Daily Papers

The choice of batch sizes in stochastic gradient optimizers is critical for model training. However, the practice of varying batch sizes throughout the training process is less explored compared to other hyperparameters. We investigate adaptive batch size strategies derived from adaptive sampling methods, traditionally applied only in stochastic gradient descent. Given the significant interplay between learning rates and batch sizes, and considering the prevalence of adaptive gradient methods in deep learning, we emphasize the need for adaptive batch size strategies in these contexts. We introduce AdAdaGrad and its scalar variant AdAdaGradNorm, which incrementally increase batch sizes during training, while model updates are performed using AdaGrad and AdaGradNorm. We prove that AdaGradNorm converges with high probability at a rate of O(1/K) for finding a first-order stationary point of smooth nonconvex functions within K iterations. AdaGrad also demonstrates similar convergence properties when integrated with a novel coordinate-wise variant of our adaptive batch size strategies. Our theoretical claims are supported by numerical experiments on various image classification tasks, highlighting the enhanced adaptability of progressive batching protocols in deep learning and the potential of such adaptive batch size strategies with adaptive gradient optimizers in large-scale model training.

This paper provides the first tight convergence analyses for RMSProp and Adam in non-convex optimization under the most relaxed assumptions of coordinate-wise generalized smoothness and affine noise variance. We first analyze RMSProp, which is a special case of Adam with adaptive learning rates but without first-order momentum. Specifically, to solve the challenges due to dependence among adaptive update, unbounded gradient estimate and Lipschitz constant, we demonstrate that the first-order term in the descent lemma converges and its denominator is upper bounded by a function of gradient norm. Based on this result, we show that RMSProp with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). We then generalize our analysis to Adam, where the additional challenge is due to a mismatch between the gradient and first-order momentum. We develop a new upper bound on the first-order term in the descent lemma, which is also a function of the gradient norm. We show that Adam with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). Our complexity results for both RMSProp and Adam match with the complexity lower bound established in arjevani2023lower.

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~a Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We prove a faster linear convergence result when a Polyak-{\L}ojasiewicz (P{\L}) condition holds. To our knowledge, this work is the first to provide non-asymptotic convergence guarantees -- variance-reduced or not -- for a cyclic block coordinate method in general composite (smooth + nonsmooth) nonconvex settings. Our experimental results demonstrate the efficacy of the proposed cyclic scheme in training deep neural nets.

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

Genome-wide association study (GWAS) tests single nucleotide polymorphism (SNP) markers across the genome to localize the underlying causal variant of a trait. Because causal variants are seldom observed directly, a surrogate model based on genotyped markers are widely considered. Although many methods estimating the parameters of the surrogate model have been proposed, the connection between the surrogate model and the true causal model is yet investigated. In this work, we establish the connection between the surrogate model and the true causal model. The connection shows that population structure is accounted in GWAS by modelling the variant of interest and not the trait. Such observation explains how environmental confounding can be partially corrected using genetic covariates and why the previously claimed connection between PC correction and linear mixed models is incorrect.

Learning-based visual localization methods that use scene coordinate regression (SCR) offer the advantage of smaller map sizes. However, on datasets with complex illumination changes or image-level ambiguities, it remains a less robust alternative to feature matching methods. This work aims to close the gap. We introduce a covisibility graph-based global encoding learning and data augmentation strategy, along with a depth-adjusted reprojection loss to facilitate implicit triangulation. Additionally, we revisit the network architecture and local feature extraction module. Our method achieves state-of-the-art on challenging large-scale datasets without relying on network ensembles or 3D supervision. On Aachen Day-Night, we are 10times more accurate than previous SCR methods with similar map sizes and require at least 5times smaller map sizes than any other SCR method while still delivering superior accuracy. Code will be available at: https://github.com/cvg/scrstudio .

Tucker decomposition is a powerful tensor model to handle multi-aspect data. It demonstrates the low-rank property by decomposing the grid-structured data as interactions between a core tensor and a set of object representations (factors). A fundamental assumption of such decomposition is that there are finite objects in each aspect or mode, corresponding to discrete indexes of data entries. However, real-world data is often not naturally posed in this setting. For example, geographic data is represented as continuous indexes of latitude and longitude coordinates, and cannot fit tensor models directly. To generalize Tucker decomposition to such scenarios, we propose Functional Bayesian Tucker Decomposition (FunBaT). We treat the continuous-indexed data as the interaction between the Tucker core and a group of latent functions. We use Gaussian processes (GP) as functional priors to model the latent functions. Then, we convert each GP into a state-space prior by constructing an equivalent stochastic differential equation (SDE) to reduce computational cost. An efficient inference algorithm is developed for scalable posterior approximation based on advanced message-passing techniques. The advantage of our method is shown in both synthetic data and several real-world applications. We release the code of FunBaT at https://github.com/xuangu-fang/Functional-Bayesian-Tucker-Decomposition.

Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as geometric graphs, i.e., graphs with nodes positioned in the Euclidean space given an arbitrarily chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as Galilean invariance. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate frames per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate frames allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate that the proposed approach comfortably outperforms the recent state-of-the-art.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

We introduce Cosmos-Transfer, a conditional world generation model that can generate world simulations based on multiple spatial control inputs of various modalities such as segmentation, depth, and edge. In the design, the spatial conditional scheme is adaptive and customizable. It allows weighting different conditional inputs differently at different spatial locations. This enables highly controllable world generation and finds use in various world-to-world transfer use cases, including Sim2Real. We conduct extensive evaluations to analyze the proposed model and demonstrate its applications for Physical AI, including robotics Sim2Real and autonomous vehicle data enrichment. We further demonstrate an inference scaling strategy to achieve real-time world generation with an NVIDIA GB200 NVL72 rack. To help accelerate research development in the field, we open-source our models and code at https://github.com/nvidia-cosmos/cosmos-transfer1.

Neural fields, mapping low-dimensional input coordinates to corresponding signals, have shown promising results in representing various signals. Numerous methodologies have been proposed, and techniques employing MLPs and grid representations have achieved substantial success. MLPs allow compact and high expressibility, yet often suffer from spectral bias and slow convergence speed. On the other hand, methods using grids are free from spectral bias and achieve fast training speed, however, at the expense of high spatial complexity. In this work, we propose a novel way for exploiting both MLPs and grid representations in neural fields. Unlike the prevalent methods that combine them sequentially (extract features from the grids first and feed them to the MLP), we inject spectral bias-free grid representations into the intermediate features in the MLP. More specifically, we suggest a Coordinate-Aware Modulation (CAM), which modulates the intermediate features using scale and shift parameters extracted from the grid representations. This can maintain the strengths of MLPs while mitigating any remaining potential biases, facilitating the rapid learning of high-frequency components. In addition, we empirically found that the feature normalizations, which have not been successful in neural filed literature, proved to be effective when applied in conjunction with the proposed CAM. Experimental results demonstrate that CAM enhances the performance of neural representation and improves learning stability across a range of signals. Especially in the novel view synthesis task, we achieved state-of-the-art performance with the least number of parameters and fast training speed for dynamic scenes and the best performance under 1MB memory for static scenes. CAM also outperforms the best-performing video compression methods using neural fields by a large margin.

Scene coordinate regression (SCR) methods are a family of visual localization methods that directly regress 2D-3D matches for camera pose estimation. They are effective in small-scale scenes but face significant challenges in large-scale scenes that are further amplified in the absence of ground truth 3D point clouds for supervision. Here, the model can only rely on reprojection constraints and needs to implicitly triangulate the points. The challenges stem from a fundamental dilemma: The network has to be invariant to observations of the same landmark at different viewpoints and lighting conditions, etc., but at the same time discriminate unrelated but similar observations. The latter becomes more relevant and severe in larger scenes. In this work, we tackle this problem by introducing the concept of co-visibility to the network. We propose GLACE, which integrates pre-trained global and local encodings and enables SCR to scale to large scenes with only a single small-sized network. Specifically, we propose a novel feature diffusion technique that implicitly groups the reprojection constraints with co-visibility and avoids overfitting to trivial solutions. Additionally, our position decoder parameterizes the output positions for large-scale scenes more effectively. Without using 3D models or depth maps for supervision, our method achieves state-of-the-art results on large-scale scenes with a low-map-size model. On Cambridge landmarks, with a single model, we achieve 17% lower median position error than Poker, the ensemble variant of the state-of-the-art SCR method ACE. Code is available at: https://github.com/cvg/glace.

We tackle the problem of estimating a Manhattan frame, i.e. three orthogonal vanishing points, and the unknown focal length of the camera, leveraging a prior vertical direction. The direction can come from an Inertial Measurement Unit that is a standard component of recent consumer devices, e.g., smartphones. We provide an exhaustive analysis of minimal line configurations and derive two new 2-line solvers, one of which does not suffer from singularities affecting existing solvers. Additionally, we design a new non-minimal method, running on an arbitrary number of lines, to boost the performance in local optimization. Combining all solvers in a hybrid robust estimator, our method achieves increased accuracy even with a rough prior. Experiments on synthetic and real-world datasets demonstrate the superior accuracy of our method compared to the state of the art, while having comparable runtimes. We further demonstrate the applicability of our solvers for relative rotation estimation. The code is available at https://github.com/cvg/VP-Estimation-with-Prior-Gravity.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

The total variation (TV)-seminorm is considered for piecewise polynomial, globally discontinuous (DG) and continuous (CG) finite element functions on simplicial meshes. A novel, discrete variant (DTV) based on a nodal quadrature formula is defined. DTV has favorable properties, compared to the original TV-seminorm for finite element functions. These include a convenient dual representation in terms of the supremum over the space of Raviart--Thomas finite element functions, subject to a set of simple constraints. It can therefore be shown that a variety of algorithms for classical image reconstruction problems, including TV-L^2 and TV-L^1, can be implemented in low and higher-order finite element spaces with the same efficiency as their counterparts originally developed for images on Cartesian grids.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are E(3) equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are E(3) equivariant, to accommodate inputs made of multiple parts, each of which exhibits local E(3) symmetry. In practical settings, however, the partitioning into individually transforming regions is unknown a priori. Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-E(3) equivariant point networks. Our primary insight is that functions that are equivariant with respect to a finer partition will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a design where the equivariance approximation error at each layers can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one. We demonstrate the effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise E(3) symmetry into network design, showing a distinct improvement in generalization compared to prior works for both classification and segmentation tasks.

We propose a new localized inference algorithm for answering marginalization queries in large graphical models with the correlation decay property. Given a query variable and a large graphical model, we define a much smaller model in a local region around the query variable in the target model so that the marginal distribution of the query variable can be accurately approximated. We introduce two approximation error bounds based on the Dobrushin's comparison theorem and apply our bounds to derive a greedy expansion algorithm that efficiently guides the selection of neighbor nodes for localized inference. We verify our theoretical bounds on various datasets and demonstrate that our localized inference algorithm can provide fast and accurate approximation for large graphical models.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

Learning feature representations of geographical space is vital for any machine learning model that integrates geolocated data, spanning application domains such as remote sensing, ecology, or epidemiology. Recent work mostly embeds coordinates using sine and cosine projections based on Double Fourier Sphere (DFS) features -- these embeddings assume a rectangular data domain even on global data, which can lead to artifacts, especially at the poles. At the same time, relatively little attention has been paid to the exact design of the neural network architectures these functional embeddings are combined with. This work proposes a novel location encoder for globally distributed geographic data that combines spherical harmonic basis functions, natively defined on spherical surfaces, with sinusoidal representation networks (SirenNets) that can be interpreted as learned Double Fourier Sphere embedding. We systematically evaluate the cross-product of positional embeddings and neural network architectures across various classification and regression benchmarks and synthetic evaluation datasets. In contrast to previous approaches that require the combination of both positional encoding and neural networks to learn meaningful representations, we show that both spherical harmonics and sinusoidal representation networks are competitive on their own but set state-of-the-art performances across tasks when combined. We provide source code at www.github.com/marccoru/locationencoder

Coordinate networks are widely used in computer vision due to their ability to represent signals as compressed, continuous entities. However, training these networks with first-order optimizers can be slow, hindering their use in real-time applications. Recent works have opted for shallow voxel-based representations to achieve faster training, but this sacrifices memory efficiency. This work proposes a solution that leverages second-order optimization methods to significantly reduce training times for coordinate networks while maintaining their compressibility. Experiments demonstrate the effectiveness of this approach on various signal modalities, such as audio, images, videos, shape reconstruction, and neural radiance fields.

Coarse architectural models are often generated at scales ranging from individual buildings to scenes for downstream applications such as Digital Twin City, Metaverse, LODs, etc. Such piece-wise planar models can be abstracted as twins from 3D dense reconstructions. However, these models typically lack realistic texture relative to the real building or scene, making them unsuitable for vivid display or direct reference. In this paper, we present TwinTex, the first automatic texture mapping framework to generate a photo-realistic texture for a piece-wise planar proxy. Our method addresses most challenges occurring in such twin texture generation. Specifically, for each primitive plane, we first select a small set of photos with greedy heuristics considering photometric quality, perspective quality and facade texture completeness. Then, different levels of line features (LoLs) are extracted from the set of selected photos to generate guidance for later steps. With LoLs, we employ optimization algorithms to align texture with geometry from local to global. Finally, we fine-tune a diffusion model with a multi-mask initialization component and a new dataset to inpaint the missing region. Experimental results on many buildings, indoor scenes and man-made objects of varying complexity demonstrate the generalization ability of our algorithm. Our approach surpasses state-of-the-art texture mapping methods in terms of high-fidelity quality and reaches a human-expert production level with much less effort. Project page: https://vcc.tech/research/2023/TwinTex.

It is inherently ambiguous to lift 2D results from pre-trained diffusion models to a 3D world for text-to-3D generation. 2D diffusion models solely learn view-agnostic priors and thus lack 3D knowledge during the lifting, leading to the multi-view inconsistency problem. We find that this problem primarily stems from geometric inconsistency, and avoiding misplaced geometric structures substantially mitigates the problem in the final outputs. Therefore, we improve the consistency by aligning the 2D geometric priors in diffusion models with well-defined 3D shapes during the lifting, addressing the vast majority of the problem. This is achieved by fine-tuning the 2D diffusion model to be viewpoint-aware and to produce view-specific coordinate maps of canonically oriented 3D objects. In our process, only coarse 3D information is used for aligning. This "coarse" alignment not only resolves the multi-view inconsistency in geometries but also retains the ability in 2D diffusion models to generate detailed and diversified high-quality objects unseen in the 3D datasets. Furthermore, our aligned geometric priors (AGP) are generic and can be seamlessly integrated into various state-of-the-art pipelines, obtaining high generalizability in terms of unseen shapes and visual appearance while greatly alleviating the multi-view inconsistency problem. Our method represents a new state-of-the-art performance with an 85+% consistency rate by human evaluation, while many previous methods are around 30%. Our project page is https://sweetdreamer3d.github.io/

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.

Coordinate-based neural representations have shown significant promise as an alternative to discrete, array-based representations for complex low dimensional signals. However, optimizing a coordinate-based network from randomly initialized weights for each new signal is inefficient. We propose applying standard meta-learning algorithms to learn the initial weight parameters for these fully-connected networks based on the underlying class of signals being represented (e.g., images of faces or 3D models of chairs). Despite requiring only a minor change in implementation, using these learned initial weights enables faster convergence during optimization and can serve as a strong prior over the signal class being modeled, resulting in better generalization when only partial observations of a given signal are available. We explore these benefits across a variety of tasks, including representing 2D images, reconstructing CT scans, and recovering 3D shapes and scenes from 2D image observations.

Graph neural networks that model 3D data, such as point clouds or atoms, are typically desired to be SO(3) equivariant, i.e., equivariant to 3D rotations. Unfortunately equivariant convolutions, which are a fundamental operation for equivariant networks, increase significantly in computational complexity as higher-order tensors are used. In this paper, we address this issue by reducing the SO(3) convolutions or tensor products to mathematically equivalent convolutions in SO(2) . This is accomplished by aligning the node embeddings' primary axis with the edge vectors, which sparsifies the tensor product and reduces the computational complexity from O(L^6) to O(L^3), where L is the degree of the representation. We demonstrate the potential implications of this improvement by proposing the Equivariant Spherical Channel Network (eSCN), a graph neural network utilizing our novel approach to equivariant convolutions, which achieves state-of-the-art results on the large-scale OC-20 and OC-22 datasets.

Crystal Structure Prediction (CSP) is crucial in various scientific disciplines. While CSP can be addressed by employing currently-prevailing generative models (e.g. diffusion models), this task encounters unique challenges owing to the symmetric geometry of crystal structures -- the invariance of translation, rotation, and periodicity. To incorporate the above symmetries, this paper proposes DiffCSP, a novel diffusion model to learn the structure distribution from stable crystals. To be specific, DiffCSP jointly generates the lattice and atom coordinates for each crystal by employing a periodic-E(3)-equivariant denoising model, to better model the crystal geometry. Notably, different from related equivariant generative approaches, DiffCSP leverages fractional coordinates other than Cartesian coordinates to represent crystals, remarkably promoting the diffusion and the generation process of atom positions. Extensive experiments verify that our DiffCSP significantly outperforms existing CSP methods, with a much lower computation cost in contrast to DFT-based methods. Moreover, the superiority of DiffCSP is also observed when it is extended for ab initio crystal generation.

When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

Novel view synthesis has advanced significantly with the development of neural radiance fields (NeRF) and 3D Gaussian splatting (3DGS). However, achieving high quality without compromising real-time rendering remains challenging, particularly for physically-based ray tracing with view-dependent effects. Recently, N-dimensional Gaussians (N-DG) introduced a 6D spatial-angular representation to better incorporate view-dependent effects, but the Gaussian representation and control scheme are sub-optimal. In this paper, we revisit 6D Gaussians and introduce 6D Gaussian Splatting (6DGS), which enhances color and opacity representations and leverages the additional directional information in the 6D space for optimized Gaussian control. Our approach is fully compatible with the 3DGS framework and significantly improves real-time radiance field rendering by better modeling view-dependent effects and fine details. Experiments demonstrate that 6DGS significantly outperforms 3DGS and N-DG, achieving up to a 15.73 dB improvement in PSNR with a reduction of 66.5% Gaussian points compared to 3DGS. The project page is: https://gaozhongpai.github.io/6dgs/

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

Real-time rendering of dynamic scenes with view-dependent effects remains a fundamental challenge in computer graphics. While recent advances in Gaussian Splatting have shown promising results separately handling dynamic scenes (4DGS) and view-dependent effects (6DGS), no existing method unifies these capabilities while maintaining real-time performance. We present 7D Gaussian Splatting (7DGS), a unified framework representing scene elements as seven-dimensional Gaussians spanning position (3D), time (1D), and viewing direction (3D). Our key contribution is an efficient conditional slicing mechanism that transforms 7D Gaussians into view- and time-conditioned 3D Gaussians, maintaining compatibility with existing 3D Gaussian Splatting pipelines while enabling joint optimization. Experiments demonstrate that 7DGS outperforms prior methods by up to 7.36 dB in PSNR while achieving real-time rendering (401 FPS) on challenging dynamic scenes with complex view-dependent effects. The project page is: https://gaozhongpai.github.io/7dgs/.

Simultaneous localization and mapping (SLAM) technology now has photorealistic mapping capabilities thanks to the real-time high-fidelity rendering capability of 3D Gaussian splatting (3DGS). However, due to the static representation of scenes, current 3DGS-based SLAM encounters issues with pose drift and failure to reconstruct accurate maps in dynamic environments. To address this problem, we present D4DGS-SLAM, the first SLAM method based on 4DGS map representation for dynamic environments. By incorporating the temporal dimension into scene representation, D4DGS-SLAM enables high-quality reconstruction of dynamic scenes. Utilizing the dynamics-aware InfoModule, we can obtain the dynamics, visibility, and reliability of scene points, and filter stable static points for tracking accordingly. When optimizing Gaussian points, we apply different isotropic regularization terms to Gaussians with varying dynamic characteristics. Experimental results on real-world dynamic scene datasets demonstrate that our method outperforms state-of-the-art approaches in both camera pose tracking and map quality.

Safety performance evaluation is critical for developing and deploying connected and automated vehicles (CAVs). One prevailing way is to design testing scenarios using prior knowledge of CAVs, test CAVs in these scenarios, and then evaluate their safety performances. However, significant differences between CAVs and prior knowledge could severely reduce the evaluation efficiency. Towards addressing this issue, most existing studies focus on the adaptive design of testing scenarios during the CAV testing process, but so far they cannot be applied to high-dimensional scenarios. In this paper, we focus on the adaptive safety performance evaluation by leveraging the testing results, after the CAV testing process. It can significantly improve the evaluation efficiency and be applied to high-dimensional scenarios. Specifically, instead of directly evaluating the unknown quantity (e.g., crash rates) of CAV safety performances, we evaluate the differences between the unknown quantity and known quantity (i.e., control variates). By leveraging the testing results, the control variates could be well designed and optimized such that the differences are close to zero, so the evaluation variance could be dramatically reduced for different CAVs. To handle the high-dimensional scenarios, we propose the sparse control variates method, where the control variates are designed only for the sparse and critical variables of scenarios. According to the number of critical variables in each scenario, the control variates are stratified into strata and optimized within each stratum using multiple linear regression techniques. We justify the proposed method's effectiveness by rigorous theoretical analysis and empirical study of high-dimensional overtaking scenarios.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

3D Gaussian Splatting (3D-GS) has recently attracted great attention with real-time and photo-realistic renderings. This technique typically takes perspective images as input and optimizes a set of 3D elliptical Gaussians by splatting them onto the image planes, resulting in 2D Gaussians. However, applying 3D-GS to panoramic inputs presents challenges in effectively modeling the projection onto the spherical surface of {360^circ} images using 2D Gaussians. In practical applications, input panoramas are often sparse, leading to unreliable initialization of 3D Gaussians and subsequent degradation of 3D-GS quality. In addition, due to the under-constrained geometry of texture-less planes (e.g., walls and floors), 3D-GS struggles to model these flat regions with elliptical Gaussians, resulting in significant floaters in novel views. To address these issues, we propose 360-GS, a novel 360^{circ} Gaussian splatting for a limited set of panoramic inputs. Instead of splatting 3D Gaussians directly onto the spherical surface, 360-GS projects them onto the tangent plane of the unit sphere and then maps them to the spherical projections. This adaptation enables the representation of the projection using Gaussians. We guide the optimization of 360-GS by exploiting layout priors within panoramas, which are simple to obtain and contain strong structural information about the indoor scene. Our experimental results demonstrate that 360-GS allows panoramic rendering and outperforms state-of-the-art methods with fewer artifacts in novel view synthesis, thus providing immersive roaming in indoor scenarios.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose SurCo that learns linear text{Sur}rogate costs which can be used in existing text{Co}mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three SurCo variants: SurCo-zero for individual nonlinear problems, SurCo-prior for problem distributions, and SurCo-hybrid to combine both distribution and problem-specific information. We give theoretical intuition motivating SurCo, and evaluate it empirically. Experiments show that SurCo finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Approximations to Gaussian processes based on inducing variables, combined with variational inference techniques, enable state-of-the-art sparse approaches to infer GPs at scale through mini batch-based learning. In this work, we address one limitation of sparse GPs, which is due to the challenge in dealing with a large number of inducing variables without imposing a special structure on the inducing inputs. In particular, we introduce a novel hierarchical prior, which imposes sparsity on the set of inducing variables. We treat our model variationally, and we experimentally show considerable computational gains compared to standard sparse GPs when sparsity on the inducing variables is realized considering the nearest inducing inputs of a random mini-batch of the data. We perform an extensive experimental validation that demonstrates the effectiveness of our approach compared to the state-of-the-art. Our approach enables the possibility to use sparse GPs using a large number of inducing points without incurring a prohibitive computational cost.

We introduce Z-SASLM, a Zero-Shot Style-Aligned SLI (Spherical Linear Interpolation) Blending Latent Manipulation pipeline that overcomes the limitations of current multi-style blending methods. Conventional approaches rely on linear blending, assuming a flat latent space leading to suboptimal results when integrating multiple reference styles. In contrast, our framework leverages the non-linear geometry of the latent space by using SLI Blending to combine weighted style representations. By interpolating along the geodesic on the hypersphere, Z-SASLM preserves the intrinsic structure of the latent space, ensuring high-fidelity and coherent blending of diverse styles - all without the need for fine-tuning. We further propose a new metric, Weighted Multi-Style DINO ViT-B/8, designed to quantitatively evaluate the consistency of the blended styles. While our primary focus is on the theoretical and practical advantages of SLI Blending for style manipulation, we also demonstrate its effectiveness in a multi-modal content fusion setting through comprehensive experimental studies. Experimental results show that Z-SASLM achieves enhanced and robust style alignment. The implementation code can be found at: https://github.com/alessioborgi/Z-SASLM.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

Multiple types of inference are available for probabilistic graphical models, e.g., marginal, maximum-a-posteriori, and even marginal maximum-a-posteriori. Which one do researchers mean when they talk about ``planning as inference''? There is no consistency in the literature, different types are used, and their ability to do planning is further entangled with specific approximations or additional constraints. In this work we use the variational framework to show that, just like all commonly used types of inference correspond to different weightings of the entropy terms in the variational problem, planning corresponds exactly to a different set of weights. This means that all the tricks of variational inference are readily applicable to planning. We develop an analogue of loopy belief propagation that allows us to perform approximate planning in factored-state Markov decisions processes without incurring intractability due to the exponentially large state space. The variational perspective shows that the previous types of inference for planning are only adequate in environments with low stochasticity, and allows us to characterize each type by its own merits, disentangling the type of inference from the additional approximations that its practical use requires. We validate these results empirically on synthetic MDPs and tasks posed in the International Planning Competition.

In recent years, huge progress has been made on learning neural implicit representations from multi-view images for 3D reconstruction. As an additional input complementing coordinates, using sinusoidal functions as positional encodings plays a key role in revealing high frequency details with coordinate-based neural networks. However, high frequency positional encodings make the optimization unstable, which results in noisy reconstructions and artifacts in empty space. To resolve this issue in a general sense, we introduce to learn neural implicit representations with quantized coordinates, which reduces the uncertainty and ambiguity in the field during optimization. Instead of continuous coordinates, we discretize continuous coordinates into discrete coordinates using nearest interpolation among quantized coordinates which are obtained by discretizing the field in an extremely high resolution. We use discrete coordinates and their positional encodings to learn implicit functions through volume rendering. This significantly reduces the variations in the sample space, and triggers more multi-view consistency constraints on intersections of rays from different views, which enables to infer implicit function in a more effective way. Our quantized coordinates do not bring any computational burden, and can seamlessly work upon the latest methods. Our evaluations under the widely used benchmarks show our superiority over the state-of-the-art. Our code is available at https://github.com/MachinePerceptionLab/CQ-NIR.

Virtual sensing techniques allow for inferring signals at new unmonitored locations by exploiting spatio-temporal measurements coming from physical sensors at different locations. However, as the sensor coverage becomes sparse due to costs or other constraints, physical proximity cannot be used to support interpolation. In this paper, we overcome this challenge by leveraging dependencies between the target variable and a set of correlated variables (covariates) that can frequently be associated with each location of interest. From this viewpoint, covariates provide partial observability, and the problem consists of inferring values for unobserved channels by exploiting observations at other locations to learn how such variables can correlate. We introduce a novel graph-based methodology to exploit such relationships and design a graph deep learning architecture, named GgNet, implementing the framework. The proposed approach relies on propagating information over a nested graph structure that is used to learn dependencies between variables as well as locations. GgNet is extensively evaluated under different virtual sensing scenarios, demonstrating higher reconstruction accuracy compared to the state-of-the-art.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

Novel view synthesis has demonstrated impressive progress recently, with 3D Gaussian splatting (3DGS) offering efficient training time and photorealistic real-time rendering. However, reliance on Cartesian coordinates limits 3DGS's performance on distant objects, which is important for reconstructing unbounded outdoor environments. We found that, despite its ultimate simplicity, using homogeneous coordinates, a concept on the projective geometry, for the 3DGS pipeline remarkably improves the rendering accuracies of distant objects. We therefore propose Homogeneous Gaussian Splatting (HoGS) incorporating homogeneous coordinates into the 3DGS framework, providing a unified representation for enhancing near and distant objects. HoGS effectively manages both expansive spatial positions and scales particularly in outdoor unbounded environments by adopting projective geometry principles. Experiments show that HoGS significantly enhances accuracy in reconstructing distant objects while maintaining high-quality rendering of nearby objects, along with fast training speed and real-time rendering capability. Our implementations are available on our project page https://kh129.github.io/hogs/.

The Empirical Interpolation Method (EIM) is a greedy procedure that constructs approximate representations of two-variable functions in separated form. In its classical presentation, the two variables play a non-symmetric role. In this work, we give an equivalent definition of the EIM approximation, in which the two variables play symmetric roles. Then, we give a proof for the existence of this approximation, and extend it up to the convergence of the EIM, and for any norm chosen to compute the error in the greedy step. Finally, we introduce a way to compute a separated representation in the case where the number of selected values is different for each variable. In the case of a physical field measured by sensors, this is useful to discard a broken sensor while keeping the information provided by the associated selected field.

Multi-channel imaging data is a prevalent data format in scientific fields such as astronomy and biology. The structured information and the high dimensionality of these 3-D tensor data makes the analysis an intriguing but challenging topic for statisticians and practitioners. The low-rank scalar-on-tensor regression model, in particular, has received widespread attention and has been re-formulated as a tensor Gaussian Process (Tensor-GP) model with multi-linear kernel in Yu et al. (2018). In this paper, we extend the Tensor-GP model by integrating a dimensionality reduction technique, called tensor contraction, with a Tensor-GP for a scalar-on-tensor regression task with multi-channel imaging data. This is motivated by the solar flare forecasting problem with high dimensional multi-channel imaging data. We first estimate a latent, reduced-size tensor for each data tensor and then apply a multi-linear Tensor-GP on the latent tensor data for prediction. We introduce an anisotropic total-variation regularization when conducting the tensor contraction to obtain a sparse and smooth latent tensor. We then propose an alternating proximal gradient descent algorithm for estimation. We validate our approach via extensive simulation studies and applying it to the solar flare forecasting problem.

Given a K-vertex simplex in a d-dimensional space, suppose we measure n points on the simplex with noise (hence, some of the observed points fall outside the simplex). Vertex hunting is the problem of estimating the K vertices of the simplex. A popular vertex hunting algorithm is successive projection algorithm (SPA). However, SPA is observed to perform unsatisfactorily under strong noise or outliers. We propose pseudo-point SPA (pp-SPA). It uses a projection step and a denoise step to generate pseudo-points and feed them into SPA for vertex hunting. We derive error bounds for pp-SPA, leveraging on extreme value theory of (possibly) high-dimensional random vectors. The results suggest that pp-SPA has faster rates and better numerical performances than SPA. Our analysis includes an improved non-asymptotic bound for the original SPA, which is of independent interest.

Developing equivariant neural networks for the E(3) group plays an important role in modeling 3D data across real-world applications. Enforcing this equivariance primarily involves the tensor products of irreducible representations (irreps). However, the computational complexity of such operations increases significantly as higher-order tensors are used. In this work, we propose a systematic approach to substantially accelerate the computation of the tensor products of irreps. We mathematically connect the commonly used Clebsch-Gordan coefficients to the Gaunt coefficients, which are integrals of products of three spherical harmonics. Through Gaunt coefficients, the tensor product of irreps becomes equivalent to the multiplication between spherical functions represented by spherical harmonics. This perspective further allows us to change the basis for the equivariant operations from spherical harmonics to a 2D Fourier basis. Consequently, the multiplication between spherical functions represented by a 2D Fourier basis can be efficiently computed via the convolution theorem and Fast Fourier Transforms. This transformation reduces the complexity of full tensor products of irreps from O(L^6) to O(L^3), where L is the max degree of irreps. Leveraging this approach, we introduce the Gaunt Tensor Product, which serves as a new method to construct efficient equivariant operations across different model architectures. Our experiments on the Open Catalyst Project and 3BPA datasets demonstrate both the increased efficiency and improved performance of our approach.

Recent advances in fast sampling methods for diffusion models have demonstrated significant potential to accelerate generation on image modalities. We apply these methods to 3-dimensional molecular conformations by building on the recently introduced GeoLDM equivariant latent diffusion model (Xu et al., 2023). We evaluate trade-offs between speed gains and quality loss, as measured by molecular conformation structural stability. We introduce Equivariant Latent Progressive Distillation, a fast sampling algorithm that preserves geometric equivariance and accelerates generation from latent diffusion models. Our experiments demonstrate up to 7.5x gains in sampling speed with limited degradation in molecular stability. These results suggest this accelerated sampling method has strong potential for high-throughput in silico molecular conformations screening in computational biochemistry, drug discovery, and life sciences applications.

Partial correlations quantify linear association between two variables adjusting for the influence of the remaining variables. They form the backbone for graphical models and are readily obtained from the inverse of the covariance matrix. For compositional data, the covariance structure is specified from log ratios of variables, so unless we try to "open" the data via a normalization, this implies changes in the definition and interpretation of partial correlations. In the present work, we elucidate how results derived by Aitchison (1986) lead to a natural definition of partial correlation that has a number of advantages over current measures of association. For this, we show that the residuals of log-ratios between a variable with a reference, when adjusting for all remaining variables including the reference, are reference-independent. Since the reference itself can be controlled for, correlations between residuals are defined for the variables directly without the necessity to recur to ratios except when specifying which variables are partialled out. Thus, perhaps surprisingly, partial correlations do not have the problems commonly found with measures of pairwise association on compositional data. They are well-defined between two variables, are properly scaled, and allow for negative association. By design, they are subcompositionally incoherent, but they share this property with conventional partial correlations (where results change when adjusting for the influence of fewer variables). We discuss the equivalence with normalization-based approaches whenever the normalizing variables are controlled for. We also discuss the partial variances and correlations we obtain from a previously studied data set of Roman glass cups.

Score-based generative modeling, informally referred to as diffusion models, continue to grow in popularity across several important domains and tasks. While they provide high-quality and diverse samples from empirical distributions, important questions remain on the reliability and trustworthiness of these sampling procedures for their responsible use in critical scenarios. Conformal prediction is a modern tool to construct finite-sample, distribution-free uncertainty guarantees for any black-box predictor. In this work, we focus on image-to-image regression tasks and we present a generalization of the Risk-Controlling Prediction Sets (RCPS) procedure, that we term K-RCPS, which allows to (i) provide entrywise calibrated intervals for future samples of any diffusion model, and (ii) control a certain notion of risk with respect to a ground truth image with minimal mean interval length. Differently from existing conformal risk control procedures, ours relies on a novel convex optimization approach that allows for multidimensional risk control while provably minimizing the mean interval length. We illustrate our approach on two real-world image denoising problems: on natural images of faces as well as on computed tomography (CT) scans of the abdomen, demonstrating state of the art performance.

From a single image, visual cues can help deduce intrinsic and extrinsic camera parameters like the focal length and the gravity direction. This single-image calibration can benefit various downstream applications like image editing and 3D mapping. Current approaches to this problem are based on either classical geometry with lines and vanishing points or on deep neural networks trained end-to-end. The learned approaches are more robust but struggle to generalize to new environments and are less accurate than their classical counterparts. We hypothesize that they lack the constraints that 3D geometry provides. In this work, we introduce GeoCalib, a deep neural network that leverages universal rules of 3D geometry through an optimization process. GeoCalib is trained end-to-end to estimate camera parameters and learns to find useful visual cues from the data. Experiments on various benchmarks show that GeoCalib is more robust and more accurate than existing classical and learned approaches. Its internal optimization estimates uncertainties, which help flag failure cases and benefit downstream applications like visual localization. The code and trained models are publicly available at https://github.com/cvg/GeoCalib.

The increasing demand for virtual reality applications has highlighted the significance of crafting immersive 3D assets. We present a text-to-3D 360^{circ} scene generation pipeline that facilitates the creation of comprehensive 360^{circ} scenes for in-the-wild environments in a matter of minutes. Our approach utilizes the generative power of a 2D diffusion model and prompt self-refinement to create a high-quality and globally coherent panoramic image. This image acts as a preliminary "flat" (2D) scene representation. Subsequently, it is lifted into 3D Gaussians, employing splatting techniques to enable real-time exploration. To produce consistent 3D geometry, our pipeline constructs a spatially coherent structure by aligning the 2D monocular depth into a globally optimized point cloud. This point cloud serves as the initial state for the centroids of 3D Gaussians. In order to address invisible issues inherent in single-view inputs, we impose semantic and geometric constraints on both synthesized and input camera views as regularizations. These guide the optimization of Gaussians, aiding in the reconstruction of unseen regions. In summary, our method offers a globally consistent 3D scene within a 360^{circ} perspective, providing an enhanced immersive experience over existing techniques. Project website at: http://dreamscene360.github.io/

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their topologies and weights. Although its capability across various challenges is evident, the algorithm's computational efficiency remains an impediment, limiting its scalability potential. In response, this paper introduces a tensorization method for the NEAT algorithm, enabling the transformation of its diverse network topologies and associated operations into uniformly shaped tensors for computation. This advancement facilitates the execution of the NEAT algorithm in a parallelized manner across the entire population. Furthermore, we develop TensorNEAT, a library that implements the tensorized NEAT algorithm and its variants, such as CPPN and HyperNEAT. Building upon JAX, TensorNEAT promotes efficient parallel computations via automated function vectorization and hardware acceleration. Moreover, the TensorNEAT library supports various benchmark environments including Gym, Brax, and gymnax. Through evaluations across a spectrum of robotics control environments in Brax, TensorNEAT achieves up to 500x speedups compared to the existing implementations such as NEAT-Python. Source codes are available at: https://github.com/EMI-Group/tensorneat.

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

We present GeoSynth, a model for synthesizing satellite images with global style and image-driven layout control. The global style control is via textual prompts or geographic location. These enable the specification of scene semantics or regional appearance respectively, and can be used together. We train our model on a large dataset of paired satellite imagery, with automatically generated captions, and OpenStreetMap data. We evaluate various combinations of control inputs, including different types of layout controls. Results demonstrate that our model can generate diverse, high-quality images and exhibits excellent zero-shot generalization. The code and model checkpoints are available at https://github.com/mvrl/GeoSynth.

X-ray is widely applied for transmission imaging due to its stronger penetration than natural light. When rendering novel view X-ray projections, existing methods mainly based on NeRF suffer from long training time and slow inference speed. In this paper, we propose a 3D Gaussian splatting-based framework, namely X-Gaussian, for X-ray novel view synthesis. Firstly, we redesign a radiative Gaussian point cloud model inspired by the isotropic nature of X-ray imaging. Our model excludes the influence of view direction when learning to predict the radiation intensity of 3D points. Based on this model, we develop a Differentiable Radiative Rasterization (DRR) with CUDA implementation. Secondly, we customize an Angle-pose Cuboid Uniform Initialization (ACUI) strategy that directly uses the parameters of the X-ray scanner to compute the camera information and then uniformly samples point positions within a cuboid enclosing the scanned object. Experiments show that our X-Gaussian outperforms state-of-the-art methods by 6.5 dB while enjoying less than 15% training time and over 73x inference speed. The application on sparse-view CT reconstruction also reveals the practical values of our method. Code and models will be publicly available at https://github.com/caiyuanhao1998/X-Gaussian . A video demo of the training process visualization is at https://www.youtube.com/watch?v=gDVf_Ngeghg .

We address the task of estimating camera parameters from a set of images depicting a scene. Popular feature-based structure-from-motion (SfM) tools solve this task by incremental reconstruction: they repeat triangulation of sparse 3D points and registration of more camera views to the sparse point cloud. We re-interpret incremental structure-from-motion as an iterated application and refinement of a visual relocalizer, that is, of a method that registers new views to the current state of the reconstruction. This perspective allows us to investigate alternative visual relocalizers that are not rooted in local feature matching. We show that scene coordinate regression, a learning-based relocalization approach, allows us to build implicit, neural scene representations from unposed images. Different from other learning-based reconstruction methods, we do not require pose priors nor sequential inputs, and we optimize efficiently over thousands of images. Our method, ACE0 (ACE Zero), estimates camera poses to an accuracy comparable to feature-based SfM, as demonstrated by novel view synthesis. Project page: https://nianticlabs.github.io/acezero/

Four-dimensional computed tomography (4D CT) reconstruction is crucial for capturing dynamic anatomical changes but faces inherent limitations from conventional phase-binning workflows. Current methods discretize temporal resolution into fixed phases with respiratory gating devices, introducing motion misalignment and restricting clinical practicality. In this paper, We propose X^2-Gaussian, a novel framework that enables continuous-time 4D-CT reconstruction by integrating dynamic radiative Gaussian splatting with self-supervised respiratory motion learning. Our approach models anatomical dynamics through a spatiotemporal encoder-decoder architecture that predicts time-varying Gaussian deformations, eliminating phase discretization. To remove dependency on external gating devices, we introduce a physiology-driven periodic consistency loss that learns patient-specific breathing cycles directly from projections via differentiable optimization. Extensive experiments demonstrate state-of-the-art performance, achieving a 9.93 dB PSNR gain over traditional methods and 2.25 dB improvement against prior Gaussian splatting techniques. By unifying continuous motion modeling with hardware-free period learning, X^2-Gaussian advances high-fidelity 4D CT reconstruction for dynamic clinical imaging. Project website at: https://x2-gaussian.github.io/.

Grid-based structures are commonly used to encode explicit features for graphics primitives such as images, signed distance functions (SDF), and neural radiance fields (NeRF) due to their simple implementation. However, in n-dimensional space, calculating the value of a sampled point requires interpolating the values of its 2^n neighboring vertices. The exponential scaling with dimension leads to significant computational overheads. To address this issue, we propose a simplex-based approach for encoding graphics primitives. The number of vertices in a simplex-based structure increases linearly with dimension, making it a more efficient and generalizable alternative to grid-based representations. Using the non-axis-aligned simplicial structure property, we derive and prove a coordinate transformation, simplicial subdivision, and barycentric interpolation scheme for efficient sampling, which resembles transformation procedures in the simplex noise algorithm. Finally, we use hash tables to store multiresolution features of all interest points in the simplicial grid, which are passed into a tiny fully connected neural network to parameterize graphics primitives. We implemented a detailed simplex-based structure encoding algorithm in C++ and CUDA using the methods outlined in our approach. In the 2D image fitting task, the proposed method is capable of fitting a giga-pixel image with 9.4% less time compared to the baseline method proposed by instant-ngp, while maintaining the same quality and compression rate. In the volumetric rendering setup, we observe a maximum 41.2% speedup when the samples are dense enough.

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

In this paper, we address the challenge of reconstructing general articulated 3D objects from a single video. Existing works employing dynamic neural radiance fields have advanced the modeling of articulated objects like humans and animals from videos, but face challenges with piece-wise rigid general articulated objects due to limitations in their deformation models. To tackle this, we propose Quasi-Rigid Blend Skinning, a novel deformation model that enhances the rigidity of each part while maintaining flexible deformation of the joints. Our primary insight combines three distinct approaches: 1) an enhanced bone rigging system for improved component modeling, 2) the use of quasi-sparse skinning weights to boost part rigidity and reconstruction fidelity, and 3) the application of geodesic point assignment for precise motion and seamless deformation. Our method outperforms previous works in producing higher-fidelity 3D reconstructions of general articulated objects, as demonstrated on both real and synthetic datasets. Project page: https://chaoyuesong.github.io/REACTO.

Many social and environmental phenomena are associated with macroscopic changes in the built environment, captured by satellite imagery on a global scale and with daily temporal resolution. While widely used for prediction, these images and especially image sequences remain underutilized for causal inference, especially in the context of randomized controlled trials (RCTs), where causal identification is established by design. In this paper, we develop and compare a set of general tools for analyzing Conditional Average Treatment Effects (CATEs) from temporal satellite data that can be applied to any RCT where geographical identifiers are available. Through a simulation study, we analyze different modeling strategies for estimating CATE in sequences of satellite images. We find that image sequence representation models with more parameters generally yield a greater ability to detect heterogeneity. To explore the role of model and data choice in practice, we apply the approaches to two influential RCTs -- Banerjee et al. (2015), a poverty study in Cusco, Peru, and Bolsen et al. (2014), a water conservation experiment in Georgia, USA. We benchmark our image sequence models against image-only, tabular-only, and combined image-tabular data sources, summarizing practical implications for investigators in a multivariate analysis. Land cover classifications over satellite images facilitate interpretation of what image features drive heterogeneity. We also show robustness to data and model choice of satellite-based generalization of the RCT results to larger geographical areas outside the original. Overall, this paper shows how satellite sequence data can be incorporated into the analysis of RCTs, and provides evidence about the implications of data, model, and evaluation metric choice for causal analysis.

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While machine learning (ML) has produced accurate and efficient CG simulations of proteins, fast and reliable backmapping remains a challenge. Rule-based methods produce poor all-atom geometries, needing computationally costly refinement through additional simulations. Recently proposed ML approaches outperform traditional baselines but are not transferable between proteins and sometimes generate unphysical atom placements with steric clashes and implausible torsion angles. This work addresses both issues to build a fast, transferable, and reliable generative backmapping tool for CG protein representations. We achieve generalization and reliability through a combined set of innovations: representation based on internal coordinates; an equivariant encoder/prior; a custom loss function that helps ensure local structure, global structure, and physical constraints; and expert curation of high-quality out-of-equilibrium protein data for training. Our results pave the way for out-of-the-box backmapping of coarse-grained simulations for arbitrary proteins.

Recent progress in neural rendering has brought forth pioneering methods, such as NeRF and Gaussian Splatting, which revolutionize view rendering across various domains like AR/VR, gaming, and content creation. While these methods excel at interpolating {\em within the training data}, the challenge of generalizing to new scenes and objects from very sparse views persists. Specifically, modeling 3D humans from sparse views presents formidable hurdles due to the inherent complexity of human geometry, resulting in inaccurate reconstructions of geometry and textures. To tackle this challenge, this paper leverages recent advancements in Gaussian Splatting and introduces a new method to learn generalizable human Gaussians that allows photorealistic and accurate view-rendering of a new human subject from a limited set of sparse views in a feed-forward manner. A pivotal innovation of our approach involves reformulating the learning of 3D Gaussian parameters into a regression process defined on the 2D UV space of a human template, which allows leveraging the strong geometry prior and the advantages of 2D convolutions. In addition, a multi-scaffold is proposed to effectively represent the offset details. Our method outperforms recent methods on both within-dataset generalization as well as cross-dataset generalization settings.

Control variates are variance reduction tools for Monte Carlo estimators. They can provide significant variance reduction, but usually require a large number of samples, which can be prohibitive when sampling or evaluating the integrand is computationally expensive. Furthermore, there are many scenarios where we need to compute multiple related integrals simultaneously or sequentially, which can further exacerbate computational costs. In this paper, we propose vector-valued control variates, an extension of control variates which can be used to reduce the variance of multiple Monte Carlo estimators jointly. This allows for the transfer of information across integration tasks, and hence reduces the need for a large number of samples. We focus on control variates based on kernel interpolants and our novel construction is obtained through a generalised Stein identity and the development of novel matrix-valued Stein reproducing kernels. We demonstrate our methodology on a range of problems including multifidelity modelling, Bayesian inference for dynamical systems, and model evidence computation through thermodynamic integration.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties for a class of structured symmetric positive-definite matrices with the affine-invariant metric. We do so by proposing a generalized version of the Riemannian normal coordinates that dynamically orthonormalizes the metric and locally converts the problem into an unconstrained problem in the Euclidean space. We use our approach to simplify existing approaches for structured covariances and develop matrix-inverse-free 2^nd-order optimizers for deep learning in low precision settings. Code: https://github.com/yorkerlin/StructuredNGD-DL

The growing body of research shows how to replace classical partial differential equation (PDE) integrators with neural networks. The popular strategy is to generate the input-output pairs with a PDE solver, train the neural network in the regression setting, and use the trained model as a cheap surrogate for the solver. The bottleneck in this scheme is the number of expensive queries of a PDE solver needed to generate the dataset. To alleviate the problem, we propose a computationally cheap augmentation strategy based on general covariance and simple random coordinate transformations. Our approach relies on the fact that physical laws are independent of the coordinate choice, so the change in the coordinate system preserves the type of a parametric PDE and only changes PDE's data (e.g., initial conditions, diffusion coefficient). For tried neural networks and partial differential equations, proposed augmentation improves test error by 23% on average. The worst observed result is a 17% increase in test error for multilayer perceptron, and the best case is a 80% decrease for dilated residual network.

Sparse-view computed tomography (CT) -- using a small number of projections for tomographic reconstruction -- enables much lower radiation dose to patients and accelerated data acquisition. The reconstructed images, however, suffer from strong artifacts, greatly limiting their diagnostic value. Current trends for sparse-view CT turn to the raw data for better information recovery. The resultant dual-domain methods, nonetheless, suffer from secondary artifacts, especially in ultra-sparse view scenarios, and their generalization to other scanners/protocols is greatly limited. A crucial question arises: have the image post-processing methods reached the limit? Our answer is not yet. In this paper, we stick to image post-processing methods due to great flexibility and propose global representation (GloRe) distillation framework for sparse-view CT, termed GloReDi. First, we propose to learn GloRe with Fourier convolution, so each element in GloRe has an image-wide receptive field. Second, unlike methods that only use the full-view images for supervision, we propose to distill GloRe from intermediate-view reconstructed images that are readily available but not explored in previous literature. The success of GloRe distillation is attributed to two key components: representation directional distillation to align the GloRe directions, and band-pass-specific contrastive distillation to gain clinically important details. Extensive experiments demonstrate the superiority of the proposed GloReDi over the state-of-the-art methods, including dual-domain ones. The source code is available at https://github.com/longzilicart/GloReDi.

Generating 3D images of complex objects conditionally from a few 2D views is a difficult synthesis problem, compounded by issues such as domain gap and geometric misalignment. For instance, a unified framework such as Generative Adversarial Networks cannot achieve this unless they explicitly define both a domain-invariant and geometric-invariant joint latent distribution, whereas Neural Radiance Fields are generally unable to handle both issues as they optimize at the pixel level. By contrast, we propose a simple and novel 2D to 3D synthesis approach based on conditional diffusion with vector-quantized codes. Operating in an information-rich code space enables high-resolution 3D synthesis via full-coverage attention across the views. Specifically, we generate the 3D codes (e.g. for CT images) conditional on previously generated 3D codes and the entire codebook of two 2D views (e.g. 2D X-rays). Qualitative and quantitative results demonstrate state-of-the-art performance over specialized methods across varied evaluation criteria, including fidelity metrics such as density, coverage, and distortion metrics for two complex volumetric imagery datasets from in real-world scenarios.

4D Gaussian Splatting (4DGS) has recently gained considerable attention as a method for reconstructing dynamic scenes. Despite achieving superior quality, 4DGS typically requires substantial storage and suffers from slow rendering speed. In this work, we delve into these issues and identify two key sources of temporal redundancy. (Q1) Short-Lifespan Gaussians: 4DGS uses a large portion of Gaussians with short temporal span to represent scene dynamics, leading to an excessive number of Gaussians. (Q2) Inactive Gaussians: When rendering, only a small subset of Gaussians contributes to each frame. Despite this, all Gaussians are processed during rasterization, resulting in redundant computation overhead. To address these redundancies, we present 4DGS-1K, which runs at over 1000 FPS on modern GPUs. For Q1, we introduce the Spatial-Temporal Variation Score, a new pruning criterion that effectively removes short-lifespan Gaussians while encouraging 4DGS to capture scene dynamics using Gaussians with longer temporal spans. For Q2, we store a mask for active Gaussians across consecutive frames, significantly reducing redundant computations in rendering. Compared to vanilla 4DGS, our method achieves a 41times reduction in storage and 9times faster rasterization speed on complex dynamic scenes, while maintaining comparable visual quality. Please see our project page at https://4DGS-1K.github.io.

We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

We study subsampling-based ridge ensembles in the proportional asymptotics regime, where the feature size grows proportionally with the sample size such that their ratio converges to a constant. By analyzing the squared prediction risk of ridge ensembles as a function of the explicit penalty lambda and the limiting subsample aspect ratio phi_s (the ratio of the feature size to the subsample size), we characterize contours in the (lambda, phi_s)-plane at any achievable risk. As a consequence, we prove that the risk of the optimal full ridgeless ensemble (fitted on all possible subsamples) matches that of the optimal ridge predictor. In addition, we prove strong uniform consistency of generalized cross-validation (GCV) over the subsample sizes for estimating the prediction risk of ridge ensembles. This allows for GCV-based tuning of full ridgeless ensembles without sample splitting and yields a predictor whose risk matches optimal ridge risk.

Conformal prediction is a theoretically grounded framework for constructing predictive intervals. We study conformal prediction with missing values in the covariates -- a setting that brings new challenges to uncertainty quantification. We first show that the marginal coverage guarantee of conformal prediction holds on imputed data for any missingness distribution and almost all imputation functions. However, we emphasize that the average coverage varies depending on the pattern of missing values: conformal methods tend to construct prediction intervals that under-cover the response conditionally to some missing patterns. This motivates our novel generalized conformalized quantile regression framework, missing data augmentation, which yields prediction intervals that are valid conditionally to the patterns of missing values, despite their exponential number. We then show that a universally consistent quantile regression algorithm trained on the imputed data is Bayes optimal for the pinball risk, thus achieving valid coverage conditionally to any given data point. Moreover, we examine the case of a linear model, which demonstrates the importance of our proposal in overcoming the heteroskedasticity induced by missing values. Using synthetic and data from critical care, we corroborate our theory and report improved performance of our methods.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

Unified visual grounding pursues a simple and generic technical route to leverage multi-task data with less task-specific design. The most advanced methods typically present boxes and masks as vertex sequences to model referring detection and segmentation as an autoregressive sequential vertex generation paradigm. However, generating high-dimensional vertex sequences sequentially is error-prone because the upstream of the sequence remains static and cannot be refined based on downstream vertex information, even if there is a significant location gap. Besides, with limited vertexes, the inferior fitting of objects with complex contours restricts the performance upper bound. To deal with this dilemma, we propose a parallel vertex generation paradigm for superior high-dimension scalability with a diffusion model by simply modifying the noise dimension. An intuitive materialization of our paradigm is Parallel Vertex Diffusion (PVD) to directly set vertex coordinates as the generation target and use a diffusion model to train and infer. We claim that it has two flaws: (1) unnormalized coordinate caused a high variance of loss value; (2) the original training objective of PVD only considers point consistency but ignores geometry consistency. To solve the first flaw, Center Anchor Mechanism (CAM) is designed to convert coordinates as normalized offset values to stabilize the training loss value. For the second flaw, Angle summation loss (ASL) is designed to constrain the geometry difference of prediction and ground truth vertexes for geometry-level consistency. Empirical results show that our PVD achieves state-of-the-art in both referring detection and segmentation, and our paradigm is more scalable and efficient than sequential vertex generation with high-dimension data.

Classifier-free guidance (CFG) is crucial for improving both generation quality and alignment between the input condition and final output in diffusion models. While a high guidance scale is generally required to enhance these aspects, it also causes oversaturation and unrealistic artifacts. In this paper, we revisit the CFG update rule and introduce modifications to address this issue. We first decompose the update term in CFG into parallel and orthogonal components with respect to the conditional model prediction and observe that the parallel component primarily causes oversaturation, while the orthogonal component enhances image quality. Accordingly, we propose down-weighting the parallel component to achieve high-quality generations without oversaturation. Additionally, we draw a connection between CFG and gradient ascent and introduce a new rescaling and momentum method for the CFG update rule based on this insight. Our approach, termed adaptive projected guidance (APG), retains the quality-boosting advantages of CFG while enabling the use of higher guidance scales without oversaturation. APG is easy to implement and introduces practically no additional computational overhead to the sampling process. Through extensive experiments, we demonstrate that APG is compatible with various conditional diffusion models and samplers, leading to improved FID, recall, and saturation scores while maintaining precision comparable to CFG, making our method a superior plug-and-play alternative to standard classifier-free guidance.

The primal sketch is a fundamental representation in Marr's vision theory, which allows for parsimonious image-level processing from 2D to 2.5D perception. This paper takes a further step by computing 3D primal sketch of wireframes from a set of images with known camera poses, in which we take the 2D wireframes in multi-view images as the basis to compute 3D wireframes in a volumetric rendering formulation. In our method, we first propose a NEural Attraction (NEAT) Fields that parameterizes the 3D line segments with coordinate Multi-Layer Perceptrons (MLPs), enabling us to learn the 3D line segments from 2D observation without incurring any explicit feature correspondences across views. We then present a novel Global Junction Perceiving (GJP) module to perceive meaningful 3D junctions from the NEAT Fields of 3D line segments by optimizing a randomly initialized high-dimensional latent array and a lightweight decoding MLP. Benefitting from our explicit modeling of 3D junctions, we finally compute the primal sketch of 3D wireframes by attracting the queried 3D line segments to the 3D junctions, significantly simplifying the computation paradigm of 3D wireframe parsing. In experiments, we evaluate our approach on the DTU and BlendedMVS datasets with promising performance obtained. As far as we know, our method is the first approach to achieve high-fidelity 3D wireframe parsing without requiring explicit matching.

We analyse the robustness of the DESI 2024 cosmological inference from fits to the full shape of the galaxy power spectrum to uncertainties in the Halo Occupation Distribution (HOD) model of the galaxy-halo connection and the choice of priors on nuisance parameters. We assess variations in the recovered cosmological parameters across a range of mocks populated with different HOD models and find that shifts are often greater than 20% of the expected statistical uncertainties from the DESI data. We encapsulate the effect of such shifts in terms of a systematic covariance term, C_{rm HOD}, and an additional diagonal contribution quantifying the impact of our choice of nuisance parameter priors on the ability of the effective field theory (EFT) model to correctly recover the cosmological parameters of the simulations. These two covariance contributions are designed to be added to the usual covariance term, C_{rm stat}, describing the statistical uncertainty in the power spectrum measurement, in order to fairly represent these sources of systematic uncertainty. This approach is more general and robust to choices of model free parameters or additional external datasets used in cosmological fits than the alternative approach of adding systematic uncertainties at the level of the recovered marginalised parameter posteriors. We compare the approaches within the context of a fixed LambdaCDM model and demonstrate that our method gives conservative estimates of the systematic uncertainty that nevertheless have little impact on the final posteriors obtained from DESI data.

In this work, instead of directly predicting the pixel-level segmentation masks, the problem of referring image segmentation is formulated as sequential polygon generation, and the predicted polygons can be later converted into segmentation masks. This is enabled by a new sequence-to-sequence framework, Polygon Transformer (PolyFormer), which takes a sequence of image patches and text query tokens as input, and outputs a sequence of polygon vertices autoregressively. For more accurate geometric localization, we propose a regression-based decoder, which predicts the precise floating-point coordinates directly, without any coordinate quantization error. In the experiments, PolyFormer outperforms the prior art by a clear margin, e.g., 5.40% and 4.52% absolute improvements on the challenging RefCOCO+ and RefCOCOg datasets. It also shows strong generalization ability when evaluated on the referring video segmentation task without fine-tuning, e.g., achieving competitive 61.5% J&F on the Ref-DAVIS17 dataset.

We present a novel method for recovering world-grounded human motion from monocular video. The main challenge lies in the ambiguity of defining the world coordinate system, which varies between sequences. Previous approaches attempt to alleviate this issue by predicting relative motion in an autoregressive manner, but are prone to accumulating errors. Instead, we propose estimating human poses in a novel Gravity-View (GV) coordinate system, which is defined by the world gravity and the camera view direction. The proposed GV system is naturally gravity-aligned and uniquely defined for each video frame, largely reducing the ambiguity of learning image-pose mapping. The estimated poses can be transformed back to the world coordinate system using camera rotations, forming a global motion sequence. Additionally, the per-frame estimation avoids error accumulation in the autoregressive methods. Experiments on in-the-wild benchmarks demonstrate that our method recovers more realistic motion in both the camera space and world-grounded settings, outperforming state-of-the-art methods in both accuracy and speed. The code is available at https://zju3dv.github.io/gvhmr/.

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose Unified Variational Auto-Encoder for 3D Molecular Latent Diffusion Modeling (UAE-3D), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both de novo and conditional 3D molecule generation, achieving leading efficiency and quality.

Learning-based outlier (mismatched correspondence) rejection for robust 3D registration generally formulates the outlier removal as an inlier/outlier classification problem. The core for this to be successful is to learn the discriminative inlier/outlier feature representations. In this paper, we develop a novel variational non-local network-based outlier rejection framework for robust alignment. By reformulating the non-local feature learning with variational Bayesian inference, the Bayesian-driven long-range dependencies can be modeled to aggregate discriminative geometric context information for inlier/outlier distinction. Specifically, to achieve such Bayesian-driven contextual dependencies, each query/key/value component in our non-local network predicts a prior feature distribution and a posterior one. Embedded with the inlier/outlier label, the posterior feature distribution is label-dependent and discriminative. Thus, pushing the prior to be close to the discriminative posterior in the training step enables the features sampled from this prior at test time to model high-quality long-range dependencies. Notably, to achieve effective posterior feature guidance, a specific probabilistic graphical model is designed over our non-local model, which lets us derive a variational low bound as our optimization objective for model training. Finally, we propose a voting-based inlier searching strategy to cluster the high-quality hypothetical inliers for transformation estimation. Extensive experiments on 3DMatch, 3DLoMatch, and KITTI datasets verify the effectiveness of our method.

In astrophysical and cosmological analyses, the increasing quality and volume of astronomical data demand efficient and precise computational tools. This work introduces a novel adaptive algorithm for automatic knots (AutoKnots) allocation in spline interpolation, designed to meet user-defined precision requirements. Unlike traditional methods that rely on manually configured knot distributions with numerous parameters, the proposed technique automatically determines the optimal number and placement of knots based on interpolation error criteria. This simplifies configuration, often requiring only a single parameter. The algorithm progressively improves the interpolation by adaptively sampling the function-to-be-approximated, f(x), in regions where the interpolation error exceeds the desired threshold. All function evaluations contribute directly to the final approximation, ensuring efficiency. While each resampling step involves recomputing the interpolation table, this process is highly optimized and usually computationally negligible compared to the cost of evaluating f(x). We show the algorithm's efficacy through a series of precision tests on different functions. However, the study underscores the necessity for caution when dealing with certain function types, notably those featuring plateaus. To address this challenge, a heuristic enhancement is incorporated, improving accuracy in flat regions. This algorithm has been extensively used and tested over the years. NumCosmo includes a comprehensive set of unit tests that rigorously evaluate the algorithm both directly and indirectly, underscoring its robustness and reliability. As a practical application, we compute the surface mass density Sigma(R) and the average surface mass density Sigma(<R) for Navarro-Frenk-White and Hernquist halo density profiles, which provide analytical benchmarks. (abridged)

Colonoscopy reconstruction is pivotal for diagnosing colorectal cancer. However, accurate long-sequence colonoscopy reconstruction faces three major challenges: (1) dissimilarity among segments of the colon due to its meandering and convoluted shape; (2) co-existence of simple and intricately folded geometry structures; (3) sparse viewpoints due to constrained camera trajectories. To tackle these challenges, we introduce a new reconstruction framework based on neural radiance field (NeRF), named ColonNeRF, which leverages neural rendering for novel view synthesis of long-sequence colonoscopy. Specifically, to reconstruct the entire colon in a piecewise manner, our ColonNeRF introduces a region division and integration module, effectively reducing shape dissimilarity and ensuring geometric consistency in each segment. To learn both the simple and complex geometry in a unified framework, our ColonNeRF incorporates a multi-level fusion module that progressively models the colon regions from easy to hard. Additionally, to overcome the challenges from sparse views, we devise a DensiNet module for densifying camera poses under the guidance of semantic consistency. We conduct extensive experiments on both synthetic and real-world datasets to evaluate our ColonNeRF. Quantitatively, ColonNeRF exhibits a 67%-85% increase in LPIPS-ALEX scores. Qualitatively, our reconstruction visualizations show much clearer textures and more accurate geometric details. These sufficiently demonstrate our superior performance over the state-of-the-art methods.

Stereo images are fundamental to numerous applications, including extended reality (XR) devices, autonomous driving, and robotics. Unfortunately, acquiring high-quality stereo images remains challenging due to the precise calibration requirements of dual-camera setups and the complexity of obtaining accurate, dense disparity maps. Existing stereo image generation methods typically focus on either visual quality for viewing or geometric accuracy for matching, but not both. We introduce GenStereo, a diffusion-based approach, to bridge this gap. The method includes two primary innovations (1) conditioning the diffusion process on a disparity-aware coordinate embedding and a warped input image, allowing for more precise stereo alignment than previous methods, and (2) an adaptive fusion mechanism that intelligently combines the diffusion-generated image with a warped image, improving both realism and disparity consistency. Through extensive training on 11 diverse stereo datasets, GenStereo demonstrates strong generalization ability. GenStereo achieves state-of-the-art performance in both stereo image generation and unsupervised stereo matching tasks. Our framework eliminates the need for complex hardware setups while enabling high-quality stereo image generation, making it valuable for both real-world applications and unsupervised learning scenarios. Project page is available at https://qjizhi.github.io/genstereo

Omnidirectional images (ODIs) have become increasingly popular, as their large field-of-view (FoV) can offer viewers the chance to freely choose the view directions in immersive environments such as virtual reality. The M\"obius transformation is typically employed to further provide the opportunity for movement and zoom on ODIs, but applying it to the image level often results in blurry effect and aliasing problem. In this paper, we propose a novel deep learning-based approach, called OmniZoomer, to incorporate the M\"obius transformation into the network for movement and zoom on ODIs. By learning various transformed feature maps under different conditions, the network is enhanced to handle the increasing edge curvatures, which alleviates the blurry effect. Moreover, to address the aliasing problem, we propose two key components. Firstly, to compensate for the lack of pixels for describing curves, we enhance the feature maps in the high-resolution (HR) space and calculate the transformed index map with a spatial index generation module. Secondly, considering that ODIs are inherently represented in the spherical space, we propose a spherical resampling module that combines the index map and HR feature maps to transform the feature maps for better spherical correlation. The transformed feature maps are decoded to output a zoomed ODI. Experiments show that our method can produce HR and high-quality ODIs with the flexibility to move and zoom in to the object of interest. Project page is available at http://vlislab22.github.io/OmniZoomer/.

Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable (latent) Diffusion models, we propose a novel and principled method for 3D molecule generation named Geometric Latent Diffusion Models (GeoLDM). GeoLDM is the first latent DM model for the molecular geometry domain, composed of autoencoders encoding structures into continuous latent codes and DMs operating in the latent space. Our key innovation is that for modeling the 3D molecular geometries, we capture its critical roto-translational equivariance constraints by building a point-structured latent space with both invariant scalars and equivariant tensors. Extensive experiments demonstrate that GeoLDM can consistently achieve better performance on multiple molecule generation benchmarks, with up to 7\% improvement for the valid percentage of large biomolecules. Results also demonstrate GeoLDM's higher capacity for controllable generation thanks to the latent modeling. Code is provided at https://github.com/MinkaiXu/GeoLDM.

To measure the difference between two probability distributions, referred to as the source and target, respectively, we exploit both the chain rule and Bayes' theorem to construct conditional transport (CT), which is constituted by both a forward component and a backward one. The forward CT is the expected cost of moving a source data point to a target one, with their joint distribution defined by the product of the source probability density function (PDF) and a source-dependent conditional distribution, which is related to the target PDF via Bayes' theorem. The backward CT is defined by reversing the direction. The CT cost can be approximated by replacing the source and target PDFs with their discrete empirical distributions supported on mini-batches, making it amenable to implicit distributions and stochastic gradient descent-based optimization. When applied to train a generative model, CT is shown to strike a good balance between mode-covering and mode-seeking behaviors and strongly resist mode collapse. On a wide variety of benchmark datasets for generative modeling, substituting the default statistical distance of an existing generative adversarial network with CT is shown to consistently improve the performance. PyTorch code is provided.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

Studies show that the model-independent, fully non-perturbative covariant cosmographic approach is suitable for analyzing the local Universe (zlesssim 0.1). However, accurately characterizing large and inhomogeneous mass distributions requires the fourth-order term in the redshift expansion of the covariant luminosity distance d_L(z,n). We calculate the covariant snap parameter S and its spherical harmonic multipole moments using the matter expansion tensor and the evolution equations for lightray bundles. The fourth-order term adds 36 degrees of freedom, since the highest independent multipole of the snap is the 32-pole (dotriacontapole) (ell=5). Including this term helps to de-bias estimations of the covariant deceleration parameter. Given that observations suggest axially symmetric anisotropies in the Hubble diagram for z lesssim 0.1 and theory shows that only a subset of multipoles contributes to the signal, we demonstrate that only 12 degrees of freedom are needed for a model-independent description of the local universe. We use an analytical axisymmetric model of the local Universe, with data that matches the Zwicky Transient Facility survey, in order to provide a numerical example of the amplitude of the snap multipoles and to forecast precision.

In this note we establish a 1-to-1 correspondence between the class of generalized quadrangles with ovoids and the class of balanced incomplete block designs that posses a non-triangular local resolution system and have the appropriate parameters. We present a non-triangular local resolution system for a difference family BIBD construction of Sprott.

Calibrated uncertainty estimates in machine learning are crucial to many fields such as autonomous vehicles, medicine, and weather and climate forecasting. While there is extensive literature on uncertainty calibration for classification, the classification findings do not always translate to regression. As a result, modern models for predicting uncertainty in regression settings typically produce uncalibrated and overconfident estimates. To address these gaps, we present a calibration method for regression settings that does not assume a particular uncertainty distribution over the error: Calibrating Regression Uncertainty Distributions Empirically (CRUDE). CRUDE makes the weaker assumption that error distributions have a constant arbitrary shape across the output space, shifted by predicted mean and scaled by predicted standard deviation. We detail a theoretical connection between CRUDE and conformal inference. Across an extensive set of regression tasks, CRUDE demonstrates consistently sharper, better calibrated, and more accurate uncertainty estimates than state-of-the-art techniques.

Geometric camera calibration is often required for applications that understand the perspective of the image. We propose perspective fields as a representation that models the local perspective properties of an image. Perspective Fields contain per-pixel information about the camera view, parameterized as an up vector and a latitude value. This representation has a number of advantages as it makes minimal assumptions about the camera model and is invariant or equivariant to common image editing operations like cropping, warping, and rotation. It is also more interpretable and aligned with human perception. We train a neural network to predict Perspective Fields and the predicted Perspective Fields can be converted to calibration parameters easily. We demonstrate the robustness of our approach under various scenarios compared with camera calibration-based methods and show example applications in image compositing.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

Intra-fraction motion in radiotherapy is commonly modeled using deformable image registration (DIR). However, existing methods often struggle to balance speed and accuracy, limiting their applicability in clinical scenarios. This study introduces a novel approach that harnesses Neural Graphics Primitives (NGP) to optimize the displacement vector field (DVF). Our method leverages learned primitives, processed as splats, and interpolates within space using a shallow neural network. Uniquely, it enables self-supervised optimization at an ultra-fast speed, negating the need for pre-training on extensive datasets and allowing seamless adaptation to new cases. We validated this approach on the 4D-CT lung dataset DIR-lab, achieving a target registration error (TRE) of 1.15\pm1.15 mm within a remarkable time of 1.77 seconds. Notably, our method also addresses the sliding boundary problem, a common challenge in conventional DIR methods.

Problems involving geometric data arise in a variety of fields, including computer vision, robotics, chemistry, and physics. Such data can take numerous forms, such as points, direction vectors, planes, or transformations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric algebra, which offers an efficient 16-dimensional vector space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a transformer, GATr is scalable, expressive, and versatile. In experiments with n-body modeling and robotic planning, GATr shows strong improvements over non-geometric baselines.

We propose to study and promote the robustness of a model as per its performance through the interpolation of training data distributions. Specifically, (1) we augment the data by finding the worst-case Wasserstein barycenter on the geodesic connecting subpopulation distributions of different categories. (2) We regularize the model for smoother performance on the continuous geodesic path connecting subpopulation distributions. (3) Additionally, we provide a theoretical guarantee of robustness improvement and investigate how the geodesic location and the sample size contribute, respectively. Experimental validations of the proposed strategy on four datasets, including CIFAR-100 and ImageNet, establish the efficacy of our method, e.g., our method improves the baselines' certifiable robustness on CIFAR10 up to 7.7%, with 16.8% on empirical robustness on CIFAR-100. Our work provides a new perspective of model robustness through the lens of Wasserstein geodesic-based interpolation with a practical off-the-shelf strategy that can be combined with existing robust training methods.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

Solving the inverse problem is the key step in evaluating the capacity of a physical model to describe real phenomena. In medical image computing, it aligns with the classical theme of image-based model personalization. Traditionally, a solution to the problem is obtained by performing either sampling or variational inference based methods. Both approaches aim to identify a set of free physical model parameters that results in a simulation best matching an empirical observation. When applied to brain tumor modeling, one of the instances of image-based model personalization in medical image computing, the overarching drawback of the methods is the time complexity for finding such a set. In a clinical setting with limited time between imaging and diagnosis or even intervention, this time complexity may prove critical. As the history of quantitative science is the history of compression, we align in this paper with the historical tendency and propose a method compressing complex traditional strategies for solving an inverse problem into a simple database query task. We evaluated different ways of performing the database query task assessing the trade-off between accuracy and execution time. On the exemplary task of brain tumor growth modeling, we prove that the proposed method achieves one order speed-up compared to existing approaches for solving the inverse problem. The resulting compute time offers critical means for relying on more complex and, hence, realistic models, for integrating image preprocessing and inverse modeling even deeper, or for implementing the current model into a clinical workflow.

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Datasets often have their intrinsic symmetries, and particular deep-learning models called equivariant or invariant models have been developed to exploit these symmetries. However, if some or all of these symmetries are only approximate, which frequently happens in practice, these models may be suboptimal due to the architectural restrictions imposed on them. We tackle this issue of approximate symmetries in a setup where symmetries are mixed, i.e., they are symmetries of not single but multiple different types and the degree of approximation varies across these types. Instead of proposing a new architectural restriction as in most of the previous approaches, we present a regularizer-based method for building a model for a dataset with mixed approximate symmetries. The key component of our method is what we call equivariance regularizer for a given type of symmetries, which measures how much a model is equivariant with respect to the symmetries of the type. Our method is trained with these regularizers, one per each symmetry type, and the strength of the regularizers is automatically tuned during training, leading to the discovery of the approximation levels of some candidate symmetry types without explicit supervision. Using synthetic function approximation and motion forecasting tasks, we demonstrate that our method achieves better accuracy than prior approaches while discovering the approximate symmetry levels correctly.

Recent neural network-based wave functions have achieved state-of-the-art accuracies in modeling ab-initio ground-state potential energy surface. However, these networks can only solve different spatial arrangements of the same set of atoms. To overcome this limitation, we present Graph-learned orbital embeddings (Globe), a neural network-based reparametrization method that can adapt neural wave functions to different molecules. Globe learns representations of local electronic structures that generalize across molecules via spatial message passing by connecting molecular orbitals to covalent bonds. Further, we propose a size-consistent wave function Ansatz, the Molecular orbital network (Moon), tailored to jointly solve Schr\"odinger equations of different molecules. In our experiments, we find Moon converging in 4.5 times fewer steps to similar accuracy as previous methods or to lower energies given the same time. Further, our analysis shows that Moon's energy estimate scales additively with increased system sizes, unlike previous work where we observe divergence. In both computational chemistry and machine learning, we are the first to demonstrate that a single wave function can solve the Schr\"odinger equation of molecules with different atoms jointly.

Recently, 3D Gaussian Splatting (3DGS) has emerged as a prominent framework for novel view synthesis, providing high fidelity and rapid rendering speed. However, the substantial data volume of 3DGS and its attributes impede its practical utility, requiring compression techniques for reducing memory cost. Nevertheless, the unorganized shape of 3DGS leads to difficulties in compression. To formulate unstructured attributes into normative distribution, we propose a well-structured tri-plane to encode Gaussian attributes, leveraging the distribution of attributes for compression. To exploit the correlations among adjacent Gaussians, K-Nearest Neighbors (KNN) is used when decoding Gaussian distribution from the Tri-plane. We also introduce Gaussian position information as a prior of the position-sensitive decoder. Additionally, we incorporate an adaptive wavelet loss, aiming to focus on the high-frequency details as iterations increase. Our approach has achieved results that are comparable to or surpass that of SOTA 3D Gaussians Splatting compression work in extensive experiments across multiple datasets. The codes are released at https://github.com/timwang2001/TC-GS.

Minibatch optimal transport coupling straightens paths in unconditional flow matching. This leads to computationally less demanding inference as fewer integration steps and less complex numerical solvers can be employed when numerically solving an ordinary differential equation at test time. However, in the conditional setting, minibatch optimal transport falls short. This is because the default optimal transport mapping disregards conditions, resulting in a conditionally skewed prior distribution during training. In contrast, at test time, we have no access to the skewed prior, and instead sample from the full, unbiased prior distribution. This gap between training and testing leads to a subpar performance. To bridge this gap, we propose conditional optimal transport C^2OT that adds a conditional weighting term in the cost matrix when computing the optimal transport assignment. Experiments demonstrate that this simple fix works with both discrete and continuous conditions in 8gaussians-to-moons, CIFAR-10, ImageNet-32x32, and ImageNet-256x256. Our method performs better overall compared to the existing baselines across different function evaluation budgets. Code is available at https://hkchengrex.github.io/C2OT

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly defined as the locus of points which are weighted means of k+1 reference points. As this definition relies on points and not on tangent vectors, it can also be extended to geodesic spaces which are not Riemannian. For instance, in stratified spaces, it naturally allows principal subspaces that span several strata, which is impossible in previous generalizations of PCA. We show that barycentric subspaces locally define a submanifold of dimension k which generalizes geodesic subspaces.Second, we rephrase PCA in Euclidean spaces as an optimization on flags of linear subspaces (a hierarchy of properly embedded linear subspaces of increasing dimension). We show that the Euclidean PCA minimizes the Accumulated Unexplained Variances by all the subspaces of the flag (AUV). Barycentric subspaces are naturally nested, allowing the construction of hierarchically nested subspaces. Optimizing the AUV criterion to optimally approximate data points with flags of affine spans in Riemannian manifolds lead to a particularly appealing generalization of PCA on manifolds called Barycentric Subspaces Analysis (BSA).

By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.

In this work, we aim to estimate the stellar parameters of the primary (Aa) by performing asteroseismic analysis on its period-spacing pattern. We use the C-3PO neural network to perform asteroseismic modelling of the g-mode period-spacing pattern of Aa, discussing the interplay of this information with external constraints from spectroscopy (T_{rm eff} and log(g)) and eclipse modelling (R). To estimate the level of uncertainty due to different frequency extraction and pattern identification processes, we consider four different variations on the period-spacing patterns. To better understand the correlations between and the uncertainty structure of our parameter estimates, we also employed a classical, parameter-based MCMC grid search on four different stellar grids. The best-fitting, externally constrained model to the period-spacing pattern arrives at estimates of the stellar properties for Aa of: M=1.51 pm 0.05 M_odot, X_c =0.43 pm 0.04, R=1.66 pm 0.1 R_odot, f_{rm ov}=0.010, Omega_c=1.58 pm 0.01 d^{-1} with rigid rotation to within the measurement errors, log(T_{rm eff})=3.856 pm 0.008 dex, log(g)=4.18 pm 0.04 dex, and log(L)=0.809 pm 0.005 dex, which agree well with previous measurements from eclipse modelling, spectroscopy, and the Gaia DR3 luminosity. We find that the near-core properties of the best-fitting asteroseismic models are consistent with external constraints from eclipse modelling and spectroscopy. Aa appears to be a typical example of a gamma Dor star, fitting well within existing populations. We find that Aa is quasi-rigidly rotating to within the uncertainties, and note that the asteroseismic age estimate for Aa (1100 pm 100 Myr) is considerably older than the young (35 Myr) age implied by previous isochrone fits to the B binary in the literature. Our MCMC parameter-based grid-search agrees well with our pattern-modelling approach.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

We present a new approach to constructing and fitting dipoles and higher-order multipoles in synthetic galaxy samples over the sky. Within our Bayesian paradigm, we illustrate that this technique is robust to masked skies, allowing us to make credible inferences about the relative contributions of each multipole. We also show that dipoles can be recovered in surveys with small footprints, determining the requisite source counts required for concrete estimation of the dipole parameters. This work is motivated by recent probes of the cosmic dipole in galaxy catalogues. Namely, the kinematic dipole of the Cosmic Microwave Background, as arising from the motion of our heliocentric frame at approx 370 km,s^{-1}, implies that an analogous dipole should be observed in the number counts of galaxies in flux-density-limited samples. Recent studies have reported a dipole aligning with the kinematic dipole but with an anomalously large amplitude. Accordingly, our new technique will be important as forthcoming galaxy surveys are made available and for revisiting previous data.

Processing information on 3D objects requires methods stable to rigid-body transformations, in particular rotations, of the input data. In image processing tasks, convolutional neural networks achieve this property using rotation-equivariant operations. However, contrary to images, graphs generally have irregular topology. This makes it challenging to define a rotation-equivariant convolution operation on these structures. In this work, we propose Spherical Graph Convolutional Network (S-GCN) that processes 3D models of proteins represented as molecular graphs. In a protein molecule, individual amino acids have common topological elements. This allows us to unambiguously associate each amino acid with a local coordinate system and construct rotation-equivariant spherical filters that operate on angular information between graph nodes. Within the framework of the protein model quality assessment problem, we demonstrate that the proposed spherical convolution method significantly improves the quality of model assessment compared to the standard message-passing approach. It is also comparable to state-of-the-art methods, as we demonstrate on Critical Assessment of Structure Prediction (CASP) benchmarks. The proposed technique operates only on geometric features of protein 3D models. This makes it universal and applicable to any other geometric-learning task where the graph structure allows constructing local coordinate systems.

Testing and evaluation is a critical step in the development and deployment of connected and automated vehicles (CAVs). Due to the black-box property and various types of CAVs, how to test and evaluate CAVs adaptively remains a major challenge. Many approaches have been proposed to adaptively generate testing scenarios during the testing process. However, most existing approaches cannot be applied to complex scenarios, where the variables needed to define such scenarios are high dimensional. Towards filling this gap, the adaptive testing with sparse control variates method is proposed in this paper. Instead of adaptively generating testing scenarios, our approach evaluates CAVs' performances by adaptively utilizing the testing results. Specifically, each testing result is adjusted using multiple linear regression techniques based on control variates. As the regression coefficients can be adaptively optimized for the CAV under test, using the adjusted results can reduce the estimation variance, compared with using the testing results directly. To overcome the high dimensionality challenge, sparse control variates are utilized only for the critical variables of testing scenarios. To validate the proposed method, the high-dimensional overtaking scenarios are investigated, and the results demonstrate that our approach can further accelerate the evaluation process by about 30 times.

360^circ videos offer a hyper-immersive experience that allows the viewers to explore a dynamic scene from full 360 degrees. To achieve more user-friendly and personalized content creation in 360^circ video format, we seek to lift standard perspective videos into 360^circ equirectangular videos. To this end, we introduce Imagine360, the first perspective-to-360^circ video generation framework that creates high-quality 360^circ videos with rich and diverse motion patterns from video anchors. Imagine360 learns fine-grained spherical visual and motion patterns from limited 360^circ video data with several key designs. 1) Firstly we adopt the dual-branch design, including a perspective and a panorama video denoising branch to provide local and global constraints for 360^circ video generation, with motion module and spatial LoRA layers fine-tuned on extended web 360^circ videos. 2) Additionally, an antipodal mask is devised to capture long-range motion dependencies, enhancing the reversed camera motion between antipodal pixels across hemispheres. 3) To handle diverse perspective video inputs, we propose elevation-aware designs that adapt to varying video masking due to changing elevations across frames. Extensive experiments show Imagine360 achieves superior graphics quality and motion coherence among state-of-the-art 360^circ video generation methods. We believe Imagine360 holds promise for advancing personalized, immersive 360^circ video creation.

In this paper, we introduce a mesh-free two-level hybrid Tucker tensor format for approximation of multivariate functions, which combines the product Chebyshev interpolation with the ALS-based Tucker decomposition of the tensor of Chebyshev coefficients. It allows to avoid the expenses of the rank-structured approximation of function-related tensors defined on large spacial grids, while benefiting from the Tucker decomposition of the rather small core tensor of Chebyshev coefficients. This leads to nearly optimal Tucker rank parameters which are close to the results for well established Tucker-ALS algorithm applied to the large grid-based tensors. These rank parameters inherited from the Tucker-ALS decomposition of the coefficient tensor can be much less than the polynomial degrees of the initial Chebyshev interpolant via function independent basis set. Furthermore, the tensor product Chebyshev polynomials discretized on a tensor grid leads to a low-rank two-level orthogonal algebraic Tucker tensor that approximates the initial function with controllable accuracy. It is shown that our techniques could be gainfully applied to the long-range part of the electrostatic potential of multi-particle systems approximated in the range-separated tensor format. Error and complexity estimates of the proposed methods are presented. We demonstrate the efficiency of the suggested method numerically on examples of the long-range components of multi-particle interaction potentials generated by 3D Newton kernel for large bio-molecule systems and lattice-type compounds.

Sublinear time complexity is required by the massively parallel computation (MPC) model. Breaking dynamic programs into a set of sparse dynamic programs that can be divided, solved, and merged in sublinear time. The rectangle escape problem (REP) is defined as follows: For n axis-aligned rectangles inside an axis-aligned bounding box B, extend each rectangle in only one of the four directions: up, down, left, or right until it reaches B and the density k is minimized, where k is the maximum number of extensions of rectangles to the boundary that pass through a point inside bounding box B. REP is NP-hard for k>1. If the rectangles are points of a grid (or unit squares of a grid), the problem is called the square escape problem (SEP) and it is still NP-hard. We give a 2-approximation algorithm for SEP with kgeq2 with time complexity O(n^{3/2}k^2). This improves the time complexity of existing algorithms which are at least quadratic. Also, the approximation ratio of our algorithm for kgeq 3 is 3/2 which is tight. We also give a 8-approximation algorithm for REP with time complexity O(nlog n+nk) and give a MPC version of this algorithm for k=O(1) which is the first parallel algorithm for this problem.

Emerging 3D geometric foundation models, such as DUSt3R, offer a promising approach for in-the-wild 3D vision tasks. However, due to the high-dimensional nature of the problem space and scarcity of high-quality 3D data, these pre-trained models still struggle to generalize to many challenging circumstances, such as limited view overlap or low lighting. To address this, we propose LoRA3D, an efficient self-calibration pipeline to specialize the pre-trained models to target scenes using their own multi-view predictions. Taking sparse RGB images as input, we leverage robust optimization techniques to refine multi-view predictions and align them into a global coordinate frame. In particular, we incorporate prediction confidence into the geometric optimization process, automatically re-weighting the confidence to better reflect point estimation accuracy. We use the calibrated confidence to generate high-quality pseudo labels for the calibrating views and use low-rank adaptation (LoRA) to fine-tune the models on the pseudo-labeled data. Our method does not require any external priors or manual labels. It completes the self-calibration process on a single standard GPU within just 5 minutes. Each low-rank adapter requires only 18MB of storage. We evaluated our method on more than 160 scenes from the Replica, TUM and Waymo Open datasets, achieving up to 88% performance improvement on 3D reconstruction, multi-view pose estimation and novel-view rendering.

Neural graphics primitives are faster and achieve higher quality when their neural networks are augmented by spatial data structures that hold trainable features arranged in a grid. However, existing feature grids either come with a large memory footprint (dense or factorized grids, trees, and hash tables) or slow performance (index learning and vector quantization). In this paper, we show that a hash table with learned probes has neither disadvantage, resulting in a favorable combination of size and speed. Inference is faster than unprobed hash tables at equal quality while training is only 1.2-2.6x slower, significantly outperforming prior index learning approaches. We arrive at this formulation by casting all feature grids into a common framework: they each correspond to a lookup function that indexes into a table of feature vectors. In this framework, the lookup functions of existing data structures can be combined by simple arithmetic combinations of their indices, resulting in Pareto optimal compression and speed.

Modeling latent variables with priors and hyperpriors is an essential problem in variational image compression. Formally, trade-off between rate and distortion is handled well if priors and hyperpriors precisely describe latent variables. Current practices only adopt univariate priors and process each variable individually. However, we find inter-correlations and intra-correlations exist when observing latent variables in a vectorized perspective. These findings reveal visual redundancies to improve rate-distortion performance and parallel processing ability to speed up compression. This encourages us to propose a novel vectorized prior. Specifically, a multivariate Gaussian mixture is proposed with means and covariances to be estimated. Then, a novel probabilistic vector quantization is utilized to effectively approximate means, and remaining covariances are further induced to a unified mixture and solved by cascaded estimation without context models involved. Furthermore, codebooks involved in quantization are extended to multi-codebooks for complexity reduction, which formulates an efficient compression procedure. Extensive experiments on benchmark datasets against state-of-the-art indicate our model has better rate-distortion performance and an impressive 3.18times compression speed up, giving us the ability to perform real-time, high-quality variational image compression in practice. Our source code is publicly available at https://github.com/xiaosu-zhu/McQuic.

In this paper, we introduce a novel approach to fine-grained cross-view geo-localization. Our method aligns a warped ground image with a corresponding GPS-tagged satellite image covering the same area using homography estimation. We first employ a differentiable spherical transform, adhering to geometric principles, to accurately align the perspective of the ground image with the satellite map. This transformation effectively places ground and aerial images in the same view and on the same plane, reducing the task to an image alignment problem. To address challenges such as occlusion, small overlapping range, and seasonal variations, we propose a robust correlation-aware homography estimator to align similar parts of the transformed ground image with the satellite image. Our method achieves sub-pixel resolution and meter-level GPS accuracy by mapping the center point of the transformed ground image to the satellite image using a homography matrix and determining the orientation of the ground camera using a point above the central axis. Operating at a speed of 30 FPS, our method outperforms state-of-the-art techniques, reducing the mean metric localization error by 21.3% and 32.4% in same-area and cross-area generalization tasks on the VIGOR benchmark, respectively, and by 34.4% on the KITTI benchmark in same-area evaluation.

Accurately modeling protein 3D structure is essential for the design of functional proteins. An important sub-task of structure modeling is protein side-chain packing: predicting the conformation of side-chains (rotamers) given the protein's backbone structure and amino-acid sequence. Conventional approaches for this task rely on expensive sampling procedures over hand-crafted energy functions and rotamer libraries. Recently, several deep learning methods have been developed to tackle the problem in a data-driven way, albeit with vastly different formulations (from image-to-image translation to directly predicting atomic coordinates). Here, we frame the problem as a joint regression over the side-chains' true degrees of freedom: the dihedral chi angles. We carefully study possible objective functions for this task, while accounting for the underlying symmetries of the task. We propose Holographic Packer (H-Packer), a novel two-stage algorithm for side-chain packing built on top of two light-weight rotationally equivariant neural networks. We evaluate our method on CASP13 and CASP14 targets. H-Packer is computationally efficient and shows favorable performance against conventional physics-based algorithms and is competitive against alternative deep learning solutions.

We introduce a novel neural network-based algorithm to compute optimal transport (OT) plans for general cost functionals. In contrast to common Euclidean costs, i.e., ell^1 or ell^2, such functionals provide more flexibility and allow using auxiliary information, such as class labels, to construct the required transport map. Existing methods for general costs are discrete and have limitations in practice, i.e. they do not provide an out-of-sample estimation. We address the challenge of designing a continuous OT approach for general costs that generalizes to new data points in high-dimensional spaces, such as images. Additionally, we provide the theoretical error analysis for our recovered transport plans. As an application, we construct a cost functional to map data distributions while preserving the class-wise structure.

Flying Triangulation sensors enable a free-hand and motion-robust 3D data acquisition of complex shaped objects. The measurement principle is based on a multi-line light-sectioning approach and uses sophisticated algorithms for real-time registration (S. Ettl et al., Appl. Opt. 51 (2012) 281-289). As "single-shot principle", light sectioning enables the option to get surface data from one single camera exposure. But there is a drawback: A pixel-dense measurement is not possible because of fundamental information-theoretical reasons. By "pixel-dense" we understand that each pixel displays individually measured distance information, neither interpolated from its neighbour pixels nor using lateral context information. Hence, for monomodal single-shot principles, the 3D data generated from one 2D raw image display a significantly lower space-bandwidth than the camera permits. This is the price one must pay for motion robustness. Currently, our sensors project about 10 lines (each with 1000 pixels), reaching an considerable lower data efficiency than theoretically possible for a single-shot sensor. Our aim is to push Flying Triangulation to its information-theoretical limits. Therefore, the line density as well as the measurement depth needs to be significantly increased. This causes serious indexing ambiguities. On the road to a single-shot 3D movie camera, we are working on solutions to overcome the problem of false line indexing by utilizing yet unexploited information. We will present several approaches and will discuss profound information-theoretical questions about the information efficiency of 3D sensors.

A common approach to localize 3D human joints in a synchronized and calibrated multi-view setup consists of two-steps: (1) apply a 2D detector separately on each view to localize joints in 2D, and (2) perform robust triangulation on 2D detections from each view to acquire the 3D joint locations. However, in step 1, the 2D detector is limited to solving challenging cases which could potentially be better resolved in 3D, such as occlusions and oblique viewing angles, purely in 2D without leveraging any 3D information. Therefore, we propose the differentiable "epipolar transformer", which enables the 2D detector to leverage 3D-aware features to improve 2D pose estimation. The intuition is: given a 2D location p in the current view, we would like to first find its corresponding point p' in a neighboring view, and then combine the features at p' with the features at p, thus leading to a 3D-aware feature at p. Inspired by stereo matching, the epipolar transformer leverages epipolar constraints and feature matching to approximate the features at p'. Experiments on InterHand and Human3.6M show that our approach has consistent improvements over the baselines. Specifically, in the condition where no external data is used, our Human3.6M model trained with ResNet-50 backbone and image size 256 x 256 outperforms state-of-the-art by 4.23 mm and achieves MPJPE 26.9 mm.

We present the first method capable of photorealistically reconstructing deformable scenes using photos/videos captured casually from mobile phones. Our approach augments neural radiance fields (NeRF) by optimizing an additional continuous volumetric deformation field that warps each observed point into a canonical 5D NeRF. We observe that these NeRF-like deformation fields are prone to local minima, and propose a coarse-to-fine optimization method for coordinate-based models that allows for more robust optimization. By adapting principles from geometry processing and physical simulation to NeRF-like models, we propose an elastic regularization of the deformation field that further improves robustness. We show that our method can turn casually captured selfie photos/videos into deformable NeRF models that allow for photorealistic renderings of the subject from arbitrary viewpoints, which we dub "nerfies." We evaluate our method by collecting time-synchronized data using a rig with two mobile phones, yielding train/validation images of the same pose at different viewpoints. We show that our method faithfully reconstructs non-rigidly deforming scenes and reproduces unseen views with high fidelity.

Recent large reconstruction models have made notable progress in generating high-quality 3D objects from single images. However, these methods often struggle with controllability, as they lack information from multiple views, leading to incomplete or inconsistent 3D reconstructions. To address this limitation, we introduce LucidFusion, a flexible end-to-end feed-forward framework that leverages the Relative Coordinate Map (RCM). Unlike traditional methods linking images to 3D world thorough pose, LucidFusion utilizes RCM to align geometric features coherently across different views, making it highly adaptable for 3D generation from arbitrary, unposed images. Furthermore, LucidFusion seamlessly integrates with the original single-image-to-3D pipeline, producing detailed 3D Gaussians at a resolution of 512 times 512, making it well-suited for a wide range of applications.

With the rapid development of 3D reconstruction technology, research in 4D reconstruction is also advancing, existing 4D reconstruction methods can generate high-quality 4D scenes. However, due to the challenges in acquiring multi-view video data, the current 4D reconstruction benchmarks mainly display actions performed in place, such as dancing, within limited scenarios. In practical scenarios, many scenes involve wide-range spatial movements, highlighting the limitations of existing 4D reconstruction datasets. Additionally, existing 4D reconstruction methods rely on deformation fields to estimate the dynamics of 3D objects, but deformation fields struggle with wide-range spatial movements, which limits the ability to achieve high-quality 4D scene reconstruction with wide-range spatial movements. In this paper, we focus on 4D scene reconstruction with significant object spatial movements and propose a novel 4D reconstruction benchmark, WideRange4D. This benchmark includes rich 4D scene data with large spatial variations, allowing for a more comprehensive evaluation of the generation capabilities of 4D generation methods. Furthermore, we introduce a new 4D reconstruction method, Progress4D, which generates stable and high-quality 4D results across various complex 4D scene reconstruction tasks. We conduct both quantitative and qualitative comparison experiments on WideRange4D, showing that our Progress4D outperforms existing state-of-the-art 4D reconstruction methods. Project: https://github.com/Gen-Verse/WideRange4D

The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods and is strongly competitive with current state-of-the-art learning-based models such as DiffDock-PP and Multimer particularly for antibody-antigen docking.

Convergent Cross Mapping (CCM) is a powerful method for detecting causality in coupled nonlinear dynamical systems, providing a model-free approach to capture dynamic causal interactions. Partial Cross Mapping (PCM) was introduced as an extension of CCM to address indirect causality in three-variable systems by comparing cross-mapping quality between direct cause-effect mapping and indirect mapping through an intermediate conditioning variable. However, PCM remains limited to univariate delay embeddings in its cross-mapping processes. In this work, we extend PCM to the multivariate setting, introducing multiPCM, which leverages multivariate embeddings to more effectively distinguish indirect causal relationships. We further propose a multivariate cross-mapping framework (MXMap) for causal discovery in dynamical systems. This two-phase framework combines (1) pairwise CCM tests to establish an initial causal graph and (2) multiPCM to refine the graph by pruning indirect causal connections. Through experiments on simulated data and the ERA5 Reanalysis weather dataset, we demonstrate the effectiveness of MXMap. Additionally, MXMap is compared against several baseline methods, showing advantages in accuracy and causal graph refinement.

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

This paper studies the problem of recovering cameras from a set of fundamental matrices. A set of fundamental matrices is said to be compatible if a set of cameras exists for which they are the fundamental matrices. We focus on the complete graph, where fundamental matrices for each pair of cameras are given. Previous work has established necessary and sufficient conditions for compatibility as rank and eigenvalue conditions on the n-view fundamental matrix obtained by concatenating the individual fundamental matrices. In this work, we show that the eigenvalue condition is redundant. We provide explicit homogeneous polynomials that describe necessary and sufficient conditions for compatibility in terms of the fundamental matrices and their epipoles. In this direction, we find that quadruple-wise compatibility is enough to ensure global compatibility for any number of cameras. We demonstrate that for four cameras, compatibility is generically described by triple-wise conditions and one additional equation involving all fundamental matrices.

Existing novel object 6D pose estimation methods typically rely on CAD models or dense reference views, which are both difficult to acquire. Using only a single reference view is more scalable, but challenging due to large pose discrepancies and limited geometric and spatial information. To address these issues, we propose a Single-Reference-based novel object 6D (SinRef-6D) pose estimation method. Our key idea is to iteratively establish point-wise alignment in the camera coordinate system based on state space models (SSMs). Specifically, iterative camera-space point-wise alignment can effectively handle large pose discrepancies, while our proposed RGB and Points SSMs can capture long-range dependencies and spatial information from a single view, offering linear complexity and superior spatial modeling capability. Once pre-trained on synthetic data, SinRef-6D can estimate the 6D pose of a novel object using only a single reference view, without requiring retraining or a CAD model. Extensive experiments on six popular datasets and real-world robotic scenes demonstrate that we achieve on-par performance with CAD-based and dense reference view-based methods, despite operating in the more challenging single reference setting. Code will be released at https://github.com/CNJianLiu/SinRef-6D.

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

Geolocating images of a ground-level scene entails estimating the location on Earth where the picture was taken, in absence of GPS or other location metadata. Typically, methods are evaluated by measuring the Great Circle Distance (GCD) between a predicted location and ground truth. However, this measurement is limited because it only evaluates a single point, not estimates of regions or score heatmaps. This is especially important in applications to rural, wilderness and under-sampled areas, where finding the exact location may not be possible, and when used in aggregate systems that progressively narrow down locations. In this paper, we introduce a novel metric, Recall vs Area (RvA), which measures the accuracy of estimated distributions of locations. RvA treats image geolocation results similarly to document retrieval, measuring recall as a function of area: For a ranked list of (possibly non-contiguous) predicted regions, we measure the accumulated area required for the region to contain the ground truth coordinate. This produces a curve similar to a precision-recall curve, where "precision" is replaced by square kilometers area, allowing evaluation of performance for different downstream search area budgets. Following directly from this view of the problem, we then examine a simple ensembling approach to global-scale image geolocation, which incorporates information from multiple sources to help address domain shift, and can readily incorporate multiple models, attribute predictors, and data sources. We study its effectiveness by combining the geolocation models GeoEstimation and the current SOTA GeoCLIP, with attribute predictors based on ORNL LandScan and ESA-CCI Land Cover. We find significant improvements in image geolocation for areas that are under-represented in the training set, particularly non-urban areas, on both Im2GPS3k and Street View images.

Representing and rendering dynamic scenes has been an important but challenging task. Especially, to accurately model complex motions, high efficiency is usually hard to maintain. We introduce the 4D Gaussian Splatting (4D-GS) to achieve real-time dynamic scene rendering while also enjoying high training and storage efficiency. An efficient deformation field is constructed to model both Gaussian motions and shape deformations. Different adjacent Gaussians are connected via a HexPlane to produce more accurate position and shape deformations. Our 4D-GS method achieves real-time rendering under high resolutions, 70 FPS at a 800times800 resolution on an RTX 3090 GPU, while maintaining comparable or higher quality than previous state-of-the-art methods. More demos and code are available at https://guanjunwu.github.io/4dgs/.

Contact-rich manipulation tasks with stiff frictional elements like connector insertion are difficult to model with rigid-body simulators. In this work, we propose a new approach for modeling these environments by learning a quasi-static contact force model instead of a full simulator. Using a feature vector that contains information about the configuration and control, we find a linear mapping adequately captures the relationship between this feature vector and the sensed contact forces. A novel Linear Model Learning (LML) algorithm is used to solve for the globally optimal mapping in real time without any matrix inversions, resulting in an algorithm that runs in nearly constant time on a GPU as the model size increases. We validate the proposed approach for connector insertion both in simulation and hardware experiments, where the learned model is combined with an optimization-based controller to achieve smooth insertions in the presence of misalignments and uncertainty. Our website featuring videos, code, and more materials is available at https://model-based-plugging.github.io/.

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

Molecules are frequently represented as graphs, but the underlying 3D molecular geometry (the locations of the atoms) ultimately determines most molecular properties. However, most molecules are not static and at room temperature adopt a wide variety of geometries or conformations. The resulting distribution on geometries p(x) is known as the Boltzmann distribution, and many molecular properties are expectations computed under this distribution. Generating accurate samples from the Boltzmann distribution is therefore essential for computing these expectations accurately. Traditional sampling-based methods are computationally expensive, and most recent machine learning-based methods have focused on identifying modes in this distribution rather than generating true samples. Generating such samples requires capturing conformational variability, and it has been widely recognized that the majority of conformational variability in molecules arises from rotatable bonds. In this work, we present VonMisesNet, a new graph neural network that captures conformational variability via a variational approximation of rotatable bond torsion angles as a mixture of von Mises distributions. We demonstrate that VonMisesNet can generate conformations for arbitrary molecules in a way that is both physically accurate with respect to the Boltzmann distribution and orders of magnitude faster than existing sampling methods.

We employ random matrix theory to establish consistency of generalized cross validation (GCV) for estimating prediction risks of sketched ridge regression ensembles, enabling efficient and consistent tuning of regularization and sketching parameters. Our results hold for a broad class of asymptotically free sketches under very mild data assumptions. For squared prediction risk, we provide a decomposition into an unsketched equivalent implicit ridge bias and a sketching-based variance, and prove that the risk can be globally optimized by only tuning sketch size in infinite ensembles. For general subquadratic prediction risk functionals, we extend GCV to construct consistent risk estimators, and thereby obtain distributional convergence of the GCV-corrected predictions in Wasserstein-2 metric. This in particular allows construction of prediction intervals with asymptotically correct coverage conditional on the training data. We also propose an "ensemble trick" whereby the risk for unsketched ridge regression can be efficiently estimated via GCV using small sketched ridge ensembles. We empirically validate our theoretical results using both synthetic and real large-scale datasets with practical sketches including CountSketch and subsampled randomized discrete cosine transforms.

We present a trainable framework for efficiently generating gauge configurations, and discuss ongoing work in this direction. In particular, we consider the problem of sampling configurations from a 4D SU(3) lattice gauge theory, and consider a generalized leapfrog integrator in the molecular dynamics update that can be trained to improve sampling efficiency. Code is available online at https://github.com/saforem2/l2hmc-qcd.

Given that visual foundation models (VFMs) are trained on extensive datasets but often limited to 2D images, a natural question arises: how well do they understand the 3D world? With the differences in architecture and training protocols (i.e., objectives, proxy tasks), a unified framework to fairly and comprehensively probe their 3D awareness is urgently needed. Existing works on 3D probing suggest single-view 2.5D estimation (e.g., depth and normal) or two-view sparse 2D correspondence (e.g., matching and tracking). Unfortunately, these tasks ignore texture awareness, and require 3D data as ground-truth, which limits the scale and diversity of their evaluation set. To address these issues, we introduce Feat2GS, which readout 3D Gaussians attributes from VFM features extracted from unposed images. This allows us to probe 3D awareness for geometry and texture via novel view synthesis, without requiring 3D data. Additionally, the disentanglement of 3DGS parameters - geometry (x, alpha, Sigma) and texture (c) - enables separate analysis of texture and geometry awareness. Under Feat2GS, we conduct extensive experiments to probe the 3D awareness of several VFMs, and investigate the ingredients that lead to a 3D aware VFM. Building on these findings, we develop several variants that achieve state-of-the-art across diverse datasets. This makes Feat2GS useful for probing VFMs, and as a simple-yet-effective baseline for novel-view synthesis. Code and data will be made available at https://fanegg.github.io/Feat2GS/.

We propose a novel point-based representation, Gaussian surfels, to combine the advantages of the flexible optimization procedure in 3D Gaussian points and the surface alignment property of surfels. This is achieved by directly setting the z-scale of 3D Gaussian points to 0, effectively flattening the original 3D ellipsoid into a 2D ellipse. Such a design provides clear guidance to the optimizer. By treating the local z-axis as the normal direction, it greatly improves optimization stability and surface alignment. While the derivatives to the local z-axis computed from the covariance matrix are zero in this setting, we design a self-supervised normal-depth consistency loss to remedy this issue. Monocular normal priors and foreground masks are incorporated to enhance the quality of the reconstruction, mitigating issues related to highlights and background. We propose a volumetric cutting method to aggregate the information of Gaussian surfels so as to remove erroneous points in depth maps generated by alpha blending. Finally, we apply screened Poisson reconstruction method to the fused depth maps to extract the surface mesh. Experimental results show that our method demonstrates superior performance in surface reconstruction compared to state-of-the-art neural volume rendering and point-based rendering methods.

3D Gaussian Splatting (3DGS) has made significant strides in scene representation and neural rendering, with intense efforts focused on adapting it for dynamic scenes. Despite delivering remarkable rendering quality and speed, existing methods struggle with storage demands and representing complex real-world motions. To tackle these issues, we propose MoDecGS, a memory-efficient Gaussian splatting framework designed for reconstructing novel views in challenging scenarios with complex motions. We introduce GlobaltoLocal Motion Decomposition (GLMD) to effectively capture dynamic motions in a coarsetofine manner. This approach leverages Global Canonical Scaffolds (Global CS) and Local Canonical Scaffolds (Local CS), extending static Scaffold representation to dynamic video reconstruction. For Global CS, we propose Global Anchor Deformation (GAD) to efficiently represent global dynamics along complex motions, by directly deforming the implicit Scaffold attributes which are anchor position, offset, and local context features. Next, we finely adjust local motions via the Local Gaussian Deformation (LGD) of Local CS explicitly. Additionally, we introduce Temporal Interval Adjustment (TIA) to automatically control the temporal coverage of each Local CS during training, allowing MoDecGS to find optimal interval assignments based on the specified number of temporal segments. Extensive evaluations demonstrate that MoDecGS achieves an average 70% reduction in model size over stateoftheart methods for dynamic 3D Gaussians from realworld dynamic videos while maintaining or even improving rendering quality.

This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating C stochastic processes characterized by: 1) the C processes are non-stationary, 2) the C processes are dependent by construction without needing a mixing matrix, 3) training and making predictions is very efficient since the number of Gaussian Processes (GP) operations (e.g. inverting the inducing point's covariance matrix) do not depend on the number of processes. This makes the ETGP particularly suited for multi-class problems with a very large number of classes, which are the problems studied in this work. ETGPs exploit the recently proposed Transformed Gaussian Process (TGP), a stochastic process specified by transforming a Gaussian Process using an invertible transformation. However, unlike TGPs, ETGPs are constructed by transforming a single sample from a GP using C invertible transformations. We derive an efficient sparse variational inference algorithm for the proposed model and demonstrate its utility in 5 classification tasks which include low/medium/large datasets and a different number of classes, ranging from just a few to hundreds. Our results show that ETGPs, in general, outperform state-of-the-art methods for multi-class classification based on GPs, and have a lower computational cost (around one order of magnitude smaller).

From crop mapping to flood detection, machine learning in remote sensing has a wide range of societally beneficial applications. The commonalities between remote sensing data in these applications present an opportunity for pretrained machine learning models tailored to remote sensing to reduce the labeled data and effort required to solve individual tasks. However, such models must be: (i) flexible enough to ingest input data of varying sensor modalities and shapes (i.e., of varying spatial and temporal dimensions), and (ii) able to model Earth surface phenomena of varying scales and types. To solve this gap, we present Galileo, a family of pretrained remote sensing models designed to flexibly process multimodal remote sensing data. We also introduce a novel and highly effective self-supervised learning approach to learn both large- and small-scale features, a challenge not addressed by previous models. Our Galileo models obtain state-of-the-art results across diverse remote sensing tasks.

Visual spatial description (VSD) aims to generate texts that describe the spatial relations of the given objects within images. Existing VSD work merely models the 2D geometrical vision features, thus inevitably falling prey to the problem of skewed spatial understanding of target objects. In this work, we investigate the incorporation of 3D scene features for VSD. With an external 3D scene extractor, we obtain the 3D objects and scene features for input images, based on which we construct a target object-centered 3D spatial scene graph (Go3D-S2G), such that we model the spatial semantics of target objects within the holistic 3D scenes. Besides, we propose a scene subgraph selecting mechanism, sampling topologically-diverse subgraphs from Go3D-S2G, where the diverse local structure features are navigated to yield spatially-diversified text generation. Experimental results on two VSD datasets demonstrate that our framework outperforms the baselines significantly, especially improving on the cases with complex visual spatial relations. Meanwhile, our method can produce more spatially-diversified generation. Code is available at https://github.com/zhaoyucs/VSD.

Rendering dynamic scenes from monocular videos is a crucial yet challenging task. The recent deformable Gaussian Splatting has emerged as a robust solution to represent real-world dynamic scenes. However, it often leads to heavily redundant Gaussians, attempting to fit every training view at various time steps, leading to slower rendering speeds. Additionally, the attributes of Gaussians in static areas are time-invariant, making it unnecessary to model every Gaussian, which can cause jittering in static regions. In practice, the primary bottleneck in rendering speed for dynamic scenes is the number of Gaussians. In response, we introduce Efficient Dynamic Gaussian Splatting (EDGS), which represents dynamic scenes via sparse time-variant attribute modeling. Our approach formulates dynamic scenes using a sparse anchor-grid representation, with the motion flow of dense Gaussians calculated via a classical kernel representation. Furthermore, we propose an unsupervised strategy to efficiently filter out anchors corresponding to static areas. Only anchors associated with deformable objects are input into MLPs to query time-variant attributes. Experiments on two real-world datasets demonstrate that our EDGS significantly improves the rendering speed with superior rendering quality compared to previous state-of-the-art methods.

This work puts forth a new optimal design formulation for planar elastic membranes. The goal is to minimize the membrane's compliance through choosing the material distribution described by a positive Radon measure. The deformation of the membrane itself is governed by the convexified F\"{o}ppl's model. The uniqueness of this model lies in the convexity of its variational formulation despite the inherent nonlinearity of the strain-displacement relation. It makes it possible to rewrite the optimization problem as a pair of mutually dual convex variational problems. In the primal problem a linear functional is maximized with respect to displacement functions while enforcing that point-wisely the strain lies in an unbounded closed convex set. The dual problem consists in finding equilibrated stresses that are to minimize a convex integral functional of linear growth defined on the space of Radon measures. The pair of problems is analysed: existence and regularity results are provided, together with the system of optimality criteria. To demonstrate the computational potential of the pair, a finite element scheme is developed around it. Upon reformulation to a conic-quadratic & semi-definite programming problem, the method is employed to produce numerical simulations for several load case scenarios.

This paper studies the scale and redshift variation of density and velocity distributions in self-gravitating collisionless dark matter flow by a halo-based non-projection approach. All particles are divided into halo and out-of-halo particles for redshift variation of distributions. Without projecting particle fields onto a structured grid, the scale variation is analyzed by identifying all particle pairs on different scales r. We demonstrate that: i) Delaunay tessellation can be used to reconstruct the density field. The density correlation, spectrum, and dispersion functions were obtained, modeled, and compared with the N-body simulation; ii) the velocity distributions are symmetric on both small and large scales and are non-symmetric with a negative skewness on intermediate scales due to the inverse energy cascade at a constant rate varepsilon_u; iii) On small scales, the even order moments of pairwise velocity Delta u_L follow a two-thirds law (-varepsilon_ur)^{2/3}, while the odd order moments follow a linear scaling langle(Delta u_L)^{2n+1}rangle=(2n+1)langle(Delta u_L)^{2n}ranglelangleDelta u_Lrangler; iv) The scale variation of the velocity distributions was studied for longitudinal velocities u_L or u_L^{'}, pairwise velocity (velocity difference) Delta u_L=u_L^{'}-u_L and velocity sum Sigma u_L=u^{'}_L+u_L. Fully developed velocity fields are never Gaussian on any scale, despite that they can initially be Gaussian; v) On small scales, u_L and Sigma u_L can be modeled by a X distribution to maximize the system entropy; vi) On large scales, Delta u_L and Sigma u_L can be modeled by a logistic or a X distribution; vii) the redshift variation of the velocity distributions follows the evolution of the X distribution involving a shape parameter alpha(z) decreasing with time.

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime masymp n asymp p, where m is the sketching size, n the sample size, and p the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.

We compare the (1,lambda)-EA and the (1 + lambda)-EA on the recently introduced benchmark DisOM, which is the OneMax function with randomly planted local optima. Previous work showed that if all local optima have the same relative height, then the plus strategy never loses more than a factor O(nlog n) compared to the comma strategy. Here we show that even small random fluctuations in the heights of the local optima have a devastating effect for the plus strategy and lead to super-polynomial runtimes. On the other hand, due to their ability to escape local optima, comma strategies are unaffected by the height of the local optima and remain efficient. Our results hold for a broad class of possible distortions and show that the plus strategy, but not the comma strategy, is generally deceived by sparse unstructured fluctuations of a smooth landscape.

We introduce PhysGaussian, a new method that seamlessly integrates physically grounded Newtonian dynamics within 3D Gaussians to achieve high-quality novel motion synthesis. Employing a custom Material Point Method (MPM), our approach enriches 3D Gaussian kernels with physically meaningful kinematic deformation and mechanical stress attributes, all evolved in line with continuum mechanics principles. A defining characteristic of our method is the seamless integration between physical simulation and visual rendering: both components utilize the same 3D Gaussian kernels as their discrete representations. This negates the necessity for triangle/tetrahedron meshing, marching cubes, "cage meshes," or any other geometry embedding, highlighting the principle of "what you see is what you simulate (WS^2)." Our method demonstrates exceptional versatility across a wide variety of materials--including elastic entities, metals, non-Newtonian fluids, and granular materials--showcasing its strong capabilities in creating diverse visual content with novel viewpoints and movements. Our project page is at: https://xpandora.github.io/PhysGaussian/

3D shape generation aims to produce innovative 3D content adhering to specific conditions and constraints. Existing methods often decompose 3D shapes into a sequence of localized components, treating each element in isolation without considering spatial consistency. As a result, these approaches exhibit limited versatility in 3D data representation and shape generation, hindering their ability to generate highly diverse 3D shapes that comply with the specified constraints. In this paper, we introduce a novel spatial-aware 3D shape generation framework that leverages 2D plane representations for enhanced 3D shape modeling. To ensure spatial coherence and reduce memory usage, we incorporate a hybrid shape representation technique that directly learns a continuous signed distance field representation of the 3D shape using orthogonal 2D planes. Additionally, we meticulously enforce spatial correspondences across distinct planes using a transformer-based autoencoder structure, promoting the preservation of spatial relationships in the generated 3D shapes. This yields an algorithm that consistently outperforms state-of-the-art 3D shape generation methods on various tasks, including unconditional shape generation, multi-modal shape completion, single-view reconstruction, and text-to-shape synthesis.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

The dominant CNN-based methods for cross-view image geo-localization rely on polar transform and fail to model global correlation. We propose a pure transformer-based approach (TransGeo) to address these limitations from a different perspective. TransGeo takes full advantage of the strengths of transformer related to global information modeling and explicit position information encoding. We further leverage the flexibility of transformer input and propose an attention-guided non-uniform cropping method, so that uninformative image patches are removed with negligible drop on performance to reduce computation cost. The saved computation can be reallocated to increase resolution only for informative patches, resulting in performance improvement with no additional computation cost. This "attend and zoom-in" strategy is highly similar to human behavior when observing images. Remarkably, TransGeo achieves state-of-the-art results on both urban and rural datasets, with significantly less computation cost than CNN-based methods. It does not rely on polar transform and infers faster than CNN-based methods. Code is available at https://github.com/Jeff-Zilence/TransGeo2022.

We propose SketchINR, to advance the representation of vector sketches with implicit neural models. A variable length vector sketch is compressed into a latent space of fixed dimension that implicitly encodes the underlying shape as a function of time and strokes. The learned function predicts the xy point coordinates in a sketch at each time and stroke. Despite its simplicity, SketchINR outperforms existing representations at multiple tasks: (i) Encoding an entire sketch dataset into a fixed size latent vector, SketchINR gives 60times and 10times data compression over raster and vector sketches, respectively. (ii) SketchINR's auto-decoder provides a much higher-fidelity representation than other learned vector sketch representations, and is uniquely able to scale to complex vector sketches such as FS-COCO. (iii) SketchINR supports parallelisation that can decode/render sim100times faster than other learned vector representations such as SketchRNN. (iv) SketchINR, for the first time, emulates the human ability to reproduce a sketch with varying abstraction in terms of number and complexity of strokes. As a first look at implicit sketches, SketchINR's compact high-fidelity representation will support future work in modelling long and complex sketches.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

The angular synchronization problem aims to accurately estimate (up to a constant additive phase) a set of unknown angles theta_1, dots, theta_nin[0, 2pi) from m noisy measurements of their offsets theta_i-theta_j ;mod ; 2pi. Applications include, for example, sensor network localization, phase retrieval, and distributed clock synchronization. An extension of the problem to the heterogeneous setting (dubbed k-synchronization) is to estimate k groups of angles simultaneously, given noisy observations (with unknown group assignment) from each group. Existing methods for angular synchronization usually perform poorly in high-noise regimes, which are common in applications. In this paper, we leverage neural networks for the angular synchronization problem, and its heterogeneous extension, by proposing GNNSync, a theoretically-grounded end-to-end trainable framework using directed graph neural networks. In addition, new loss functions are devised to encode synchronization objectives. Experimental results on extensive data sets demonstrate that GNNSync attains competitive, and often superior, performance against a comprehensive set of baselines for the angular synchronization problem and its extension, validating the robustness of GNNSync even at high noise levels.

Many complex robotic manipulation tasks can be decomposed as a sequence of pick and place actions. Training a robotic agent to learn this sequence over many different starting conditions typically requires many iterations or demonstrations, especially in 3D environments. In this work, we propose Fourier Transporter (FourTran) which leverages the two-fold SE(d)xSE(d) symmetry in the pick-place problem to achieve much higher sample efficiency. FourTran is an open-loop behavior cloning method trained using expert demonstrations to predict pick-place actions on new environments. FourTran is constrained to incorporate symmetries of the pick and place actions independently. Our method utilizes a fiber space Fourier transformation that allows for memory-efficient construction. We test our proposed network on the RLbench benchmark and achieve state-of-the-art results across various tasks.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

Implicit Neural Spatial Representation (INSR) has emerged as an effective representation of spatially-dependent vector fields. This work explores solving time-dependent PDEs with INSR. Classical PDE solvers introduce both temporal and spatial discretizations. Common spatial discretizations include meshes and meshless point clouds, where each degree-of-freedom corresponds to a location in space. While these explicit spatial correspondences are intuitive to model and understand, these representations are not necessarily optimal for accuracy, memory usage, or adaptivity. Keeping the classical temporal discretization unchanged (e.g., explicit/implicit Euler), we explore INSR as an alternative spatial discretization, where spatial information is implicitly stored in the neural network weights. The network weights then evolve over time via time integration. Our approach does not require any training data generated by existing solvers because our approach is the solver itself. We validate our approach on various PDEs with examples involving large elastic deformations, turbulent fluids, and multi-scale phenomena. While slower to compute than traditional representations, our approach exhibits higher accuracy and lower memory consumption. Whereas classical solvers can dynamically adapt their spatial representation only by resorting to complex remeshing algorithms, our INSR approach is intrinsically adaptive. By tapping into the rich literature of classic time integrators, e.g., operator-splitting schemes, our method enables challenging simulations in contact mechanics and turbulent flows where previous neural-physics approaches struggle. Videos and codes are available on the project page: http://www.cs.columbia.edu/cg/INSR-PDE/

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers, acting as the prior of the distribution, while the information of the forward model can be granted at the sampling stage. Nonetheless, as the generative process remains in the same high dimensional (i.e. identical to data dimension) space, the models have not been extended to 3D inverse problems due to the extremely high memory and computational cost. In this paper, we combine the ideas from the conventional model-based iterative reconstruction with the modern diffusion models, which leads to a highly effective method for solving 3D medical image reconstruction tasks such as sparse-view tomography, limited angle tomography, compressed sensing MRI from pre-trained 2D diffusion models. In essence, we propose to augment the 2D diffusion prior with a model-based prior in the remaining direction at test time, such that one can achieve coherent reconstructions across all dimensions. Our method can be run in a single commodity GPU, and establishes the new state-of-the-art, showing that the proposed method can perform reconstructions of high fidelity and accuracy even in the most extreme cases (e.g. 2-view 3D tomography). We further reveal that the generalization capacity of the proposed method is surprisingly high, and can be used to reconstruct volumes that are entirely different from the training dataset.

In computer graphics, there is a need to recover easily modifiable representations of 3D geometry and appearance from image data. We introduce a novel method for this task using 3D Gaussian Splatting, which enables intuitive scene editing through mesh adjustments. Starting with input images and camera poses, we reconstruct the underlying geometry using a neural Signed Distance Field and extract a high-quality mesh. Our model then estimates a set of Gaussians, where each component is flat, and the opacity is conditioned on the recovered neural surface. To facilitate editing, we produce a proxy representation that encodes information about the Gaussians' shape and position. Unlike other methods, our pipeline allows modifications applied to the extracted mesh to be propagated to the proxy representation, from which we recover the updated parameters of the Gaussians. This effectively transfers the mesh edits back to the recovered appearance representation. By leveraging mesh-guided transformations, our approach simplifies 3D scene editing and offers improvements over existing methods in terms of usability and visual fidelity of edits. The complete source code for this project can be accessed at https://github.com/WJakubowska/NeuralSurfacePriors

Recently, state space models have exhibited strong global modeling capabilities and linear computational complexity in contrast to transformers. This research focuses on applying such architecture to more efficiently and effectively model point cloud data globally with linear computational complexity. In particular, for the first time, we demonstrate that Mamba-based point cloud methods can outperform previous methods based on transformer or multi-layer perceptrons (MLPs). To enable Mamba to process 3-D point cloud data more effectively, we propose a novel Consistent Traverse Serialization method to convert point clouds into 1-D point sequences while ensuring that neighboring points in the sequence are also spatially adjacent. Consistent Traverse Serialization yields six variants by permuting the order of x, y, and z coordinates, and the synergistic use of these variants aids Mamba in comprehensively observing point cloud data. Furthermore, to assist Mamba in handling point sequences with different orders more effectively, we introduce point prompts to inform Mamba of the sequence's arrangement rules. Finally, we propose positional encoding based on spatial coordinate mapping to inject positional information into point cloud sequences more effectively. Point Cloud Mamba surpasses the state-of-the-art (SOTA) point-based method PointNeXt and achieves new SOTA performance on the ScanObjectNN, ModelNet40, ShapeNetPart, and S3DIS datasets. It is worth mentioning that when using a more powerful local feature extraction module, our PCM achieves 79.6 mIoU on S3DIS, significantly surpassing the previous SOTA models, DeLA and PTv3, by 5.5 mIoU and 4.9 mIoU, respectively.

3D Gaussian Splatting (3DGS) achieves fast and high-quality renderings by using numerous small Gaussians, which leads to significant memory consumption. This reliance on a large number of Gaussians restricts the application of 3DGS-based models on low-cost devices due to memory limitations. However, simply reducing the number of Gaussians to accommodate devices with less memory capacity leads to inferior quality compared to the quality that can be achieved on high-end hardware. To address this lack of scalability, we propose integrating a Flexible Level of Detail (FLoD) to 3DGS, to allow a scene to be rendered at varying levels of detail according to hardware capabilities. While existing 3DGSs with LoD focus on detailed reconstruction, our method provides reconstructions using a small number of Gaussians for reduced memory requirements, and a larger number of Gaussians for greater detail. Experiments demonstrate our various rendering options with tradeoffs between rendering quality and memory usage, thereby allowing real-time rendering across different memory constraints. Furthermore, we show that our method generalizes to different 3DGS frameworks, indicating its potential for integration into future state-of-the-art developments. Project page: https://3dgs-flod.github.io/flod.github.io/

As a promising fashion for visual localization, scene coordinate regression (SCR) has seen tremendous progress in the past decade. Most recent methods usually adopt neural networks to learn the mapping from image pixels to 3D scene coordinates, which requires a vast amount of annotated training data. We propose to leverage Neural Radiance Fields (NeRF) to generate training samples for SCR. Despite NeRF's efficiency in rendering, many of the rendered data are polluted by artifacts or only contain minimal information gain, which can hinder the regression accuracy or bring unnecessary computational costs with redundant data. These challenges are addressed in three folds in this paper: (1) A NeRF is designed to separately predict uncertainties for the rendered color and depth images, which reveal data reliability at the pixel level. (2) SCR is formulated as deep evidential learning with epistemic uncertainty, which is used to evaluate information gain and scene coordinate quality. (3) Based on the three arts of uncertainties, a novel view selection policy is formed that significantly improves data efficiency. Experiments on public datasets demonstrate that our method could select the samples that bring the most information gain and promote the performance with the highest efficiency.

Recent advancements in 3D scene editing have been propelled by the rapid development of generative models. Existing methods typically utilize generative models to perform text-guided editing on 3D representations, such as 3D Gaussian Splatting (3DGS). However, these methods are often limited to texture modifications and fail when addressing geometric changes, such as editing a character's head to turn around. Moreover, such methods lack accurate control over the spatial position of editing results, as language struggles to precisely describe the extent of edits. To overcome these limitations, we introduce DYG, an effective 3D drag-based editing method for 3D Gaussian Splatting. It enables users to conveniently specify the desired editing region and the desired dragging direction through the input of 3D masks and pairs of control points, thereby enabling precise control over the extent of editing. DYG integrates the strengths of the implicit triplane representation to establish the geometric scaffold of the editing results, effectively overcoming suboptimal editing outcomes caused by the sparsity of 3DGS in the desired editing regions. Additionally, we incorporate a drag-based Latent Diffusion Model into our method through the proposed Drag-SDS loss function, enabling flexible, multi-view consistent, and fine-grained editing. Extensive experiments demonstrate that DYG conducts effective drag-based editing guided by control point prompts, surpassing other baselines in terms of editing effect and quality, both qualitatively and quantitatively. Visit our project page at https://quyans.github.io/Drag-Your-Gaussian.

In this paper, we adopt the Universal Manifold Embedding (UME) framework for the estimation of rigid transformations and extend it, so that it can accommodate scenarios involving partial overlap and differently sampled point clouds. UME is a methodology designed for mapping observations of the same object, related by rigid transformations, into a single low-dimensional linear subspace. This process yields a transformation-invariant representation of the observations, with its matrix form representation being covariant (i.e. equivariant) with the transformation. We extend the UME framework by introducing a UME-compatible feature extraction method augmented with a unique UME contrastive loss and a sampling equalizer. These components are integrated into a comprehensive and robust registration pipeline, named UMERegRobust. We propose the RotKITTI registration benchmark, specifically tailored to evaluate registration methods for scenarios involving large rotations. UMERegRobust achieves better than state-of-the-art performance on the KITTI benchmark, especially when strict precision of (1{\deg}, 10cm) is considered (with an average gain of +9%), and notably outperform SOTA methods on the RotKITTI benchmark (with +45% gain compared the most recent SOTA method).

Existing Large Multimodal Models (LMMs) struggle with mathematical geometric reasoning due to a lack of high-quality image-text paired data. Current geometric data generation approaches, which apply preset templates to generate geometric data or use Large Language Models (LLMs) to rephrase questions and answers (Q&A), unavoidably limit data accuracy and diversity. To synthesize higher-quality data, we propose a two-stage Reverse Chain-of-Thought (R-CoT) geometry problem generation pipeline. First, we introduce GeoChain to produce high-fidelity geometric images and corresponding descriptions highlighting relations among geometric elements. We then design a Reverse A&Q method that reasons step-by-step based on the descriptions and generates questions in reverse from the reasoning results. Experiments demonstrate that the proposed method brings significant and consistent improvements on multiple LMM baselines, achieving new performance records in the 2B, 7B, and 8B settings. Notably, R-CoT-8B significantly outperforms previous state-of-the-art open-source mathematical models by 16.6% on MathVista and 9.2% on GeoQA, while also surpassing the closed-source model GPT-4o by an average of 13% across both datasets. The code is available at https://github.com/dle666/R-CoT.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Building world models that accurately and comprehensively represent the real world is the utmost aspiration for conditional image generative models as it would enable their use as world simulators. For these models to be successful world models, they should not only excel at image quality and prompt-image consistency but also ensure high representation diversity. However, current research in generative models mostly focuses on creative applications that are predominantly concerned with human preferences of image quality and aesthetics. We note that generative models have inference time mechanisms - or knobs - that allow the control of generation consistency, quality, and diversity. In this paper, we use state-of-the-art text-to-image and image-and-text-to-image models and their knobs to draw consistency-diversity-realism Pareto fronts that provide a holistic view on consistency-diversity-realism multi-objective. Our experiments suggest that realism and consistency can both be improved simultaneously; however there exists a clear tradeoff between realism/consistency and diversity. By looking at Pareto optimal points, we note that earlier models are better at representation diversity and worse in consistency/realism, and more recent models excel in consistency/realism while decreasing significantly the representation diversity. By computing Pareto fronts on a geodiverse dataset, we find that the first version of latent diffusion models tends to perform better than more recent models in all axes of evaluation, and there exist pronounced consistency-diversity-realism disparities between geographical regions. Overall, our analysis clearly shows that there is no best model and the choice of model should be determined by the downstream application. With this analysis, we invite the research community to consider Pareto fronts as an analytical tool to measure progress towards world models.

Novel view synthesis for dynamic scenes is still a challenging problem in computer vision and graphics. Recently, Gaussian splatting has emerged as a robust technique to represent static scenes and enable high-quality and real-time novel view synthesis. Building upon this technique, we propose a new representation that explicitly decomposes the motion and appearance of dynamic scenes into sparse control points and dense Gaussians, respectively. Our key idea is to use sparse control points, significantly fewer in number than the Gaussians, to learn compact 6 DoF transformation bases, which can be locally interpolated through learned interpolation weights to yield the motion field of 3D Gaussians. We employ a deformation MLP to predict time-varying 6 DoF transformations for each control point, which reduces learning complexities, enhances learning abilities, and facilitates obtaining temporal and spatial coherent motion patterns. Then, we jointly learn the 3D Gaussians, the canonical space locations of control points, and the deformation MLP to reconstruct the appearance, geometry, and dynamics of 3D scenes. During learning, the location and number of control points are adaptively adjusted to accommodate varying motion complexities in different regions, and an ARAP loss following the principle of as rigid as possible is developed to enforce spatial continuity and local rigidity of learned motions. Finally, thanks to the explicit sparse motion representation and its decomposition from appearance, our method can enable user-controlled motion editing while retaining high-fidelity appearances. Extensive experiments demonstrate that our approach outperforms existing approaches on novel view synthesis with a high rendering speed and enables novel appearance-preserved motion editing applications. Project page: https://yihua7.github.io/SC-GS-web/

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

With the advent of large-scale 3D datasets, feed-forward 3D generative models, such as the Large Reconstruction Model (LRM), have gained significant attention and achieved remarkable success. However, we observe that RGB images often lead to conflicting training objectives and lack the necessary clarity for geometry reconstruction. In this paper, we revisit the inductive biases associated with mesh reconstruction and introduce DiMeR, a novel disentangled dual-stream feed-forward model for sparse-view mesh reconstruction. The key idea is to disentangle both the input and framework into geometry and texture parts, thereby reducing the training difficulty for each part according to the Principle of Occam's Razor. Given that normal maps are strictly consistent with geometry and accurately capture surface variations, we utilize normal maps as exclusive input for the geometry branch to reduce the complexity between the network's input and output. Moreover, we improve the mesh extraction algorithm to introduce 3D ground truth supervision. As for texture branch, we use RGB images as input to obtain the textured mesh. Overall, DiMeR demonstrates robust capabilities across various tasks, including sparse-view reconstruction, single-image-to-3D, and text-to-3D. Numerous experiments show that DiMeR significantly outperforms previous methods, achieving over 30% improvement in Chamfer Distance on the GSO and OmniObject3D dataset.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery. An extremely fast computational binding method would enable key applications such as fast virtual screening or drug engineering. Existing methods are computationally expensive as they rely on heavy candidate sampling coupled with scoring, ranking, and fine-tuning steps. We challenge this paradigm with EquiBind, an SE(3)-equivariant geometric deep learning model performing direct-shot prediction of both i) the receptor binding location (blind docking) and ii) the ligand's bound pose and orientation. EquiBind achieves significant speed-ups and better quality compared to traditional and recent baselines. Further, we show extra improvements when coupling it with existing fine-tuning techniques at the cost of increased running time. Finally, we propose a novel and fast fine-tuning model that adjusts torsion angles of a ligand's rotatable bonds based on closed-form global minima of the von Mises angular distance to a given input atomic point cloud, avoiding previous expensive differential evolution strategies for energy minimization.

To achieve scalable and accurate inference for latent Gaussian processes, we propose a variational approximation based on a family of Gaussian distributions whose covariance matrices have sparse inverse Cholesky (SIC) factors. We combine this variational approximation of the posterior with a similar and efficient SIC-restricted Kullback-Leibler-optimal approximation of the prior. We then focus on a particular SIC ordering and nearest-neighbor-based sparsity pattern resulting in highly accurate prior and posterior approximations. For this setting, our variational approximation can be computed via stochastic gradient descent in polylogarithmic time per iteration. We provide numerical comparisons showing that the proposed double-Kullback-Leibler-optimal Gaussian-process approximation (DKLGP) can sometimes be vastly more accurate for stationary kernels than alternative approaches such as inducing-point and mean-field approximations at similar computational complexity.

This paper introduces a novel framework for virtual try-on, termed Wear-Any-Way. Different from previous methods, Wear-Any-Way is a customizable solution. Besides generating high-fidelity results, our method supports users to precisely manipulate the wearing style. To achieve this goal, we first construct a strong pipeline for standard virtual try-on, supporting single/multiple garment try-on and model-to-model settings in complicated scenarios. To make it manipulable, we propose sparse correspondence alignment which involves point-based control to guide the generation for specific locations. With this design, Wear-Any-Way gets state-of-the-art performance for the standard setting and provides a novel interaction form for customizing the wearing style. For instance, it supports users to drag the sleeve to make it rolled up, drag the coat to make it open, and utilize clicks to control the style of tuck, etc. Wear-Any-Way enables more liberated and flexible expressions of the attires, holding profound implications in the fashion industry.

In this paper, we present Gaussian Splatting based text-to-3D generation (GSGEN), a novel approach for generating high-quality 3D objects. Previous methods suffer from inaccurate geometry and limited fidelity due to the absence of 3D prior and proper representation. We leverage 3D Gaussian Splatting, a recent state-of-the-art representation, to address existing shortcomings by exploiting the explicit nature that enables the incorporation of 3D prior. Specifically, our method adopts a progressive optimization strategy, which includes a geometry optimization stage and an appearance refinement stage. In geometry optimization, a coarse representation is established under a 3D geometry prior along with the ordinary 2D SDS loss, ensuring a sensible and 3D-consistent rough shape. Subsequently, the obtained Gaussians undergo an iterative refinement to enrich details. In this stage, we increase the number of Gaussians by compactness-based densification to enhance continuity and improve fidelity. With these designs, our approach can generate 3D content with delicate details and more accurate geometry. Extensive evaluations demonstrate the effectiveness of our method, especially for capturing high-frequency components. Video results are provided at https://gsgen3d.github.io. Our code is available at https://github.com/gsgen3d/gsgen

Advancements in text-to-image diffusion models have led to significant progress in fast 3D content creation. One common approach is to generate a set of multi-view images of an object, and then reconstruct it into a 3D model. However, this approach bypasses the use of a native 3D representation of the object and is hence prone to geometric artifacts and limited in controllability and manipulation capabilities. An alternative approach involves native 3D generative models that directly produce 3D representations. These models, however, are typically limited in their resolution, resulting in lower quality 3D objects. In this work, we bridge the quality gap between methods that directly generate 3D representations and ones that reconstruct 3D objects from multi-view images. We introduce a multi-view to multi-view diffusion model called Sharp-It, which takes a 3D consistent set of multi-view images rendered from a low-quality object and enriches its geometric details and texture. The diffusion model operates on the multi-view set in parallel, in the sense that it shares features across the generated views. A high-quality 3D model can then be reconstructed from the enriched multi-view set. By leveraging the advantages of both 2D and 3D approaches, our method offers an efficient and controllable method for high-quality 3D content creation. We demonstrate that Sharp-It enables various 3D applications, such as fast synthesis, editing, and controlled generation, while attaining high-quality assets.

Training state-of-the-art vision models has become prohibitively expensive for researchers and practitioners. For the sake of accessibility and resource reuse, it is important to focus on adapting these models to a variety of downstream scenarios. An interesting and practical paradigm is online test-time adaptation, according to which training data is inaccessible, no labelled data from the test distribution is available, and adaptation can only happen at test time and on a handful of samples. In this paper, we investigate how test-time adaptation methods fare for a number of pre-trained models on a variety of real-world scenarios, significantly extending the way they have been originally evaluated. We show that they perform well only in narrowly-defined experimental setups and sometimes fail catastrophically when their hyperparameters are not selected for the same scenario in which they are being tested. Motivated by the inherent uncertainty around the conditions that will ultimately be encountered at test time, we propose a particularly "conservative" approach, which addresses the problem with a Laplacian Adjusted Maximum-likelihood Estimation (LAME) objective. By adapting the model's output (not its parameters), and solving our objective with an efficient concave-convex procedure, our approach exhibits a much higher average accuracy across scenarios than existing methods, while being notably faster and have a much lower memory footprint. The code is available at https://github.com/fiveai/LAME.

We study the problem of estimating the time delay between two signals representing delayed, irregularly sampled and noisy versions of the same underlying pattern. We propose and demonstrate an evolutionary algorithm for the (hyper)parameter estimation of a kernel-based technique in the context of an astronomical problem, namely estimating the time delay between two gravitationally lensed signals from a distant quasar. Mixed types (integer and real) are used to represent variables within the evolutionary algorithm. We test the algorithm on several artificial data sets, and also on real astronomical observations of quasar Q0957+561. By carrying out a statistical analysis of the results we present a detailed comparison of our method with the most popular methods for time delay estimation in astrophysics. Our method yields more accurate and more stable time delay estimates: for Q0957+561, we obtain 419.6 days for the time delay between images A and B. Our methodology can be readily applied to current state-of-the-art optical monitoring data in astronomy, but can also be applied in other disciplines involving similar time series data.

Mapping high-fidelity 3D geometry to a representation that allows for intuitive edits remains an elusive goal in computer vision and graphics. The key challenge is the need to model both continuous and discrete shape variations. Current approaches, such as implicit shape representation, lack straightforward interpretable encoding, while others that employ procedural methods output coarse geometry. We present GeoCode, a technique for 3D shape synthesis using an intuitively editable parameter space. We build a novel program that enforces a complex set of rules and enables users to perform intuitive and controlled high-level edits that procedurally propagate at a low level to the entire shape. Our program produces high-quality mesh outputs by construction. We use a neural network to map a given point cloud or sketch to our interpretable parameter space. Once produced by our procedural program, shapes can be easily modified. Empirically, we show that GeoCode can infer and recover 3D shapes more accurately compared to existing techniques and we demonstrate its ability to perform controlled local and global shape manipulations.

We study the problem of detecting the correlation between two Gaussian databases XinR^{ntimes d} and Y^{ntimes d}, each composed of n users with d features. This problem is relevant in the analysis of social media, computational biology, etc. We formulate this as a hypothesis testing problem: under the null hypothesis, these two databases are statistically independent. Under the alternative, however, there exists an unknown permutation sigma over the set of n users (or, row permutation), such that X is rho-correlated with Y^sigma, a permuted version of Y. We determine sharp thresholds at which optimal testing exhibits a phase transition, depending on the asymptotic regime of n and d. Specifically, we prove that if rho^2dto0, as dtoinfty, then weak detection (performing slightly better than random guessing) is statistically impossible, irrespectively of the value of n. This compliments the performance of a simple test that thresholds the sum all entries of X^TY. Furthermore, when d is fixed, we prove that strong detection (vanishing error probability) is impossible for any rho<rho^star, where rho^star is an explicit function of d, while weak detection is again impossible as long as rho^2dto0. These results close significant gaps in current recent related studies.

In machine learning, generalization against distribution shifts -- where deployment conditions diverge from the training scenarios -- is crucial, particularly in fields like climate modeling, biomedicine, and autonomous driving. The emergence of foundation models, distinguished by their extensive pretraining and task versatility, has led to an increased interest in their adaptability to distribution shifts. GPT-4V(ision) acts as the most advanced publicly accessible multimodal foundation model, with extensive applications across various domains, including anomaly detection, video understanding, image generation, and medical diagnosis. However, its robustness against data distributions remains largely underexplored. Addressing this gap, this study rigorously evaluates GPT-4V's adaptability and generalization capabilities in dynamic environments, benchmarking against prominent models like CLIP and LLaVA. We delve into GPT-4V's zero-shot generalization across 13 diverse datasets spanning natural, medical, and molecular domains. We further investigate its adaptability to controlled data perturbations and examine the efficacy of in-context learning as a tool to enhance its adaptation. Our findings delineate GPT-4V's capability boundaries in distribution shifts, shedding light on its strengths and limitations across various scenarios. Importantly, this investigation contributes to our understanding of how AI foundation models generalize to distribution shifts, offering pivotal insights into their adaptability and robustness. Code is publicly available at https://github.com/jameszhou-gl/gpt-4v-distribution-shift.

Supervised learning is often affected by a covariate shift in which the marginal distributions of instances (covariates x) of training and testing samples p_tr(x) and p_te(x) are different but the label conditionals coincide. Existing approaches address such covariate shift by either using the ratio p_te(x)/p_tr(x) to weight training samples (reweighted methods) or using the ratio p_tr(x)/p_te(x) to weight testing samples (robust methods). However, the performance of such approaches can be poor under support mismatch or when the above ratios take large values. We propose a minimax risk classification (MRC) approach for covariate shift adaptation that avoids such limitations by weighting both training and testing samples. In addition, we develop effective techniques that obtain both sets of weights and generalize the conventional kernel mean matching method. We provide novel generalization bounds for our method that show a significant increase in the effective sample size compared with reweighted methods. The proposed method also achieves enhanced classification performance in both synthetic and empirical experiments.

We propose a novel method for geolocalizing Unmanned Aerial Vehicles (UAVs) in environments lacking Global Navigation Satellite Systems (GNSS). Current state-of-the-art techniques employ an offline-trained encoder to generate a vector representation (embedding) of the UAV's current view, which is then compared with pre-computed embeddings of geo-referenced images to determine the UAV's position. Here, we demonstrate that the performance of these methods can be significantly enhanced by preprocessing the images to extract their edges, which exhibit robustness to seasonal and illumination variations. Furthermore, we establish that utilizing edges enhances resilience to orientation and altitude inaccuracies. Additionally, we introduce a confidence criterion for localization. Our findings are substantiated through synthetic experiments.

The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.

Text-to-3D generation has achieved remarkable success via large-scale text-to-image diffusion models. Nevertheless, there is no paradigm for scaling up the methodology to urban scale. Urban scenes, characterized by numerous elements, intricate arrangement relationships, and vast scale, present a formidable barrier to the interpretability of ambiguous textual descriptions for effective model optimization. In this work, we surmount the limitations by introducing a compositional 3D layout representation into text-to-3D paradigm, serving as an additional prior. It comprises a set of semantic primitives with simple geometric structures and explicit arrangement relationships, complementing textual descriptions and enabling steerable generation. Upon this, we propose two modifications -- (1) We introduce Layout-Guided Variational Score Distillation to address model optimization inadequacies. It conditions the score distillation sampling process with geometric and semantic constraints of 3D layouts. (2) To handle the unbounded nature of urban scenes, we represent 3D scene with a Scalable Hash Grid structure, incrementally adapting to the growing scale of urban scenes. Extensive experiments substantiate the capability of our framework to scale text-to-3D generation to large-scale urban scenes that cover over 1000m driving distance for the first time. We also present various scene editing demonstrations, showing the powers of steerable urban scene generation. Website: https://urbanarchitect.github.io.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

Learning causal structure from observational data often assumes that we observe independent and identically distributed (i.\,i.\,d) data. The traditional approach aims to find a graphical representation that encodes the same set of conditional independence relationships as those present in the observed distribution. It is known that under i.\,i.\,d assumption, even with infinite data, there is a limit to how fine-grained a causal structure we can identify. To overcome this limitation, recent work has explored using data originating from different, related environments to learn richer causal structure. These approaches implicitly rely on the independent causal mechanisms (ICM) principle, which postulates that the mechanism giving rise to an effect given its causes and the mechanism which generates the causes do not inform or influence each other. Thus, components of the causal model can independently change from environment to environment. Despite its wide application in machine learning and causal inference, there is a lack of statistical formalization of the ICM principle and how it enables identification of richer causal structures from grouped data. Here we present new causal de Finetti theorems which offer a first statistical formalization of ICM principle and show how causal structure identification is possible from exchangeable data. Our work provides theoretical justification for a broad range of techniques leveraging multi-environment data to learn causal structure.

The availability of large-scale multimodal datasets and advancements in diffusion models have significantly accelerated progress in 4D content generation. Most prior approaches rely on multiple image or video diffusion models, utilizing score distillation sampling for optimization or generating pseudo novel views for direct supervision. However, these methods are hindered by slow optimization speeds and multi-view inconsistency issues. Spatial and temporal consistency in 4D geometry has been extensively explored respectively in 3D-aware diffusion models and traditional monocular video diffusion models. Building on this foundation, we propose a strategy to migrate the temporal consistency in video diffusion models to the spatial-temporal consistency required for 4D generation. Specifically, we present a novel framework, Diffusion4D, for efficient and scalable 4D content generation. Leveraging a meticulously curated dynamic 3D dataset, we develop a 4D-aware video diffusion model capable of synthesizing orbital views of dynamic 3D assets. To control the dynamic strength of these assets, we introduce a 3D-to-4D motion magnitude metric as guidance. Additionally, we propose a novel motion magnitude reconstruction loss and 3D-aware classifier-free guidance to refine the learning and generation of motion dynamics. After obtaining orbital views of the 4D asset, we perform explicit 4D construction with Gaussian splatting in a coarse-to-fine manner. The synthesized multi-view consistent 4D image set enables us to swiftly generate high-fidelity and diverse 4D assets within just several minutes. Extensive experiments demonstrate that our method surpasses prior state-of-the-art techniques in terms of generation efficiency and 4D geometry consistency across various prompt modalities.

Point cloud registration is challenging in the presence of heavy outlier correspondences. This paper focuses on addressing the robust correspondence-based registration problem with gravity prior that often arises in practice. The gravity directions are typically obtained by inertial measurement units (IMUs) and can reduce the degree of freedom (DOF) of rotation from 3 to 1. We propose a novel transformation decoupling strategy by leveraging screw theory. This strategy decomposes the original 4-DOF problem into three sub-problems with 1-DOF, 2-DOF, and 1-DOF, respectively, thereby enhancing the computation efficiency. Specifically, the first 1-DOF represents the translation along the rotation axis and we propose an interval stabbing-based method to solve it. The second 2-DOF represents the pole which is an auxiliary variable in screw theory and we utilize a branch-and-bound method to solve it. The last 1-DOF represents the rotation angle and we propose a global voting method for its estimation. The proposed method sequentially solves three consensus maximization sub-problems, leading to efficient and deterministic registration. In particular, it can even handle the correspondence-free registration problem due to its significant robustness. Extensive experiments on both synthetic and real-world datasets demonstrate that our method is more efficient and robust than state-of-the-art methods, even when dealing with outlier rates exceeding 99%.

We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class, RFDiffusion(RFD), uses popular epsilon-nearest-neighbor graph representations for point clouds. Both can be viewed as providing the functionality of Fast Multipole Methods (FMMs), which have had a tremendous impact on efficient integration, but for non-Euclidean spaces. We focus on geometries induced by distributions of walk lengths between points (e.g., shortest-path distance). We provide an extensive theoretical analysis of our algorithms, obtaining new results in structural graph theory as a byproduct. We also perform exhaustive empirical evaluation, including on-surface interpolation for rigid and deformable objects (particularly for mesh-dynamics modeling), Wasserstein distance computations for point clouds, and the Gromov-Wasserstein variant.

We introduce DragView, a novel and interactive framework for generating novel views of unseen scenes. DragView initializes the new view from a single source image, and the rendering is supported by a sparse set of unposed multi-view images, all seamlessly executed within a single feed-forward pass. Our approach begins with users dragging a source view through a local relative coordinate system. Pixel-aligned features are obtained by projecting the sampled 3D points along the target ray onto the source view. We then incorporate a view-dependent modulation layer to effectively handle occlusion during the projection. Additionally, we broaden the epipolar attention mechanism to encompass all source pixels, facilitating the aggregation of initialized coordinate-aligned point features from other unposed views. Finally, we employ another transformer to decode ray features into final pixel intensities. Crucially, our framework does not rely on either 2D prior models or the explicit estimation of camera poses. During testing, DragView showcases the capability to generalize to new scenes unseen during training, also utilizing only unposed support images, enabling the generation of photo-realistic new views characterized by flexible camera trajectories. In our experiments, we conduct a comprehensive comparison of the performance of DragView with recent scene representation networks operating under pose-free conditions, as well as with generalizable NeRFs subject to noisy test camera poses. DragView consistently demonstrates its superior performance in view synthesis quality, while also being more user-friendly. Project page: https://zhiwenfan.github.io/DragView/.

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.

We present a new approach, termed GPS-Gaussian, for synthesizing novel views of a character in a real-time manner. The proposed method enables 2K-resolution rendering under a sparse-view camera setting. Unlike the original Gaussian Splatting or neural implicit rendering methods that necessitate per-subject optimizations, we introduce Gaussian parameter maps defined on the source views and regress directly Gaussian Splatting properties for instant novel view synthesis without any fine-tuning or optimization. To this end, we train our Gaussian parameter regression module on a large amount of human scan data, jointly with a depth estimation module to lift 2D parameter maps to 3D space. The proposed framework is fully differentiable and experiments on several datasets demonstrate that our method outperforms state-of-the-art methods while achieving an exceeding rendering speed.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

The integration of artificial intelligence in image-guided interventions holds transformative potential, promising to extract 3D geometric and quantitative information from conventional 2D imaging modalities during complex procedures. Achieving this requires the rapid and precise alignment of 2D intraoperative images (e.g., X-ray) with 3D preoperative volumes (e.g., CT, MRI). However, current 2D/3D registration methods fail across the broad spectrum of procedures dependent on X-ray guidance: traditional optimization techniques require custom parameter tuning for each subject, whereas neural networks trained on small datasets do not generalize to new patients or require labor-intensive manual annotations, increasing clinical burden and precluding application to new anatomical targets. To address these challenges, we present xvr, a fully automated framework for training patient-specific neural networks for 2D/3D registration. xvr uses physics-based simulation to generate abundant high-quality training data from a patient's own preoperative volumetric imaging, thereby overcoming the inherently limited ability of supervised models to generalize to new patients and procedures. Furthermore, xvr requires only 5 minutes of training per patient, making it suitable for emergency interventions as well as planned procedures. We perform the largest evaluation of a 2D/3D registration algorithm on real X-ray data to date and find that xvr robustly generalizes across a diverse dataset comprising multiple anatomical structures, imaging modalities, and hospitals. Across surgical tasks, xvr achieves submillimeter-accurate registration at intraoperative speeds, improving upon existing methods by an order of magnitude. xvr is released as open-source software freely available at https://github.com/eigenvivek/xvr.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

Current 3D content generation builds on generative models that output RGB images. Modern graphics pipelines, however, require physically-based rendering (PBR) material properties. We propose to model the PBR image distribution directly to avoid photometric inaccuracies in RGB generation and the inherent ambiguity in extracting PBR from RGB. Existing paradigms for cross-modal finetuning are not suited for PBR generation due to a lack of data and the high dimensionality of the output modalities: we overcome both challenges by retaining a frozen RGB model and tightly linking a newly trained PBR model using a novel cross-network communication paradigm. As the base RGB model is fully frozen, the proposed method does not risk catastrophic forgetting during finetuning and remains compatible with techniques such as IPAdapter pretrained for the base RGB model. We validate our design choices, robustness to data sparsity, and compare against existing paradigms with an extensive experimental section.

Following the advent of NeRFs, 3D Gaussian Splatting (3D-GS) has paved the way to real-time neural rendering overcoming the computational burden of volumetric methods. Following the pioneering work of 3D-GS, several methods have attempted to achieve compressible and high-fidelity performance alternatives. However, by employing a geometry-agnostic optimization scheme, these methods neglect the inherent 3D structure of the scene, thereby restricting the expressivity and the quality of the representation, resulting in various floating points and artifacts. In this work, we propose a structure-aware Gaussian Splatting method (SAGS) that implicitly encodes the geometry of the scene, which reflects to state-of-the-art rendering performance and reduced storage requirements on benchmark novel-view synthesis datasets. SAGS is founded on a local-global graph representation that facilitates the learning of complex scenes and enforces meaningful point displacements that preserve the scene's geometry. Additionally, we introduce a lightweight version of SAGS, using a simple yet effective mid-point interpolation scheme, which showcases a compact representation of the scene with up to 24times size reduction without the reliance on any compression strategies. Extensive experiments across multiple benchmark datasets demonstrate the superiority of SAGS compared to state-of-the-art 3D-GS methods under both rendering quality and model size. Besides, we demonstrate that our structure-aware method can effectively mitigate floating artifacts and irregular distortions of previous methods while obtaining precise depth maps. Project page https://eververas.github.io/SAGS/.

Text-to-3D generation has achieved significant success by incorporating powerful 2D diffusion models, but insufficient 3D prior knowledge also leads to the inconsistency of 3D geometry. Recently, since large-scale multi-view datasets have been released, fine-tuning the diffusion model on the multi-view datasets becomes a mainstream to solve the 3D inconsistency problem. However, it has confronted with fundamental difficulties regarding the limited quality and diversity of 3D data, compared with 2D data. To sidestep these trade-offs, we explore a retrieval-augmented approach tailored for score distillation, dubbed RetDream. We postulate that both expressiveness of 2D diffusion models and geometric consistency of 3D assets can be fully leveraged by employing the semantically relevant assets directly within the optimization process. To this end, we introduce novel framework for retrieval-based quality enhancement in text-to-3D generation. We leverage the retrieved asset to incorporate its geometric prior in the variational objective and adapt the diffusion model's 2D prior toward view consistency, achieving drastic improvements in both geometry and fidelity of generated scenes. We conduct extensive experiments to demonstrate that RetDream exhibits superior quality with increased geometric consistency. Project page is available at https://ku-cvlab.github.io/RetDream/.

Galaxy clusters selected based on overdensities of galaxies in photometric surveys provide the largest cluster samples. Yet modeling the selection function of such samples is complicated by non-cluster members projected along the line of sight (projection effects) and the potential detection of unvirialized objects (contamination). We empirically constrain the magnitude of these effects by cross-matching galaxy clusters selected in the Dark Energy survey data with the \rdmpr, algorithm with significant detections in three South Pole Telescope surveys (SZ, pol-ECS, pol-500d). For matched clusters, we augment the \rdmpr,catalog by the SPT detection significance. For unmatched objects we use the SPT detection threshold as an upper limit on the SZe signature. Using a Bayesian population model applied to the collected multi-wavelength data, we explore various physically motivated models to describe the relationship between observed richness and halo mass. Our analysis reveals the limitations of a simple lognormal scatter model in describing the data. We rule out significant contamination by unvirialized objects at the high-richness end of the sample. While dedicated simulations offer a well-fitting calibration of projection effects, our findings suggest the presence of redshift-dependent trends that these simulations may not have captured. Our findings highlight that modeling the selection function of optically detected clusters remains a complicated challenge, requiring a combination of simulation and data-driven approaches.

A sample of 60,410 bona fide optical quasars with astrometric proper motions in Gaia EDR3 and spectroscopic redshifts above 0.5 in an oval 8400 square degree area of the sky is constructed. Using orthogonal Zernike functions of polar coordinates, the proper motion fields are fitted in a weighted least-squares adjustment of the entire sample and of six equal bins of sorted redshifts. The overall fit with 37 Zernike functions reveals a statistically significant pattern, which is likely to be of instrumental origin. The main feature of this pattern is a chain of peaks and dips mostly in the R.A. component with an amplitude of 25~muas yr^{-1}. This field is subtracted from each of the six analogous fits for quasars grouped by redshifts covering the range 0.5 through 7.03, with median values 0.72, 1.00, 1.25, 1.52, 1.83, 2.34. The resulting residual patterns are noisier, with formal uncertainties up to 8~muas yr^{-1} in the central part of the area. We detect a single high-confidence Zernike term for R.A. proper motion components of quasars with redshifts around 1.52 representing a general gradient of 30 muas yr^{-1} over 150degr on the sky. We do not find any small- or medium-scale systemic variations of the residual proper motion field as functions of redshift above the 2.5,sigma significance level.