Daily Papers

In this paper, we~present a novel scheduling solution for a class of System-on-Chip (SoC) systems where heterogeneous chip resources (DSP, FPGA, GPU, etc.) must be efficiently scheduled for continuously arriving hierarchical jobs with their tasks represented by a directed acyclic graph. Traditionally, heuristic algorithms have been widely used for many resource scheduling domains, and Heterogeneous Earliest Finish Time (HEFT) has been a dominating state-of-the-art technique across a broad range of heterogeneous resource scheduling domains over many years. Despite their long-standing popularity, HEFT-like algorithms are known to be vulnerable to a small amount of noise added to the environment. Our Deep Reinforcement Learning (DRL)-based SoC Scheduler (DeepSoCS), capable of learning the "best" task ordering under dynamic environment changes, overcomes the brittleness of rule-based schedulers such as HEFT with significantly higher performance across different types of jobs. We~describe a DeepSoCS design process using a real-time heterogeneous SoC scheduling emulator, discuss major challenges, and present two novel neural network design features that lead to outperforming HEFT: (i) hierarchical job- and task-graph embedding; and (ii) efficient use of real-time task information in the state space. Furthermore, we~introduce effective techniques to address two fundamental challenges present in our environment: delayed consequences and joint actions. Through an extensive simulation study, we~show that our DeepSoCS exhibits the significantly higher performance of job execution time than that of HEFT with a higher level of robustness under realistic noise conditions. We~conclude with a discussion of the potential improvements for our DeepSoCS neural scheduler.

With the scale capability of increasing training data, model size, and computational cost, video generation has achieved impressive results in digital creation, enabling users to express creativity across various domains. Recently, researchers in Large Language Models (LLMs) have expanded the scaling to test-time, which can significantly improve LLM performance by using more inference-time computation. Instead of scaling up video foundation models through expensive training costs, we explore the power of Test-Time Scaling (TTS) in video generation, aiming to answer the question: if a video generation model is allowed to use non-trivial amount of inference-time compute, how much can it improve generation quality given a challenging text prompt. In this work, we reinterpret the test-time scaling of video generation as a searching problem to sample better trajectories from Gaussian noise space to the target video distribution. Specifically, we build the search space with test-time verifiers to provide feedback and heuristic algorithms to guide searching process. Given a text prompt, we first explore an intuitive linear search strategy by increasing noise candidates at inference time. As full-step denoising all frames simultaneously requires heavy test-time computation costs, we further design a more efficient TTS method for video generation called Tree-of-Frames (ToF) that adaptively expands and prunes video branches in an autoregressive manner. Extensive experiments on text-conditioned video generation benchmarks demonstrate that increasing test-time compute consistently leads to significant improvements in the quality of videos. Project page: https://liuff19.github.io/Video-T1

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis planning as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.

Navigation in unfamiliar environments presents a major challenge for robots: while mapping and planning techniques can be used to build up a representation of the world, quickly discovering a path to a desired goal in unfamiliar settings with such methods often requires lengthy mapping and exploration. Humans can rapidly navigate new environments, particularly indoor environments that are laid out logically, by leveraging semantics -- e.g., a kitchen often adjoins a living room, an exit sign indicates the way out, and so forth. Language models can provide robots with such knowledge, but directly using language models to instruct a robot how to reach some destination can also be impractical: while language models might produce a narrative about how to reach some goal, because they are not grounded in real-world observations, this narrative might be arbitrarily wrong. Therefore, in this paper we study how the ``semantic guesswork'' produced by language models can be utilized as a guiding heuristic for planning algorithms. Our method, Language Frontier Guide (LFG), uses the language model to bias exploration of novel real-world environments by incorporating the semantic knowledge stored in language models as a search heuristic for planning with either topological or metric maps. We evaluate LFG in challenging real-world environments and simulated benchmarks, outperforming uninformed exploration and other ways of using language models.

Many NLP models operate over sequences of subword tokens produced by hand-crafted tokenization rules and heuristic subword induction algorithms. A simple universal alternative is to represent every computerized text as a sequence of bytes via UTF-8, obviating the need for an embedding layer since there are fewer token types (256) than dimensions. Surprisingly, replacing the ubiquitous embedding layer with one-hot representations of each byte does not hurt performance; experiments on byte-to-byte machine translation from English to 10 different languages show a consistent improvement in BLEU, rivaling character-level and even standard subword-level models. A deeper investigation reveals that the combination of embeddingless models with decoder-input dropout amounts to token dropout, which benefits byte-to-byte models in particular.

Do large language models (LLMs) solve reasoning tasks by learning robust generalizable algorithms, or do they memorize training data? To investigate this question, we use arithmetic reasoning as a representative task. Using causal analysis, we identify a subset of the model (a circuit) that explains most of the model's behavior for basic arithmetic logic and examine its functionality. By zooming in on the level of individual circuit neurons, we discover a sparse set of important neurons that implement simple heuristics. Each heuristic identifies a numerical input pattern and outputs corresponding answers. We hypothesize that the combination of these heuristic neurons is the mechanism used to produce correct arithmetic answers. To test this, we categorize each neuron into several heuristic types-such as neurons that activate when an operand falls within a certain range-and find that the unordered combination of these heuristic types is the mechanism that explains most of the model's accuracy on arithmetic prompts. Finally, we demonstrate that this mechanism appears as the main source of arithmetic accuracy early in training. Overall, our experimental results across several LLMs show that LLMs perform arithmetic using neither robust algorithms nor memorization; rather, they rely on a "bag of heuristics".

Solving NP-hard problems traditionally relies on heuristics, yet manually designing effective heuristics for complex problems remains a significant challenge. While recent advancements like FunSearch have shown that large language models (LLMs) can be integrated into evolutionary algorithms (EAs) for heuristic design, their potential is hindered by limitations in balancing exploitation and exploration. We introduce Quality-Uncertainty Balanced Evolution (QUBE), a novel approach that enhances LLM+EA methods by redefining the priority criterion within the FunSearch framework. QUBE employs the Quality-Uncertainty Trade-off Criterion (QUTC), based on our proposed Uncertainty-Inclusive Quality metric, to evaluate and guide the evolutionary process. Through extensive experiments on challenging NP-complete problems, QUBE demonstrates significant performance improvements over FunSearch and baseline methods. Our code are available at https://github.com/zzjchen/QUBE\_code.

Morphing attacks are an emerging threat to state-of-the-art Face Recognition (FR) systems, which aim to create a single image that contains the biometric information of multiple identities. Diffusion Morphs (DiM) are a recently proposed morphing attack that has achieved state-of-the-art performance for representation-based morphing attacks. However, none of the existing research on DiMs have leveraged the iterative nature of DiMs and left the DiM model as a black box, treating it no differently than one would a Generative Adversarial Network (GAN) or Varational AutoEncoder (VAE). We propose a greedy strategy on the iterative sampling process of DiM models which searches for an optimal step guided by an identity-based heuristic function. We compare our proposed algorithm against ten other state-of-the-art morphing algorithms using the open-source SYN-MAD 2022 competition dataset. We find that our proposed algorithm is unreasonably effective, fooling all of the tested FR systems with an MMPMR of 100%, outperforming all other morphing algorithms compared.

The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, is simpler to implement. It solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.

This paper proposes a novel admission and routing scheme which takes into account arbitrarily assigned priorities for network flows. The presented approach leverages the centralized Software Defined Networking (SDN) capabilities in order to do so. Exact and heuristic approaches to the stated Priority Flow Admission and Routing (PFAR) problem are provided. The exact approach which provides an optimal solution is based on Integer Linear Programming (ILP). Given the potentially long running time required to find an exact and optimal solution, a heuristic approach is proposed; this approach is based on Genetic Algorithms (GAs). In order to effectively estimate the performance of the proposed approaches, a simulator that is capable of generating semi-random network topologies and flows has been developed. Experimental results for large problem instances (up 50 network nodes and thousands of network flows), show that: i) an optimal solution can be often found in few seconds (even milliseconds), and ii) the heuristic approach yields close-to-optimal solutions (approximately 95\% of the optimal) in a fixed amount of time; these experimental results demonstrate the pertinence of the proposed approaches.

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

We introduce SonicSense, a holistic design of hardware and software to enable rich robot object perception through in-hand acoustic vibration sensing. While previous studies have shown promising results with acoustic sensing for object perception, current solutions are constrained to a handful of objects with simple geometries and homogeneous materials, single-finger sensing, and mixing training and testing on the same objects. SonicSense enables container inventory status differentiation, heterogeneous material prediction, 3D shape reconstruction, and object re-identification from a diverse set of 83 real-world objects. Our system employs a simple but effective heuristic exploration policy to interact with the objects as well as end-to-end learning-based algorithms to fuse vibration signals to infer object properties. Our framework underscores the significance of in-hand acoustic vibration sensing in advancing robot tactile perception.

The learning rate warmup heuristic achieves remarkable success in stabilizing training, accelerating convergence and improving generalization for adaptive stochastic optimization algorithms like RMSprop and Adam. Here, we study its mechanism in details. Pursuing the theory behind warmup, we identify a problem of the adaptive learning rate (i.e., it has problematically large variance in the early stage), suggest warmup works as a variance reduction technique, and provide both empirical and theoretical evidence to verify our hypothesis. We further propose RAdam, a new variant of Adam, by introducing a term to rectify the variance of the adaptive learning rate. Extensive experimental results on image classification, language modeling, and neural machine translation verify our intuition and demonstrate the effectiveness and robustness of our proposed method. All implementations are available at: https://github.com/LiyuanLucasLiu/RAdam.

Heuristics are widely used for dealing with complex search and optimization problems. However, manual design of heuristics can be often very labour extensive and requires rich working experience and knowledge. This paper proposes Evolution of Heuristic (EoH), a novel evolutionary paradigm that leverages both Large Language Models (LLMs) and Evolutionary Computation (EC) methods for Automatic Heuristic Design (AHD). EoH represents the ideas of heuristics in natural language, termed thoughts. They are then translated into executable codes by LLMs. The evolution of both thoughts and codes in an evolutionary search framework makes it very effective and efficient for generating high-performance heuristics. Experiments on three widely studied combinatorial optimization benchmark problems demonstrate that EoH outperforms commonly used handcrafted heuristics and other recent AHD methods including FunSearch. Particularly, the heuristic produced by EoH with a low computational budget (in terms of the number of queries to LLMs) significantly outperforms widely-used human hand-crafted baseline algorithms for the online bin packing problem.

Building home assistant robots has long been a pursuit for vision and robotics researchers. To achieve this task, a simulated environment with physically realistic simulation, sufficient articulated objects, and transferability to the real robot is indispensable. Existing environments achieve these requirements for robotics simulation with different levels of simplification and focus. We take one step further in constructing an environment that supports household tasks for training robot learning algorithm. Our work, SAPIEN, is a realistic and physics-rich simulated environment that hosts a large-scale set for articulated objects. Our SAPIEN enables various robotic vision and interaction tasks that require detailed part-level understanding.We evaluate state-of-the-art vision algorithms for part detection and motion attribute recognition as well as demonstrate robotic interaction tasks using heuristic approaches and reinforcement learning algorithms. We hope that our SAPIEN can open a lot of research directions yet to be explored, including learning cognition through interaction, part motion discovery, and construction of robotics-ready simulated game environment.

In multi-task learning (MTL), gradient balancing has recently attracted more research interest than loss balancing since it often leads to better performance. However, loss balancing is much more efficient than gradient balancing, and thus it is still worth further exploration in MTL. Note that prior studies typically ignore that there exist varying improvable gaps across multiple tasks, where the improvable gap per task is defined as the distance between the current training progress and desired final training progress. Therefore, after loss balancing, the performance imbalance still arises in many cases. In this paper, following the loss balancing framework, we propose two novel improvable gap balancing (IGB) algorithms for MTL: one takes a simple heuristic, and the other (for the first time) deploys deep reinforcement learning for MTL. Particularly, instead of directly balancing the losses in MTL, both algorithms choose to dynamically assign task weights for improvable gap balancing. Moreover, we combine IGB and gradient balancing to show the complementarity between the two types of algorithms. Extensive experiments on two benchmark datasets demonstrate that our IGB algorithms lead to the best results in MTL via loss balancing and achieve further improvements when combined with gradient balancing. Code is available at https://github.com/YanqiDai/IGB4MTL.

There is a strong link between the general concept of intelligence and the ability to collect and use information. The theory of Bayes-adaptive exploration offers an attractive optimality framework for training machines to perform complex information gathering tasks. However, the computational complexity of the resulting optimal control problem has limited the diffusion of the theory to mainstream deep AI research. In this paper we exploit the inherent mathematical structure of Bayes-adaptive problems in order to dramatically simplify the problem by making the reward structure denser while simultaneously decoupling the learning of exploitation and exploration policies. The key to this simplification comes from the novel concept of cross-value (i.e. the value of being in an environment while acting optimally according to another), which we use to quantify the value of currently available information. This results in a new denser reward structure that "cashes in" all future rewards that can be predicted from the current information state. In a set of experiments we show that the approach makes it possible to learn challenging information gathering tasks without the use of shaping and heuristic bonuses in situations where the standard RL algorithms fail.

We tackle real-world problems with complex structures beyond the pixel-based game or simulator. We formulate it as a few-shot reinforcement learning problem where a task is characterized by a subtask graph that defines a set of subtasks and their dependencies that are unknown to the agent. Different from the previous meta-rl methods trying to directly infer the unstructured task embedding, our multi-task subtask graph inferencer (MTSGI) first infers the common high-level task structure in terms of the subtask graph from the training tasks, and use it as a prior to improve the task inference in testing. Our experiment results on 2D grid-world and complex web navigation domains show that the proposed method can learn and leverage the common underlying structure of the tasks for faster adaptation to the unseen tasks than various existing algorithms such as meta reinforcement learning, hierarchical reinforcement learning, and other heuristic agents.

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

Business Document Information Extraction (BDIE) is the problem of transforming a blob of unstructured information (raw text, scanned documents, etc.) into a structured format that downstream systems can parse and use. It has two main tasks: Key-Information Extraction (KIE) and Line Items Recognition (LIR). In this paper, we argue that BDIE is best modeled as a Tool Use problem, where the tools are these downstream systems. We then present Retrieval Augmented Structured Generation (RASG), a novel general framework for BDIE that achieves state of the art (SOTA) results on both KIE and LIR tasks on BDIE benchmarks. The contributions of this paper are threefold: (1) We show, with ablation benchmarks, that Large Language Models (LLMs) with RASG are already competitive with or surpasses current SOTA Large Multimodal Models (LMMs) without RASG on BDIE benchmarks. (2) We propose a new metric class for Line Items Recognition, General Line Items Recognition Metric (GLIRM), that is more aligned with practical BDIE use cases compared to existing metrics, such as ANLS*, DocILE, and GriTS. (3) We provide a heuristic algorithm for backcalculating bounding boxes of predicted line items and tables without the need for vision encoders. Finally, we claim that, while LMMs might sometimes offer marginal performance benefits, LLMs + RASG is oftentimes superior given real-world applications and constraints of BDIE.

Human sciences have traditionally relied on human reasoning and intelligence to infer knowledge from a wide range of sources, such as oral and written narrations, reports, and traditions. Here we develop an extension of classical social network analysis approaches to incorporate the concept of meaning in each actor, as a mean to quantify and infer further knowledge from the original source of the network. This extension is based on a new affinity function, the semantic affinity, that establishes fuzzy-like relationships between the different actors in the network, using combinations of affinity functions. We also propose a new heuristic algorithm based on the shortest capacity problem to compute this affinity function. We use these concept of meaning and semantic affinity to analyze and compare the gods and heroes from three different classical mythologies: Greek, Celtic and Nordic. We study the relationships of each individual mythology and those of common structure that is formed when we fuse the three of them. We show a strong connection between the Celtic and Nordic gods and that Greeks put more emphasis on heroic characters rather than deities. Our approach provides a technique to highlight and quantify important relationships in the original domain of the network not deducible from its structural properties.

Software testing is a crucial phase in the software life cycle, helping identify potential risks and reduce maintenance costs. With the advancement of Large Language Models (LLMs), researchers have proposed an increasing number of LLM-based software testing techniques, particularly in the area of test case generation. Despite the growing interest, limited efforts have been made to thoroughly evaluate the actual capabilities of LLMs in this task. In this paper, we introduce TestBench, a benchmark for class-level LLM-based test case generation. We construct a dataset of 108 Java programs from 9 real-world, large-scale projects on GitHub, each representing a different thematic domain. We then design three distinct types of prompts based on context descriptions, including self-contained context, full context, and simple context. Besides, we propose a fine-grained evaluation framework that considers five aspects of test cases: syntactic correctness, compilation correctness, test correctness, code coverage rate, and defect detection rate. Furthermore, we propose a heuristic algorithm to repair erroneous test cases generated by LLMs. We evaluate CodeLlama-13b, GPT-3.5, and GPT-4 on the TestBench, and our experimental results indicate that larger models demonstrate a greater ability to effectively utilize contextual information, thus generating higher-quality test cases. Smaller models may struggle with the noise introduced by the extensive information contained within the full context. However, when using the simplified version, namely the simple context, which is derived from the full context via abstract syntax tree analysis, the performance of these models improves significantly. Our analysis highlights the current progress and pinpoints future directions to further enhance the effectiveness of models by handling contextual information for test case generation.

Decoding for many NLP tasks requires an effective heuristic algorithm for approximating exact search since the problem of searching the full output space is often intractable, or impractical in many settings. The default algorithm for this job is beam search -- a pruned version of breadth-first search. Quite surprisingly, beam search often returns better results than exact inference due to beneficial search bias for NLP tasks. In this work, we show that the standard implementation of beam search can be made up to 10x faster in practice. Our method assumes that the scoring function is monotonic in the sequence length, which allows us to safely prune hypotheses that cannot be in the final set of hypotheses early on. We devise effective monotonic approximations to popular nonmonontic scoring functions, including length normalization and mutual information decoding. Lastly, we propose a memory-reduced variant of Best-First Beam Search, which has a similar beneficial search bias in terms of downstream performance, but runs in a fraction of the time.

Trajectory data, which tracks movements through geographic locations, is crucial for improving real-world applications. However, collecting such sensitive data raises considerable privacy concerns. Local differential privacy (LDP) offers a solution by allowing individuals to locally perturb their trajectory data before sharing it. Despite its privacy benefits, LDP protocols are vulnerable to data poisoning attacks, where attackers inject fake data to manipulate aggregated results. In this work, we make the first attempt to analyze vulnerabilities in several representative LDP trajectory protocols. We propose TraP, a heuristic algorithm for data Poisoning attacks using a prefix-suffix method to optimize fake Trajectory selection, significantly reducing computational complexity. Our experimental results demonstrate that our attack can substantially increase target pattern occurrences in the perturbed trajectory dataset with few fake users. This study underscores the urgent need for robust defenses and better protocol designs to safeguard LDP trajectory data against malicious manipulation.

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.

Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100\% accuracy with only a few calls to the LLM. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large language models (LLMs) have shown promise in accelerating the discovery of algorithms across various domains, particularly in mathematics and optimization. However, existing approaches treat the LLM as a static generator, missing the opportunity to update the model with the signal obtained from evolutionary exploration. In this work, we propose to augment LLM-based evolutionary search by continuously refining the search operator - the LLM - through reinforcement learning (RL) fine-tuning. Our method leverages evolutionary search as an exploration strategy to discover improved algorithms, while RL optimizes the LLM policy based on these discoveries. Our experiments on three combinatorial optimization tasks - bin packing, traveling salesman, and the flatpack problem - show that combining RL and evolutionary search improves discovery efficiency of improved algorithms, showcasing the potential of RL-enhanced evolutionary strategies to assist computer scientists and mathematicians for more efficient algorithm design.

We consider enhancing large language models (LLMs) for complex planning tasks. While existing methods allow LLMs to explore intermediate steps to make plans, they either depend on unreliable self-verification or external verifiers to evaluate these steps, which demand significant data and computations. Here, we propose automated heuristics discovery (AutoHD), a novel approach that enables LLMs to explicitly generate heuristic functions to guide inference-time search, allowing accurate evaluation of intermediate states. These heuristic functions are further refined through a heuristic evolution process, improving their robustness and effectiveness. Our proposed method requires no additional model training or fine-tuning, and the explicit definition of heuristic functions generated by the LLMs provides interpretability and insights into the reasoning process. Extensive experiments across diverse benchmarks demonstrate significant gains over multiple baselines, including nearly twice the accuracy on some datasets, establishing our approach as a reliable and interpretable solution for complex planning tasks.

In recent years, large language models (LLMs) have shown remarkable capabilities in various artificial intelligence problems. However, they fail to plan reliably, even when prompted with a detailed definition of the planning task. Attempts to improve their planning capabilities, such as chain-of-thought prompting, fine-tuning, and explicit "reasoning" still yield incorrect plans and usually fail to generalize to larger tasks. In this paper, we show how to use LLMs to generate correct plans, even for out-of-distribution tasks of increasing size. For a given planning domain, we ask an LLM to generate several domain-dependent heuristic functions in the form of Python code, evaluate them on a set of training tasks within a greedy best-first search, and choose the strongest one. The resulting LLM-generated heuristics solve many more unseen test tasks than state-of-the-art domain-independent heuristics for classical planning. They are even competitive with the strongest learning algorithm for domain-dependent planning. These findings are especially remarkable given that our proof-of-concept implementation is based on an unoptimized Python planner and the baselines all build upon highly optimized C++ code. In some domains, the LLM-generated heuristics expand fewer states than the baselines, revealing that they are not only efficiently computable, but sometimes even more informative than the state-of-the-art heuristics. Overall, our results show that sampling a set of planning heuristic function programs can significantly improve the planning capabilities of LLMs.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

Since the emergence of large language models, prompt learning has become a popular method for optimizing and customizing these models. Special prompts, such as Chain-of-Thought, have even revealed previously unknown reasoning capabilities within these models. However, the progress of discovering effective prompts has been slow, driving a desire for general prompt optimization methods. Unfortunately, few existing prompt learning methods satisfy the criteria of being truly "general", i.e., automatic, discrete, black-box, gradient-free, and interpretable all at once. In this paper, we introduce metaheuristics, a branch of discrete non-convex optimization methods with over 100 options, as a promising approach to prompt learning. Within our paradigm, we test six typical methods: hill climbing, simulated annealing, genetic algorithms with/without crossover, tabu search, and harmony search, demonstrating their effectiveness in black-box prompt learning and Chain-of-Thought prompt tuning. Furthermore, we show that these methods can be used to discover more human-understandable prompts that were previously unknown, opening the door to a cornucopia of possibilities in prompt optimization. We release all the codes in https://github.com/research4pan/Plum.

Learning heuristics for vehicle routing problems (VRPs) has gained much attention due to the less reliance on hand-crafted rules. However, existing methods are typically trained and tested on the same task with a fixed size and distribution (of nodes), and hence suffer from limited generalization performance. This paper studies a challenging yet realistic setting, which considers generalization across both size and distribution in VRPs. We propose a generic meta-learning framework, which enables effective training of an initialized model with the capability of fast adaptation to new tasks during inference. We further develop a simple yet efficient approximation method to reduce the training overhead. Extensive experiments on both synthetic and benchmark instances of the traveling salesman problem (TSP) and capacitated vehicle routing problem (CVRP) demonstrate the effectiveness of our method. The code is available at: https://github.com/RoyalSkye/Omni-VRP.

Go-Explore is a powerful family of algorithms designed to solve hard-exploration problems, built on the principle of archiving discovered states, and iteratively returning to and exploring from the most promising states. This approach has led to superhuman performance across a wide variety of challenging problems including Atari games and robotic control, but requires manually designing heuristics to guide exploration, which is time-consuming and infeasible in general. To resolve this, we propose Intelligent Go-Explore (IGE) which greatly extends the scope of the original Go-Explore by replacing these heuristics with the intelligence and internalized human notions of interestingness captured by giant foundation models (FMs). This provides IGE with a human-like ability to instinctively identify how interesting or promising any new state is (e.g. discovering new objects, locations, or behaviors), even in complex environments where heuristics are hard to define. Moreover, IGE offers the exciting and previously impossible opportunity to recognize and capitalize on serendipitous discoveries that cannot be predicted ahead of time. We evaluate IGE on a range of language-based tasks that require search and exploration. In Game of 24, a multistep mathematical reasoning problem, IGE reaches 100% success rate 70.8% faster than the best classic graph search baseline. Next, in BabyAI-Text, a challenging partially observable gridworld, IGE exceeds the previous SOTA with orders of magnitude fewer online samples. Finally, in TextWorld, we show the unique ability of IGE to succeed in settings requiring long-horizon exploration where prior SOTA FM agents like Reflexion completely fail. Overall, IGE combines the tremendous strengths of FMs and the powerful Go-Explore algorithm, opening up a new frontier of research into creating more generally capable agents with impressive exploration capabilities.

Handcrafting heuristics for solving complex planning tasks (e.g., NP-hard combinatorial optimization (CO) problems) is a common practice but requires extensive domain knowledge. Recently, Large Language Model (LLM)-based automatic heuristics design (AHD) methods have shown promise in generating high-quality heuristics without manual intervention. Existing LLM-based AHD methods employ a population to maintain a fixed number of top-performing LLM-generated heuristics and introduce evolutionary computation (EC) to enhance the population iteratively. However, the population-based procedure brings greedy properties, often resulting in convergence to local optima. Instead, to more comprehensively explore the space of heuristics, we propose using Monte Carlo Tree Search (MCTS) for LLM-based heuristic evolution while preserving all LLM-generated heuristics in a tree structure. With a novel thought-alignment process and an exploration-decay technique, the proposed MCTS-AHD method delivers significantly higher-quality heuristics on various complex tasks. Our code is available at https://github.com/zz1358m/MCTS-AHD-master.

Active learning (AL) algorithms may achieve better performance with fewer data because the model guides the data selection process. While many algorithms have been proposed, there is little study on what the optimal AL algorithm looks like, which would help researchers understand where their models fall short and iterate on the design. In this paper, we present a simulated annealing algorithm to search for this optimal oracle and analyze it for several tasks. We present qualitative and quantitative insights into the behaviors of this oracle, comparing and contrasting them with those of various heuristics. Moreover, we are able to consistently improve the heuristics using one particular insight. We hope that our findings can better inform future active learning research. The code is available at https://github.com/YilunZhou/optimal-active-learning.

Intrigued by the claims of emergent reasoning capabilities in LLMs trained on general web corpora, in this paper, we set out to investigate their planning capabilities. We aim to evaluate (1) the effectiveness of LLMs in generating plans autonomously in commonsense planning tasks and (2) the potential of LLMs as a source of heuristic guidance for other agents (AI planners) in their planning tasks. We conduct a systematic study by generating a suite of instances on domains similar to the ones employed in the International Planning Competition and evaluate LLMs in two distinct modes: autonomous and heuristic. Our findings reveal that LLMs' ability to generate executable plans autonomously is rather limited, with the best model (GPT-4) having an average success rate of ~12% across the domains. However, the results in the heuristic mode show more promise. In the heuristic mode, we demonstrate that LLM-generated plans can improve the search process for underlying sound planners and additionally show that external verifiers can help provide feedback on the generated plans and back-prompt the LLM for better plan generation.

Efficiently solving problems with large action spaces using A* search has been of importance to the artificial intelligence community for decades. This is because the computation and memory requirements of A* search grow linearly with the size of the action space. This burden becomes even more apparent when A* search uses a heuristic function learned by computationally expensive function approximators, such as deep neural networks. To address this problem, we introduce Q* search, a search algorithm that uses deep Q-networks to guide search in order to take advantage of the fact that the sum of the transition costs and heuristic values of the children of a node can be computed with a single forward pass through a deep Q-network without explicitly generating those children. This significantly reduces computation time and requires only one node to be generated per iteration. We use Q* search to solve the Rubik's cube when formulated with a large action space that includes 1872 meta-actions and find that this 157-fold increase in the size of the action space incurs less than a 4-fold increase in computation time and less than a 3-fold increase in number of nodes generated when performing Q* search. Furthermore, Q* search is up to 129 times faster and generates up to 1288 times fewer nodes than A* search. Finally, although obtaining admissible heuristic functions from deep neural networks is an ongoing area of research, we prove that Q* search is guaranteed to find a shortest path given a heuristic function that neither overestimates the cost of a shortest path nor underestimates the transition cost.

Cognitive psychologists have documented that humans use cognitive heuristics, or mental shortcuts, to make quick decisions while expending less effort. While performing annotation work on crowdsourcing platforms, we hypothesize that such heuristic use among annotators cascades on to data quality and model robustness. In this work, we study cognitive heuristic use in the context of annotating multiple-choice reading comprehension datasets. We propose tracking annotator heuristic traces, where we tangibly measure low-effort annotation strategies that could indicate usage of various cognitive heuristics. We find evidence that annotators might be using multiple such heuristics, based on correlations with a battery of psychological tests. Importantly, heuristic use among annotators determines data quality along several dimensions: (1) known biased models, such as partial input models, more easily solve examples authored by annotators that rate highly on heuristic use, (2) models trained on annotators scoring highly on heuristic use don't generalize as well, and (3) heuristic-seeking annotators tend to create qualitatively less challenging examples. Our findings suggest that tracking heuristic usage among annotators can potentially help with collecting challenging datasets and diagnosing model biases.

We study the algorithm configuration (AC) problem, in which one seeks to find an optimal parameter configuration of a given target algorithm in an automated way. Recently, there has been significant progress in designing AC approaches that satisfy strong theoretical guarantees. However, a significant gap still remains between the practical performance of these approaches and state-of-the-art heuristic methods. To this end, we introduce AC-Band, a general approach for the AC problem based on multi-armed bandits that provides theoretical guarantees while exhibiting strong practical performance. We show that AC-Band requires significantly less computation time than other AC approaches providing theoretical guarantees while still yielding high-quality configurations.

The problem of designing NLP solvers for math word problems (MWP) has seen sustained research activity and steady gains in the test accuracy. Since existing solvers achieve high performance on the benchmark datasets for elementary level MWPs containing one-unknown arithmetic word problems, such problems are often considered "solved" with the bulk of research attention moving to more complex MWPs. In this paper, we restrict our attention to English MWPs taught in grades four and lower. We provide strong evidence that the existing MWP solvers rely on shallow heuristics to achieve high performance on the benchmark datasets. To this end, we show that MWP solvers that do not have access to the question asked in the MWP can still solve a large fraction of MWPs. Similarly, models that treat MWPs as bag-of-words can also achieve surprisingly high accuracy. Further, we introduce a challenge dataset, SVAMP, created by applying carefully chosen variations over examples sampled from existing datasets. The best accuracy achieved by state-of-the-art models is substantially lower on SVAMP, thus showing that much remains to be done even for the simplest of the MWPs.

Weight sharing promises to make neural architecture search (NAS) tractable even on commodity hardware. Existing methods in this space rely on a diverse set of heuristics to design and train the shared-weight backbone network, a.k.a. the super-net. Since heuristics and hyperparameters substantially vary across different methods, a fair comparison between them can only be achieved by systematically analyzing the influence of these factors. In this paper, we therefore provide a systematic evaluation of the heuristics and hyperparameters that are frequently employed by weight-sharing NAS algorithms. Our analysis uncovers that some commonly-used heuristics for super-net training negatively impact the correlation between super-net and stand-alone performance, and evidences the strong influence of certain hyperparameters and architectural choices. Our code and experiments set a strong and reproducible baseline that future works can build on.

This paper develops a new mathematical-statistical approach to analyze a class of Flajolet-Martin algorithms (FMa), and provides analytical confidence intervals for the number F0 of distinct elements in a stream, based on Chernoff bounds. The class of FMa has reached a significant popularity in bigdata stream learning, and the attention of the literature has mainly been based on algorithmic aspects, basically complexity optimality, while the statistical analysis of these class of algorithms has been often faced heuristically. The analysis provided here shows deep connections with mathematical special functions and with extreme value theory. The latter connection may help in explaining heuristic considerations, while the first opens many numerical issues, faced at the end of the present paper. Finally, the algorithms are tested on an anonymized real data stream and MonteCarlo simulations are provided to support our analytical choice in this context.

A major technique in learning-augmented online algorithms is combining multiple algorithms or predictors. Since the performance of each predictor may vary over time, it is desirable to use not the single best predictor as a benchmark, but rather a dynamic combination which follows different predictors at different times. We design algorithms that combine predictions and are competitive against such dynamic combinations for a wide class of online problems, namely, metrical task systems. Against the best (in hindsight) unconstrained combination of ell predictors, we obtain a competitive ratio of O(ell^2), and show that this is best possible. However, for a benchmark with slightly constrained number of switches between different predictors, we can get a (1+epsilon)-competitive algorithm. Moreover, our algorithms can be adapted to access predictors in a bandit-like fashion, querying only one predictor at a time. An unexpected implication of one of our lower bounds is a new structural insight about covering formulations for the k-server problem.

Domain-independent heuristics have long been a cornerstone of AI planning, offering general solutions applicable across a wide range of tasks without requiring domain-specific engineering. However, the advent of large language models (LLMs) presents an opportunity to generate heuristics tailored to specific planning problems, potentially challenging the necessity of domain independence as a strict design principle. In this paper, we explore the use of LLMs to automatically derive planning heuristics from task descriptions represented as successor generators and goal tests written in general purpose programming language. We investigate the trade-offs between domain-specific LLM-generated heuristics and traditional domain-independent methods in terms of computational efficiency and explainability. Our experiments demonstrate that LLMs can create heuristics that achieve state-of-the-art performance on some standard IPC domains, as well as their ability to solve problems that lack an adequate Planning Domain Definition Language ({\sc pddl}) representation. We discuss whether these results signify a paradigm shift and how they can complement existing approaches.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

Large Language Models (LLMs) have demonstrated impressive planning abilities due to their vast "world knowledge". Yet, obtaining plans that are both feasible (grounded in affordances) and cost-effective (in plan length), remains a challenge, despite recent progress. This contrasts with heuristic planning methods that employ domain knowledge (formalized in action models such as PDDL) and heuristic search to generate feasible, optimal plans. Inspired by this, we propose to combine the power of LLMs and heuristic planning by leveraging the world knowledge of LLMs and the principles of heuristic search. Our approach, SayCanPay, employs LLMs to generate actions (Say) guided by learnable domain knowledge, that evaluates actions' feasibility (Can) and long-term reward/payoff (Pay), and heuristic search to select the best sequence of actions. Our contributions are (1) a novel framing of the LLM planning problem in the context of heuristic planning, (2) integrating grounding and cost-effective elements into the generated plans, and (3) using heuristic search over actions. Our extensive evaluations show that our model surpasses other LLM planning approaches.

This work studies a central extremal graph theory problem inspired by a 1975 conjecture of Erdos, which aims to find graphs with a given size (number of nodes) that maximize the number of edges without having 3- or 4-cycles. We formulate this problem as a sequential decision-making problem and compare AlphaZero, a neural network-guided tree search, with tabu search, a heuristic local search method. Using either method, by introducing a curriculum -- jump-starting the search for larger graphs using good graphs found at smaller sizes -- we improve the state-of-the-art lower bounds for several sizes. We also propose a flexible graph-generation environment and a permutation-invariant network architecture for learning to search in the space of graphs.

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

A popular approach for sequential decision-making is to perform simulator-based search guided with Machine Learning (ML) methods like policy learning. On the other hand, model-relaxation heuristics can guide the search effectively if a full declarative model is available. In this work, we consider how a practitioner can improve ML-based black-box planning on settings where a complete symbolic model is not available. We show that specifying an incomplete STRIPS model that describes only part of the problem enables the use of relaxation heuristics. Our findings on several planning domains suggest that this is an effective way to improve ML-based black-box planning beyond collecting more data or tuning ML architectures.

Recent years have seen considerable advancements in multi-step reasoning with Large Language Models (LLMs). The previous studies have elucidated the merits of integrating feedback or search mechanisms during model inference to improve the reasoning accuracy. The Process-Supervised Reward Model (PRM), typically furnishes LLMs with step-by-step feedback during the training phase, akin to Proximal Policy Optimization (PPO) or reject sampling. Our objective is to examine the efficacy of PRM in the inference phase to help discern the optimal solution paths for multi-step tasks such as mathematical reasoning and code generation. To this end, we propose a heuristic greedy search algorithm that employs the step-level feedback from PRM to optimize the reasoning pathways explored by LLMs. This tailored PRM demonstrated enhanced results compared to the Chain of Thought (CoT) on mathematical benchmarks like GSM8K and MATH. Additionally, to explore the versatility of our approach, we develop a novel method to automatically generate step-level reward dataset for coding tasks and observed similar improved performance in the code generation tasks. Thus highlighting the robust nature of our reward-model-based approach to inference for reasoning tasks.

Optimization problems are pervasive across various sectors, from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers, as the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. We introduce OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve MILP problems from their natural language descriptions. OptiMUS is capable of developing mathematical models, writing and debugging solver code, developing tests, and checking the validity of generated solutions. To benchmark our agent, we present NLP4LP, a novel dataset of linear programming (LP) and mixed integer linear programming (MILP) problems. Our experiments demonstrate that OptiMUS solves nearly twice as many problems as a basic LLM prompting strategy. OptiMUS code and NLP4LP dataset are available at https://github.com/teshnizi/OptiMUS{https://github.com/teshnizi/OptiMUS}

Recent research suggests that tree search algorithms (e.g. Monte Carlo Tree Search) can dramatically boost LLM performance on complex mathematical reasoning tasks. However, they often require more than 10 times the computational resources of greedy decoding due to wasteful search strategies, making them difficult to be deployed in practical applications. This study introduces a novel guided tree search algorithm with dynamic node selection and node-level exploration budget (maximum number of children) calculation to tackle this issue. By considering the search progress towards the final answer (history) and the guidance from a value network (future) trained without any step-wise annotations, our algorithm iteratively selects the most promising tree node before expanding it within the boundaries of the allocated computational budget. Experiments conducted on the GSM8K and TabMWP datasets demonstrate that our approach not only offers competitive performance but also enjoys significantly lower computational costs compared to baseline methods.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

In this paper, we present specially designed automatic speech recognition (ASR) systems for the highly agglutinative and inflective languages of Tamil and Kannada that can recognize unlimited vocabulary of words. We use subwords as the basic lexical units for recognition and construct subword grammar weighted finite state transducer (SG-WFST) graphs for word segmentation that captures most of the complex word formation rules of the languages. We have identified the following category of words (i) verbs, (ii) nouns, (ii) pronouns, and (iv) numbers. The prefix, infix and suffix lists of subwords are created for each of these categories and are used to design the SG-WFST graphs. We also present a heuristic segmentation algorithm that can even segment exceptional words that do not follow the rules encapsulated in the SG-WFST graph. Most of the data-driven subword dictionary creation algorithms are computation driven, and hence do not guarantee morpheme-like units and so we have used the linguistic knowledge of the languages and manually created the subword dictionaries and the graphs. Finally, we train a deep neural network acoustic model and combine it with the pronunciation lexicon of the subword dictionary and the SG-WFST graph to build the subword-ASR systems. Since the subword-ASR produces subword sequences as output for a given test speech, we post-process its output to get the final word sequence, so that the actual number of words that can be recognized is much higher. Upon experimenting the subword-ASR system with the IISc-MILE Tamil and Kannada ASR corpora, we observe an absolute word error rate reduction of 12.39% and 13.56% over the baseline word-based ASR systems for Tamil and Kannada, respectively.

The dominant paradigm for neural text generation is left-to-right decoding from autoregressive language models. Constrained or controllable generation under complex lexical constraints, however, requires foresight to plan ahead feasible future paths. Drawing inspiration from the A* search algorithm, we propose NeuroLogic A*esque, a decoding algorithm that incorporates heuristic estimates of future cost. We develop efficient lookahead heuristics that are efficient for large-scale language models, making our method a drop-in replacement for common techniques such as beam search and top-k sampling. To enable constrained generation, we build on NeuroLogic decoding (Lu et al., 2021), combining its flexibility in incorporating logical constraints with A*esque estimates of future constraint satisfaction. Our approach outperforms competitive baselines on five generation tasks, and achieves new state-of-the-art performance on table-to-text generation, constrained machine translation, and keyword-constrained generation. The improvements are particularly notable on tasks that require complex constraint satisfaction or in few-shot or zero-shot settings. NeuroLogic A*esque illustrates the power of decoding for improving and enabling new capabilities of large-scale language models.

The Airbnb search system grapples with many unique challenges as it continues to evolve. We oversee a marketplace that is nuanced by geography, diversity of homes, and guests with a variety of preferences. Crafting an efficient search system that can accommodate diverse guest needs, while showcasing relevant homes lies at the heart of Airbnb's success. Airbnb search has many challenges that parallel other recommendation and search systems but it has a unique information retrieval problem, upstream of ranking, called location retrieval. It requires defining a topological map area that is relevant to the searched query for homes listing retrieval. The purpose of this paper is to demonstrate the methodology, challenges, and impact of building a machine learning based location retrieval product from the ground up. Despite the lack of suitable, prevalent machine learning based approaches, we tackle cold start, generalization, differentiation and algorithmic bias. We detail the efficacy of heuristics, statistics, machine learning, and reinforcement learning approaches to solve these challenges, particularly for systems that are often unexplored by current literature.

Compared to traditional Vision Transformers (ViT), Mixture-of-Experts Vision Transformers (MoE-ViT) are introduced to scale model size without a proportional increase in computational complexity, making them a new research focus. Given the high performance and reconfigurability, FPGA-based accelerators for MoE-ViT emerge, delivering substantial gains over general-purpose processors. However, existing accelerators often fall short of fully exploring the design space, leading to suboptimal trade-offs between resource utilization and performance. To overcome this problem, we introduce UbiMoE, a novel end-to-end FPGA accelerator tailored for MoE-ViT. Leveraging the unique computational and memory access patterns of MoE-ViTs, we develop a latency-optimized streaming attention kernel and a resource-efficient reusable linear kernel, effectively balancing performance and resource consumption. To further enhance design efficiency, we propose a two-stage heuristic search algorithm that optimally tunes hardware parameters for various FPGA resource constraints. Compared to state-of-the-art (SOTA) FPGA designs, UbiMoE achieves 1.34x and 3.35x throughput improvements for MoE-ViT on Xilinx ZCU102 and Alveo U280 platforms, respectively, while enhancing energy efficiency by 1.75x and 1.54x. Our implementation is available at https://github.com/DJ000011/UbiMoE.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Choosing automatically the right algorithm using problem descriptors is a classical component of combinatorial optimization. It is also a good tool for making evolutionary algorithms fast, robust and versatile. We present Shiwa, an algorithm good at both discrete and continuous, noisy and noise-free, sequential and parallel, black-box optimization. Our algorithm is experimentally compared to competitors on YABBOB, a BBOB comparable testbed, and on some variants of it, and then validated on several real world testbeds.

Efficiently tackling combinatorial reasoning problems, particularly the notorious NP-hard tasks, remains a significant challenge for AI research. Recent efforts have sought to enhance planning by incorporating hierarchical high-level search strategies, known as subgoal methods. While promising, their performance against traditional low-level planners is inconsistent, raising questions about their application contexts. In this study, we conduct an in-depth exploration of subgoal-planning methods for combinatorial reasoning. We identify the attributes pivotal for leveraging the advantages of high-level search: hard-to-learn value functions, complex action spaces, presence of dead ends in the environment, or using data collected from diverse experts. We propose a consistent evaluation methodology to achieve meaningful comparisons between methods and reevaluate the state-of-the-art algorithms.

We study the ranking of individuals, teams, or objects, based on pairwise comparisons between them, using the Bradley-Terry model. Estimates of rankings within this model are commonly made using a simple iterative algorithm first introduced by Zermelo almost a century ago. Here we describe an alternative and similarly simple iteration that provably returns identical results but does so much faster -- over a hundred times faster in some cases. We demonstrate this algorithm with applications to a range of example data sets and derive a number of results regarding its convergence.

This paper presents a detailed analysis of the scalability and parallelization of local search algorithms for the Satisfiability problem. We propose a framework to estimate the parallel performance of a given algorithm by analyzing the runtime behavior of its sequential version. Indeed, by approximating the runtime distribution of the sequential process with statistical methods, the runtime behavior of the parallel process can be predicted by a model based on order statistics. We apply this approach to study the parallel performance of two SAT local search solvers, namely Sparrow and CCASAT, and compare the predicted performances to the results of an actual experimentation on parallel hardware up to 384 cores. We show that the model is accurate and predicts performance close to the empirical data. Moreover, as we study different types of instances (random and crafted), we observe that the local search solvers exhibit different behaviors and that their runtime distributions can be approximated by two types of distributions: exponential (shifted and non-shifted) and lognormal.

Language models are rarely shown fruitful mistakes while training. They then struggle to look beyond the next token, suffering from a snowballing of errors and struggling to predict the consequence of their actions several steps ahead. In this paper, we show how language models can be taught to search by representing the process of search in language, as a flattened string -- a stream of search (SoS). We propose a unified language for search that captures an array of different symbolic search strategies. We demonstrate our approach using the simple yet difficult game of Countdown, where the goal is to combine input numbers with arithmetic operations to reach a target number. We pretrain a transformer-based language model from scratch on a dataset of streams of search generated by heuristic solvers. We find that SoS pretraining increases search accuracy by 25% over models trained to predict only the optimal search trajectory. We further finetune this model with two policy improvement methods: Advantage-Induced Policy Alignment (APA) and Self-Taught Reasoner (STaR). The finetuned SoS models solve 36% of previously unsolved problems, including problems that cannot be solved by any of the heuristic solvers. Our results indicate that language models can learn to solve problems via search, self-improve to flexibly use different search strategies, and potentially discover new ones.

In precision-oriented tasks like answer ranking, it is more important to rank many relevant answers highly than to retrieve all relevant answers. It follows that a good ranking strategy would be to learn how to identify the easiest correct answers first (i.e., assign a high ranking score to answers that have characteristics that usually indicate relevance, and a low ranking score to those with characteristics that do not), before incorporating more complex logic to handle difficult cases (e.g., semantic matching or reasoning). In this work, we apply this idea to the training of neural answer rankers using curriculum learning. We propose several heuristics to estimate the difficulty of a given training sample. We show that the proposed heuristics can be used to build a training curriculum that down-weights difficult samples early in the training process. As the training process progresses, our approach gradually shifts to weighting all samples equally, regardless of difficulty. We present a comprehensive evaluation of our proposed idea on three answer ranking datasets. Results show that our approach leads to superior performance of two leading neural ranking architectures, namely BERT and ConvKNRM, using both pointwise and pairwise losses. When applied to a BERT-based ranker, our method yields up to a 4% improvement in MRR and a 9% improvement in P@1 (compared to the model trained without a curriculum). This results in models that can achieve comparable performance to more expensive state-of-the-art techniques.

ML-augmented algorithms utilize predictions to achieve performance beyond their worst-case bounds. Producing these predictions might be a costly operation -- this motivated Im et al. '22 to introduce the study of algorithms which use predictions parsimoniously. We design parsimonious algorithms for caching and MTS with action predictions, proposed by Antoniadis et al. '20, focusing on the parameters of consistency (performance with perfect predictions) and smoothness (dependence of their performance on the prediction error). Our algorithm for caching is 1-consistent, robust, and its smoothness deteriorates with the decreasing number of available predictions. We propose an algorithm for general MTS whose consistency and smoothness both scale linearly with the decreasing number of predictions. Without the restriction on the number of available predictions, both algorithms match the earlier guarantees achieved by Antoniadis et al. '20.

In online algorithm selection (OAS), instances of an algorithmic problem class are presented to an agent one after another, and the agent has to quickly select a presumably best algorithm from a fixed set of candidate algorithms. For decision problems such as satisfiability (SAT), quality typically refers to the algorithm's runtime. As the latter is known to exhibit a heavy-tail distribution, an algorithm is normally stopped when exceeding a predefined upper time limit. As a consequence, machine learning methods used to optimize an algorithm selection strategy in a data-driven manner need to deal with right-censored samples, a problem that has received little attention in the literature so far. In this work, we revisit multi-armed bandit algorithms for OAS and discuss their capability of dealing with the problem. Moreover, we adapt them towards runtime-oriented losses, allowing for partially censored data while keeping a space- and time-complexity independent of the time horizon. In an extensive experimental evaluation on an adapted version of the ASlib benchmark, we demonstrate that theoretically well-founded methods based on Thompson sampling perform specifically strong and improve in comparison to existing methods.

We consider non-clairvoyant scheduling with online precedence constraints, where an algorithm is oblivious to any job dependencies and learns about a job only if all of its predecessors have been completed. Given strong impossibility results in classical competitive analysis, we investigate the problem in a learning-augmented setting, where an algorithm has access to predictions without any quality guarantee. We discuss different prediction models: novel problem-specific models as well as general ones, which have been proposed in previous works. We present lower bounds and algorithmic upper bounds for different precedence topologies, and thereby give a structured overview on which and how additional (possibly erroneous) information helps for designing better algorithms. Along the way, we also improve bounds on traditional competitive ratios for existing algorithms.

Algorithm configuration (AC) is concerned with the automated search of the most suitable parameter configuration of a parametrized algorithm. There is currently a wide variety of AC problem variants and methods proposed in the literature. Existing reviews do not take into account all derivatives of the AC problem, nor do they offer a complete classification scheme. To this end, we introduce taxonomies to describe the AC problem and features of configuration methods, respectively. We review existing AC literature within the lens of our taxonomies, outline relevant design choices of configuration approaches, contrast methods and problem variants against each other, and describe the state of AC in industry. Finally, our review provides researchers and practitioners with a look at future research directions in the field of AC.

A modified LAB algorithm is introduced in this paper. It builds upon the original LAB algorithm (Reddy et al. 2023), which is a socio-inspired algorithm that models competitive and learning behaviours within a group, establishing hierarchical roles. The proposed algorithm incorporates the roulette wheel approach and a reduction factor introducing inter-group competition and iteratively narrowing down the sample space. The algorithm is validated by solving the benchmark test problems from CEC 2005 and CEC 2017. The solutions are validated using standard statistical tests such as two-sided and pairwise signed rank Wilcoxon test and Friedman rank test. The algorithm exhibited improved and superior robustness as well as search space exploration capabilities. Furthermore, a Clustering-Based Search Space Reduction (C-SSR) method is proposed, making the algorithm capable to solve constrained problems. The C-SSR method enables the algorithm to identify clusters of feasible regions, satisfying the constraints and contributing to achieve the optimal solution. This method demonstrates its effectiveness as a potential alternative to traditional constraint handling techniques. The results obtained using the Modified LAB algorithm are then compared with those achieved by other recent metaheuristic algorithms.

A commonly used heuristic in RL is experience replay (e.g.~lin1993reinforcement, mnih2015human), in which a learner stores and re-uses past trajectories as if they were sampled online. In this work, we initiate a rigorous study of this heuristic in the setting of tabular Q-learning. We provide a convergence rate guarantee, and discuss how it compares to the convergence of Q-learning depending on important parameters such as the frequency and number of replay iterations. We also provide theoretical evidence showing when we might expect this heuristic to strictly improve performance, by introducing and analyzing a simple class of MDPs. Finally, we provide some experiments to support our theoretical findings.

While language models have demonstrated impressive capabilities across a range of tasks, they still struggle with tasks that require complex planning and reasoning. Recent studies have proposed training language models on search processes rather than optimal solutions, resulting in better generalization performance even though search processes are noisy and even suboptimal. However, these studies overlook the value of optimal solutions, which can serve as step-by-step landmarks to guide more effective search. In this work, we explore how to leverage optimal solutions to enhance the search and planning abilities of language models. To this end, we propose guided stream of search (GSoS), which seamlessly incorporates optimal solutions into the self-generation process in a progressive manner, producing high-quality search trajectories. These trajectories are then distilled into the pre-trained model via supervised fine-tuning. Our approach significantly enhances the search and planning abilities of language models on Countdown, a simple yet challenging mathematical reasoning task. Notably, combining our method with RL fine-tuning yields further improvements, whereas previous supervised fine-tuning methods do not benefit from RL. Furthermore, our approach exhibits greater effectiveness than leveraging optimal solutions in the form of subgoal rewards.

This is the first work to look at the application of large language models (LLMs) for the purpose of model space edits in automated planning tasks. To set the stage for this union, we explore two different flavors of model space problems that have been studied in the AI planning literature and explore the effect of an LLM on those tasks. We empirically demonstrate how the performance of an LLM contrasts with combinatorial search (CS) -- an approach that has been traditionally used to solve model space tasks in planning, both with the LLM in the role of a standalone model space reasoner as well as in the role of a statistical signal in concert with the CS approach as part of a two-stage process. Our experiments show promising results suggesting further forays of LLMs into the exciting world of model space reasoning for planning tasks in the future.

We present a Spades bidding algorithm that is superior to recreational human players and to publicly available bots. Like in Bridge, the game of Spades is composed of two independent phases, bidding and playing. This paper focuses on the bidding algorithm, since this phase holds a precise challenge: based on the input, choose the bid that maximizes the agent's winning probability. Our Bidding-in-Spades (BIS) algorithm heuristically determines the bidding strategy by comparing the expected utility of each possible bid. A major challenge is how to estimate these expected utilities. To this end, we propose a set of domain-specific heuristics, and then correct them via machine learning using data from real-world players. The \BIS algorithm we present can be attached to any playing algorithm. It beats rule-based bidding bots when all use the same playing component. When combined with a rule-based playing algorithm, it is superior to the average recreational human.

We design a suite of minimal algorithmic tasks that are a loose abstraction of open-ended real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended stochastic planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; comparatively, multi-token approaches, namely teacherless training and diffusion models, excel in producing diverse and original output. Secondly, in our tasks, we find that to elicit randomness from the Transformer without hurting coherence, it is better to inject noise right at the input layer (via a method we dub hash-conditioning) rather than defer to temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and softmax-based sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

This presentation focuses on the importance of web crawling and page ranking algorithms in dealing with the massive amount of data present on the World Wide Web. As the web continues to grow exponentially, efficient search and retrieval methods become crucial. Web crawling is a process that converts unstructured data into structured data, enabling effective information retrieval. Additionally, page ranking algorithms play a significant role in assessing the quality and popularity of web pages. The presentation explores the background of these algorithms and evaluates five different crawling algorithms: Shark Search, Priority-Based Queue, Naive Bayes, Breadth-First, and Depth-First. The goal is to identify the most effective algorithm for crawling web pages. By understanding these algorithms, we can enhance our ability to navigate the web and extract valuable information efficiently.

This work delved into the realm of automatic text generation, exploring a variety of techniques ranging from traditional deterministic approaches to more modern stochastic methods. Through analysis of greedy search, beam search, top-k sampling, top-p sampling, contrastive searching, and locally typical searching, this work has provided valuable insights into the strengths, weaknesses, and potential applications of each method. Each text-generating method is evaluated using several standard metrics and a comparative study has been made on the performance of the approaches. Finally, some future directions of research in the field of automatic text generation are also identified.

We study the design of sample-efficient algorithms for reinforcement learning in the presence of rich, high-dimensional observations, formalized via the Block MDP problem. Existing algorithms suffer from either 1) computational intractability, 2) strong statistical assumptions that are not necessarily satisfied in practice, or 3) suboptimal sample complexity. We address these issues by providing the first computationally efficient algorithm that attains rate-optimal sample complexity with respect to the desired accuracy level, with minimal statistical assumptions. Our algorithm, MusIK, combines systematic exploration with representation learning based on multi-step inverse kinematics, a learning objective in which the aim is to predict the learner's own action from the current observation and observations in the (potentially distant) future. MusIK is simple and flexible, and can efficiently take advantage of general-purpose function approximation. Our analysis leverages several new techniques tailored to non-optimistic exploration algorithms, which we anticipate will find broader use.

We propose prioritized unit propagation with periodic resetting, which is a simple but surprisingly effective algorithm for solving random SAT instances that are meant to be hard. In particular, an evaluation on the Random Track of the 2017 and 2018 SAT competitions shows that a basic prototype of this simple idea already ranks at second place in both years. We share this observation in the hope that it helps the SAT community better understand the hardness of random instances used in competitions and inspire other interesting ideas on SAT solving.

This paper introduces the novel task of multimodal puzzle solving, framed within the context of visual question-answering. We present a new dataset, AlgoPuzzleVQA designed to challenge and evaluate the capabilities of multimodal language models in solving algorithmic puzzles that necessitate both visual understanding, language understanding, and complex algorithmic reasoning. We create the puzzles to encompass a diverse array of mathematical and algorithmic topics such as boolean logic, combinatorics, graph theory, optimization, search, etc., aiming to evaluate the gap between visual data interpretation and algorithmic problem-solving skills. The dataset is generated automatically from code authored by humans. All our puzzles have exact solutions that can be found from the algorithm without tedious human calculations. It ensures that our dataset can be scaled up arbitrarily in terms of reasoning complexity and dataset size. Our investigation reveals that large language models (LLMs) such as GPT4V and Gemini exhibit limited performance in puzzle-solving tasks. We find that their performance is near random in a multi-choice question-answering setup for a significant number of puzzles. The findings emphasize the challenges of integrating visual, language, and algorithmic knowledge for solving complex reasoning problems.

Current literature, aiming to surpass the "Chain-of-Thought" approach, often resorts to an external modus operandi involving halting, modifying, and then resuming the generation process to boost Large Language Models' (LLMs) reasoning capacities. This mode escalates the number of query requests, leading to increased costs, memory, and computational overheads. Addressing this, we propose the Algorithm of Thoughts -- a novel strategy that propels LLMs through algorithmic reasoning pathways, pioneering a new mode of in-context learning. By employing algorithmic examples, we exploit the innate recurrence dynamics of LLMs, expanding their idea exploration with merely one or a few queries. Our technique outperforms earlier single-query methods and stands on par with a recent multi-query strategy that employs an extensive tree search algorithm. Intriguingly, our results suggest that instructing an LLM using an algorithm can lead to performance surpassing that of the algorithm itself, hinting at LLM's inherent ability to weave its intuition into optimized searches. We probe into the underpinnings of our method's efficacy and its nuances in application.

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm -- using only the number of iterations as feedback -- can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

LLMs exhibit advanced reasoning capabilities, offering the potential to transform natural language questions into mathematical models. However, existing open-source datasets in operations research domain lack detailed annotations of the modeling process, such as variable definitions, focusing solely on objective values, which hinders reinforcement learning applications. To address this, we release the StructuredOR dataset, annotated with comprehensive labels that capture the complete mathematical modeling process. We further propose BPP-Search, a algorithm that integrates reinforcement learning into a tree-of-thought structure using Beam search, a Process reward model, and a pairwise Preference algorithm. This approach enables efficient exploration of tree structures, avoiding exhaustive search while improving accuracy. Extensive experiments on StructuredOR, NL4OPT, and MAMO-ComplexLP datasets show that BPP-Search significantly outperforms state-of-the-art methods. In tree-based reasoning, BPP-Search excels in accuracy and efficiency, enabling faster retrieval of correct solutions.

We revisit the noisy binary search model of Karp and Kleinberg, in which we have n coins with unknown probabilities p_i that we can flip. The coins are sorted by increasing p_i, and we would like to find where the probability crosses (to within varepsilon) of a target value tau. This generalized the fixed-noise model of Burnashev and Zigangirov , in which p_i = 1{2} pm varepsilon, to a setting where coins near the target may be indistinguishable from it. Karp and Kleinberg showed that Theta(1{varepsilon^2} log n) samples are necessary and sufficient for this task. We produce a practical algorithm by solving two theoretical challenges: high-probability behavior and sharp constants. We give an algorithm that succeeds with probability 1-delta from \[ 1{C_{\tau, \varepsilon}} \cdot \left(\lg n + O(\log^{2/3} n \log^{1/3} 1{\delta} + \log 1{\delta})\right) \] samples, where C_{tau, varepsilon} is the optimal such constant achievable. For delta > n^{-o(1)} this is within 1 + o(1) of optimal, and for delta ll 1 it is the first bound within constant factors of optimal.

We explore the use of expert iteration in the context of language modeling applied to formal mathematics. We show that at same compute budget, expert iteration, by which we mean proof search interleaved with learning, dramatically outperforms proof search only. We also observe that when applied to a collection of formal statements of sufficiently varied difficulty, expert iteration is capable of finding and solving a curriculum of increasingly difficult problems, without the need for associated ground-truth proofs. Finally, by applying this expert iteration to a manually curated set of problem statements, we achieve state-of-the-art on the miniF2F benchmark, automatically solving multiple challenging problems drawn from high school olympiads.

We endow Large Language Models (LLMs) with fine-grained self-evaluation to refine multi-step reasoning inference. We propose an effective prompting approach that integrates self-evaluation guidance through stochastic beam search. Our approach explores the reasoning search space using a well-calibrated automatic criterion. This enables an efficient search to produce higher-quality final predictions. With the self-evaluation guided stochastic beam search, we also balance the quality-diversity trade-off in the generation of reasoning chains. This allows our approach to adapt well with majority voting and surpass the corresponding Codex-backboned baselines by 6.34%, 9.56%, and 5.46% on the GSM8K, AQuA, and StrategyQA benchmarks, respectively, in few-shot accuracy. Analysis of our decompositional reasoning finds it pinpoints logic failures and leads to higher consistency and robustness. Our code is publicly available at https://github.com/YuxiXie/SelfEval-Guided-Decoding.

Stochastic optimization is one of the central problems in Machine Learning and Theoretical Computer Science. In the standard model, the algorithm is given a fixed distribution known in advance. In practice though, one may acquire at a cost extra information to make better decisions. In this paper, we study how to buy information for stochastic optimization and formulate this question as an online learning problem. Assuming the learner has an oracle for the original optimization problem, we design a 2-competitive deterministic algorithm and a e/(e-1)-competitive randomized algorithm for buying information. We show that this ratio is tight as the problem is equivalent to a robust generalization of the ski-rental problem, which we call super-martingale stopping. We also consider an adaptive setting where the learner can choose to buy information after taking some actions for the underlying optimization problem. We focus on the classic optimization problem, Min-Sum Set Cover, where the goal is to quickly find an action that covers a given request drawn from a known distribution. We provide an 8-competitive algorithm running in polynomial time that chooses actions and decides when to buy information about the underlying request.

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning models. The competition's main scientific question was the following: is machine learning a viable option for improving traditional combinatorial optimization solvers on specific problem distributions, when historical data is available? This was motivated by the fact that in many practical scenarios, the data changes only slightly between the repetitions of a combinatorial optimization problem, and this is an area where machine learning models are particularly powerful at. This paper summarizes the solution and lessons learned by the Huawei EI-OROAS team in the dual task of the competition. The submission of our team achieved the second place in the final ranking, with a very close distance to the first spot. In addition, our solution was ranked first consistently for several weekly leaderboard updates before the final evaluation. We provide insights gained from a large number of experiments, and argue that a simple Graph Convolutional Neural Network (GCNNs) can achieve state-of-the-art results if trained and tuned properly.

Large language models (LLMs) have shown impressive performance in various reasoning benchmarks with the emergence of Chain-of-Thought (CoT) and its derivative methods, particularly in tasks involving multi-choice questions (MCQs). However, current works all process data uniformly without considering the problem-solving difficulty, which means an excessive focus on simple questions while insufficient to intricate ones. To address this challenge, we inspired by humans using heuristic strategies to categorize tasks and handle them individually, propose to apply the Divide and Conquer to LLMs reasoning. First, we divide questions into different subsets based on the statistical confidence score (CS), then fix nearly resolved sets and conquer demanding nuanced process ones with elaborately designed methods, including Prior Knowledge based Reasoning (PKR) and Filter Choices based Reasoning (FCR), as well as their integration variants. Our experiments demonstrate that this proposed strategy significantly boosts the models' reasoning abilities across nine datasets involving arithmetic, commonsense, and logic tasks. For instance, compared to baseline, we make a striking improvement on low confidence subsets of 8.72\% for AQuA, 15.07\% for ARC Challenge and 7.71\% for RiddleSense. In addition, through extensive analysis on length of rationale and number of options, we verify that longer reasoning paths in PKR could prevent models from referring infer-harmful shortcuts, and also find that removing irrelevant choices in FCR would substantially avoid models' confusion. The code is at https://github.com/AiMijie/Divide-and-Conquer

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

This work proposes a procedure for designing algorithms for specific adaptive data collection tasks like active learning and pure-exploration multi-armed bandits. Unlike the design of traditional adaptive algorithms that rely on concentration of measure and careful analysis to justify the correctness and sample complexity of the procedure, our adaptive algorithm is learned via adversarial training over equivalence classes of problems derived from information theoretic lower bounds. In particular, a single adaptive learning algorithm is learned that competes with the best adaptive algorithm learned for each equivalence class. Our procedure takes as input just the available queries, set of hypotheses, loss function, and total query budget. This is in contrast to existing meta-learning work that learns an adaptive algorithm relative to an explicit, user-defined subset or prior distribution over problems which can be challenging to define and be mismatched to the instance encountered at test time. This work is particularly focused on the regime when the total query budget is very small, such as a few dozen, which is much smaller than those budgets typically considered by theoretically derived algorithms. We perform synthetic experiments to justify the stability and effectiveness of the training procedure, and then evaluate the method on tasks derived from real data including a noisy 20 Questions game and a joke recommendation task.

Designing recommendation systems with limited or no available training data remains a challenge. To that end, a new combinatorial optimization problem is formulated to generate optimized item selection for experimentation with the goal to shorten the time for collecting randomized training data. We first present an overview of the optimized item selection problem and a multi-level optimization framework to solve it. The approach integrates techniques from discrete optimization, unsupervised clustering, and latent text embeddings. We then discuss how to incorporate optimized item selection with active learning as part of randomized exploration in an ongoing fashion.

This paper presents our winning submission to the AI Mathematical Olympiad - Progress Prize 2 (AIMO-2) competition. Our recipe for building state-of-the-art mathematical reasoning models relies on three key pillars. First, we create a large-scale dataset comprising 540K unique high-quality math problems, including olympiad-level problems, and their 3.2M long-reasoning solutions. Second, we develop a novel method to integrate code execution with long reasoning models through iterative training, generation, and quality filtering, resulting in 1.7M high-quality Tool-Integrated Reasoning solutions. Third, we create a pipeline to train models to select the most promising solution from many candidates. We show that such generative solution selection (GenSelect) can significantly improve upon majority voting baseline. Combining these ideas, we train a series of models that achieve state-of-the-art results on mathematical reasoning benchmarks. To facilitate further research, we release our code, models, and the complete OpenMathReasoning dataset under a commercially permissive license.

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are limited by their reliance on predefined heuristics and computationally expensive exploration strategies. We propose Policy-Guided Tree Search (PGTS), a framework that combines reinforcement learning with structured tree exploration to efficiently navigate reasoning paths. Our key innovation is a learned policy that dynamically decides between expanding, branching, backtracking, or terminating exploration, eliminating the need for manual heuristics or exhaustive search. Experiments across mathematical reasoning, logical deduction, and planning benchmarks demonstrate that PGTS achieves superior reasoning performance while significantly reducing computational costs compared to existing methods. These results establish PGTS as a scalable and effective solution for tackling complex reasoning tasks with LLMs.

We consider the problem of ranking n experts based on their performances on d tasks. We make a monotonicity assumption stating that for each pair of experts, one outperforms the other on all tasks. We consider the sequential setting where in each round, the learner has access to noisy evaluations of actively chosen pair of expert-task, given the information available up to the actual round. Given a confidence parameter delta in (0, 1), we provide strategies allowing to recover the correct ranking of experts and develop a bound on the total number of queries made by our algorithm that hold with probability at least 1 -- delta. We show that our strategy is adaptive to the complexity of the problem (our bounds are instance dependent), and develop matching lower bounds up to a poly-logarithmic factor. Finally, we adapt our strategy to the relaxed problem of best expert identification and provide numerical simulation consistent with our theoretical results.

The Unmanned Aerial Vehicle (UAV) path planning problem is a complex optimization problem in the field of robotics. In this paper, we investigate the possible utilization of this problem in benchmarking global optimization methods. We devise a problem instance generator and pick 56 representative instances, which we compare to established benchmarking suits through Exploratory Landscape Analysis to show their uniqueness. For the computational comparison, we select twelve well-performing global optimization techniques from both subfields of stochastic algorithms (evolutionary computation methods) and deterministic algorithms (Dividing RECTangles, or DIRECT-type methods). The experiments were conducted in settings with varying dimensionality and computational budgets. The results were analyzed through several criteria (number of best-found solutions, mean relative error, Friedman ranks) and utilized established statistical tests. The best-ranking methods for the UAV problems were almost universally the top-performing evolutionary techniques from recent competitions on numerical optimization at the Institute of Electrical and Electronics Engineers Congress on Evolutionary Computation. Lastly, we discussed the variable dimension characteristics of the studied UAV problems that remain still largely under-investigated.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

Prompt optimization aims to find the best prompt to a large language model (LLM) for a given task. LLMs have been successfully used to help find and improve prompt candidates for single-step tasks. However, realistic tasks for agents are multi-step and introduce new challenges: (1) Prompt content is likely to be more extensive and complex, making it more difficult for LLMs to analyze errors, (2) the impact of an individual step is difficult to evaluate, and (3) different people may have varied preferences about task execution. While humans struggle to optimize prompts, they are good at providing feedback about LLM outputs; we therefore introduce a new LLM-driven discrete prompt optimization framework PRompt Optimization in Multi-Step Tasks (PROMST) that incorporates human-designed feedback rules to automatically offer direct suggestions for improvement. We also use an extra learned heuristic model that predicts prompt performance to efficiently sample from prompt candidates. This approach significantly outperforms both human-engineered prompts and several other prompt optimization methods across 11 representative multi-step tasks (an average 10.6\%-29.3\% improvement to current best methods on five LLMs respectively). We believe our work can serve as a benchmark for automatic prompt optimization for LLM-driven multi-step tasks. Datasets and Codes are available at https://github.com/yongchao98/PROMST. Project Page is available at https://yongchao98.github.io/MIT-REALM-PROMST.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

We present AI-SARAH, a practical variant of SARAH. As a variant of SARAH, this algorithm employs the stochastic recursive gradient yet adjusts step-size based on local geometry. AI-SARAH implicitly computes step-size and efficiently estimates local Lipschitz smoothness of stochastic functions. It is fully adaptive, tune-free, straightforward to implement, and computationally efficient. We provide technical insight and intuitive illustrations on its design and convergence. We conduct extensive empirical analysis and demonstrate its strong performance compared with its classical counterparts and other state-of-the-art first-order methods in solving convex machine learning problems.

Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.

In this paper we address the solution of the popular Wordle puzzle, using new reinforcement learning methods, which apply more generally to adaptive control of dynamic systems and to classes of Partially Observable Markov Decision Process (POMDP) problems. These methods are based on approximation in value space and the rollout approach, admit a straightforward implementation, and provide improved performance over various heuristic approaches. For the Wordle puzzle, they yield on-line solution strategies that are very close to optimal at relatively modest computational cost. Our methods are viable for more complex versions of Wordle and related search problems, for which an optimal strategy would be impossible to compute. They are also applicable to a wide range of adaptive sequential decision problems that involve an unknown or frequently changing environment whose parameters are estimated on-line.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

Levin Tree Search (LTS) is a search algorithm that makes use of a policy (a probability distribution over actions) and comes with a theoretical guarantee on the number of expansions before reaching a goal node, depending on the quality of the policy. This guarantee can be used as a loss function, which we call the LTS loss, to optimize neural networks representing the policy (LTS+NN). In this work we show that the neural network can be substituted with parameterized context models originating from the online compression literature (LTS+CM). We show that the LTS loss is convex under this new model, which allows for using standard convex optimization tools, and obtain convergence guarantees to the optimal parameters in an online setting for a given set of solution trajectories -- guarantees that cannot be provided for neural networks. The new LTS+CM algorithm compares favorably against LTS+NN on several benchmarks: Sokoban (Boxoban), The Witness, and the 24-Sliding Tile puzzle (STP). The difference is particularly large on STP, where LTS+NN fails to solve most of the test instances while LTS+CM solves each test instance in a fraction of a second. Furthermore, we show that LTS+CM is able to learn a policy that solves the Rubik's cube in only a few hundred expansions, which considerably improves upon previous machine learning techniques.

Several recent advances in AI systems (e.g., Tree-of-Thoughts and Program-Aided Language Models) solve problems by providing a "scaffolding" program that structures multiple calls to language models to generate better outputs. A scaffolding program is written in a programming language such as Python. In this work, we use a language-model-infused scaffolding program to improve itself. We start with a seed "improver" that improves an input program according to a given utility function by querying a language model several times and returning the best solution. We then run this seed improver to improve itself. Across a small set of downstream tasks, the resulting improved improver generates programs with significantly better performance than its seed improver. Afterward, we analyze the variety of self-improvement strategies proposed by the language model, including beam search, genetic algorithms, and simulated annealing. Since the language models themselves are not altered, this is not full recursive self-improvement. Nonetheless, it demonstrates that a modern language model, GPT-4 in our proof-of-concept experiments, is capable of writing code that can call itself to improve itself. We critically consider concerns around the development of self-improving technologies and evaluate the frequency with which the generated code bypasses a sandbox.

Code generation with large language models has shown significant promise, especially when employing retrieval-augmented generation (RAG) with few-shot examples. However, selecting effective examples that enhance generation quality remains a challenging task, particularly when the target programming language (PL) is underrepresented. In this study, we present two key findings: (1) retrieving examples whose presented algorithmic plans can be referenced for generating the desired behavior significantly improves generation accuracy, and (2) converting code into pseudocode effectively captures such algorithmic plans, enhancing retrieval quality even when the source and the target PLs are different. Based on these findings, we propose Plan-as-query Example Retrieval for few-shot prompting in Code generation (PERC), a novel framework that utilizes algorithmic plans to identify and retrieve effective examples. We validate the effectiveness of PERC through extensive experiments on the CodeContests, HumanEval and MultiPL-E benchmarks: PERC consistently outperforms the state-of-the-art RAG methods in code generation, both when the source and target programming languages match or differ, highlighting its adaptability and robustness in diverse coding environments.

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Large language models (LLMs) have shown increasing in-context learning capabilities through scaling up model and data size. Despite this progress, LLMs are still unable to solve algorithmic reasoning problems. While providing a rationale with the final answer has led to further improvements in multi-step reasoning problems, Anil et al. 2022 showed that even simple algorithmic reasoning tasks such as parity are far from solved. In this work, we identify and study four key stages for successfully teaching algorithmic reasoning to LLMs: (1) formulating algorithms as skills, (2) teaching multiple skills simultaneously (skill accumulation), (3) teaching how to combine skills (skill composition) and (4) teaching how to use skills as tools. We show that it is possible to teach algorithmic reasoning to LLMs via in-context learning, which we refer to as algorithmic prompting. We evaluate our approach on a variety of arithmetic and quantitative reasoning tasks, and demonstrate significant boosts in performance over existing prompting techniques. In particular, for long parity, addition, multiplication and subtraction, we achieve an error reduction of approximately 10x, 9x, 5x and 2x respectively compared to the best available baselines.

We present a new approach for the approximate K-nearest neighbor search based on navigable small world graphs with controllable hierarchy (Hierarchical NSW, HNSW). The proposed solution is fully graph-based, without any need for additional search structures, which are typically used at the coarse search stage of the most proximity graph techniques. Hierarchical NSW incrementally builds a multi-layer structure consisting from hierarchical set of proximity graphs (layers) for nested subsets of the stored elements. The maximum layer in which an element is present is selected randomly with an exponentially decaying probability distribution. This allows producing graphs similar to the previously studied Navigable Small World (NSW) structures while additionally having the links separated by their characteristic distance scales. Starting search from the upper layer together with utilizing the scale separation boosts the performance compared to NSW and allows a logarithmic complexity scaling. Additional employment of a heuristic for selecting proximity graph neighbors significantly increases performance at high recall and in case of highly clustered data. Performance evaluation has demonstrated that the proposed general metric space search index is able to strongly outperform previous opensource state-of-the-art vector-only approaches. Similarity of the algorithm to the skip list structure allows straightforward balanced distributed implementation.

We propose an online training procedure for a transformer-based automated theorem prover. Our approach leverages a new search algorithm, HyperTree Proof Search (HTPS), inspired by the recent success of AlphaZero. Our model learns from previous proof searches through online training, allowing it to generalize to domains far from the training distribution. We report detailed ablations of our pipeline's main components by studying performance on three environments of increasing complexity. In particular, we show that with HTPS alone, a model trained on annotated proofs manages to prove 65.4% of a held-out set of Metamath theorems, significantly outperforming the previous state of the art of 56.5% by GPT-f. Online training on these unproved theorems increases accuracy to 82.6%. With a similar computational budget, we improve the state of the art on the Lean-based miniF2F-curriculum dataset from 31% to 42% proving accuracy.

The Text-to-SQL(Text2SQL) task aims to convert natural language queries into executable SQL queries. Thanks to the application of large language models (LLMs), significant progress has been made in this field. However, challenges such as model scalability, limited generation space, and coherence issues in SQL generation still persist. To address these issues, we propose SQL-o1, a Self-Reward-based heuristic search method designed to enhance the reasoning ability of LLMs in SQL query generation. SQL-o1 combines Monte Carlo Tree Search (MCTS) for heuristic process-level search and constructs a Schema-Aware dataset to help the model better understand database schemas. Extensive experiments on the Bird and Spider datasets demonstrate that SQL-o1 improves execution accuracy by 10.8\% on the complex Bird dataset compared to the latest baseline methods, even outperforming GPT-4-based approaches. Additionally, SQL-o1 excels in few-shot learning scenarios and shows strong cross-model transferability. Our code is publicly available at:https://github.com/ShuaiLyu0110/SQL-o1.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

In this paper, we revisit one of the simplest problems in data structures: the task of inserting elements into an open-addressed hash table so that elements can later be retrieved with as few probes as possible. We show that, even without reordering elements over time, it is possible to construct a hash table that achieves far better expected search complexities (both amortized and worst-case) than were previously thought possible. Along the way, we disprove the central conjecture left by Yao in his seminal paper ``Uniform Hashing is Optimal''. All of our results come with matching lower bounds.

Active Learning (AL) is a well-known standard method for efficiently obtaining annotated data by first labeling the samples that contain the most information based on a query strategy. In the past, a large variety of such query strategies has been proposed, with each generation of new strategies increasing the runtime and adding more complexity. However, to the best of our our knowledge, none of these strategies excels consistently over a large number of datasets from different application domains. Basically, most of the the existing AL strategies are a combination of the two simple heuristics informativeness and representativeness, and the big differences lie in the combination of the often conflicting heuristics. Within this paper, we propose ImitAL, a domain-independent novel query strategy, which encodes AL as a learning-to-rank problem and learns an optimal combination between both heuristics. We train ImitAL on large-scale simulated AL runs on purely synthetic datasets. To show that ImitAL was successfully trained, we perform an extensive evaluation comparing our strategy on 13 different datasets, from a wide range of domains, with 7 other query strategies.

Conformant planning is the problem of finding a sequence of actions for achieving a goal in the presence of uncertainty in the initial state or action effects. The problem has been approached as a path-finding problem in belief space where good belief representations and heuristics are critical for scaling up. In this work, a different formulation is introduced for conformant problems with deterministic actions where they are automatically converted into classical ones and solved by an off-the-shelf classical planner. The translation maps literals L and sets of assumptions t about the initial situation, into new literals KL/t that represent that L must be true if t is initially true. We lay out a general translation scheme that is sound and establish the conditions under which the translation is also complete. We show that the complexity of the complete translation is exponential in a parameter of the problem called the conformant width, which for most benchmarks is bounded. The planner based on this translation exhibits good performance in comparison with existing planners, and is the basis for T0, the best performing planner in the Conformant Track of the 2006 International Planning Competition.

Applying reinforcement learning (RL) to combinatorial optimization problems is attractive as it removes the need for expert knowledge or pre-solved instances. However, it is unrealistic to expect an agent to solve these (often NP-)hard problems in a single shot at inference due to their inherent complexity. Thus, leading approaches often implement additional search strategies, from stochastic sampling and beam search to explicit fine-tuning. In this paper, we argue for the benefits of learning a population of complementary policies, which can be simultaneously rolled out at inference. To this end, we introduce Poppy, a simple training procedure for populations. Instead of relying on a predefined or hand-crafted notion of diversity, Poppy induces an unsupervised specialization targeted solely at maximizing the performance of the population. We show that Poppy produces a set of complementary policies, and obtains state-of-the-art RL results on four popular NP-hard problems: traveling salesman, capacitated vehicle routing, 0-1 knapsack, and job-shop scheduling.

We study single-machine scheduling of jobs, each belonging to a job type that determines its duration distribution. We start by analyzing the scenario where the type characteristics are known and then move to two learning scenarios where the types are unknown: non-preemptive problems, where each started job must be completed before moving to another job; and preemptive problems, where job execution can be paused in the favor of moving to a different job. In both cases, we design algorithms that achieve sublinear excess cost, compared to the performance with known types, and prove lower bounds for the non-preemptive case. Notably, we demonstrate, both theoretically and through simulations, how preemptive algorithms can greatly outperform non-preemptive ones when the durations of different job types are far from one another, a phenomenon that does not occur when the type durations are known.

LLM test-time compute (or LLM inference) via search has emerged as a promising research area with rapid developments. However, current frameworks often adopt distinct perspectives on three key aspects (task definition, LLM profiling, and search procedures), making direct comparisons challenging. Moreover, the search algorithms employed often diverge from standard implementations, and their specific characteristics are not thoroughly specified. In this survey, we provide a comprehensive technical review that unifies task definitions and provides modular definitions of LLM profiling and search procedures. The definitions enable precise comparisons of various LLM inference frameworks while highlighting their departures from conventional search algorithms. We also discuss the applicability, performance, and efficiency of these methods. For further details and ongoing updates, please refer to our GitHub repository: https://github.com/xinzhel/LLM-Agent-Survey/blob/main/search.md

The study of hardest and easiest fitness landscapes is an active area of research. Recently, Kaufmann, Larcher, Lengler and Zou conjectured that for the self-adjusting (1,lambda)-EA, Adversarial Dynamic BinVal (ADBV) is the hardest dynamic monotone function to optimize. We introduce the function Switching Dynamic BinVal (SDBV) which coincides with ADBV whenever the number of remaining zeros in the search point is strictly less than n/2, where n denotes the dimension of the search space. We show, using a combinatorial argument, that for the (1+1)-EA with any mutation rate p in [0,1], SDBV is drift-minimizing among the class of dynamic monotone functions. Our construction provides the first explicit example of an instance of the partially-ordered evolutionary algorithm (PO-EA) model with parameterized pessimism introduced by Colin, Doerr and F\'erey, building on work of Jansen. We further show that the (1+1)-EA optimizes SDBV in Theta(n^{3/2}) generations. Our simulations demonstrate matching runtimes for both static and self-adjusting (1,lambda) and (1+lambda)-EA. We further show, using an example of fixed dimension, that drift-minimization does not equal maximal runtime.

Byte-Pair Encoding (BPE) is a popular algorithm used for tokenizing data in NLP, despite being devised initially as a compression method. BPE appears to be a greedy algorithm at face value, but the underlying optimization problem that BPE seeks to solve has not yet been laid down. We formalize BPE as a combinatorial optimization problem. Via submodular functions, we prove that the iterative greedy version is a 1{{sigma(mu^star)}}(1-e^{-{sigma(mu^star)}})-approximation of an optimal merge sequence, where {sigma(mu^star)} is the total backward curvature with respect to the optimal merge sequence mu^star. Empirically the lower bound of the approximation is approx 0.37. We provide a faster implementation of BPE which improves the runtime complexity from Oleft(N Mright) to Oleft(N log Mright), where N is the sequence length and M is the merge count. Finally, we optimize the brute-force algorithm for optimal BPE using memoization.

To deduce new facts on a knowledge graph (KG), a link predictor learns from the graph structure and collects local evidence to find the answer to a given query. However, existing methods suffer from a severe scalability problem due to the utilization of the whole KG for prediction, which hinders their promise on large scale KGs and cannot be directly addressed by vanilla sampling methods. In this work, we propose the one-shot-subgraph link prediction to achieve efficient and adaptive prediction. The design principle is that, instead of directly acting on the whole KG, the prediction procedure is decoupled into two steps, i.e., (i) extracting only one subgraph according to the query and (ii) predicting on this single, query dependent subgraph. We reveal that the non-parametric and computation-efficient heuristics Personalized PageRank (PPR) can effectively identify the potential answers and supporting evidence. With efficient subgraph-based prediction, we further introduce the automated searching of the optimal configurations in both data and model spaces. Empirically, we achieve promoted efficiency and leading performances on five large-scale benchmarks. The code is publicly available at: https://github.com/tmlr-group/one-shot-subgraph.

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

Many resource management problems require sequential decision-making under uncertainty, where the only uncertainty affecting the decision outcomes are exogenous variables outside the control of the decision-maker. We model these problems as Exo-MDPs (Markov Decision Processes with Exogenous Inputs) and design a class of data-efficient algorithms for them termed Hindsight Learning (HL). Our HL algorithms achieve data efficiency by leveraging a key insight: having samples of the exogenous variables, past decisions can be revisited in hindsight to infer counterfactual consequences that can accelerate policy improvements. We compare HL against classic baselines in the multi-secretary and airline revenue management problems. We also scale our algorithms to a business-critical cloud resource management problem -- allocating Virtual Machines (VMs) to physical machines, and simulate their performance with real datasets from a large public cloud provider. We find that HL algorithms outperform domain-specific heuristics, as well as state-of-the-art reinforcement learning methods.

Algorithmic Recourse (AR) is the problem of computing a sequence of actions that -- once performed by a user -- overturns an undesirable machine decision. It is paramount that the sequence of actions does not require too much effort for users to implement. Yet, most approaches to AR assume that actions cost the same for all users, and thus may recommend unfairly expensive recourse plans to certain users. Prompted by this observation, we introduce PEAR, the first human-in-the-loop approach capable of providing personalized algorithmic recourse tailored to the needs of any end-user. PEAR builds on insights from Bayesian Preference Elicitation to iteratively refine an estimate of the costs of actions by asking choice set queries to the target user. The queries themselves are computed by maximizing the Expected Utility of Selection, a principled measure of information gain accounting for uncertainty on both the cost estimate and the user's responses. PEAR integrates elicitation into a Reinforcement Learning agent coupled with Monte Carlo Tree Search to quickly identify promising recourse plans. Our empirical evaluation on real-world datasets highlights how PEAR produces high-quality personalized recourse in only a handful of iterations.

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting (OPRO), a simple and effective approach to leverage large language models (LLMs) as optimizers, where the optimization task is described in natural language. In each optimization step, the LLM generates new solutions from the prompt that contains previously generated solutions with their values, then the new solutions are evaluated and added to the prompt for the next optimization step. We first showcase OPRO on linear regression and traveling salesman problems, then move on to prompt optimization where the goal is to find instructions that maximize the task accuracy. With a variety of LLMs, we demonstrate that the best prompts optimized by OPRO outperform human-designed prompts by up to 8% on GSM8K, and by up to 50% on Big-Bench Hard tasks.

Since the introduction of DQN, a vast majority of reinforcement learning research has focused on reinforcement learning with deep neural networks as function approximators. New methods are typically evaluated on a set of environments that have now become standard, such as Atari 2600 games. While these benchmarks help standardize evaluation, their computational cost has the unfortunate side effect of widening the gap between those with ample access to computational resources, and those without. In this work we argue that, despite the community's emphasis on large-scale environments, the traditional small-scale environments can still yield valuable scientific insights and can help reduce the barriers to entry for underprivileged communities. To substantiate our claims, we empirically revisit the paper which introduced the Rainbow algorithm [Hessel et al., 2018] and present some new insights into the algorithms used by Rainbow.

Recently, test-time scaling has garnered significant attention from the research community, largely due to the substantial advancements of the o1 model released by OpenAI. By allocating more computational resources during the inference phase, large language models~(LLMs) can extensively explore the solution space by generating more thought tokens or diverse solutions, thereby producing more accurate responses. However, developing an o1-like reasoning approach is challenging, and researchers have been making various attempts to advance this open area of research. In this paper, we present a preliminary exploration into enhancing the reasoning abilities of LLMs through reward-guided tree search algorithms. This framework is implemented by integrating the policy model, reward model, and search algorithm. It is primarily constructed around a tree search algorithm, where the policy model navigates a dynamically expanding tree guided by a specially trained reward model. We thoroughly explore various design considerations necessary for implementing this framework and provide a detailed report of the technical aspects. To assess the effectiveness of our approach, we focus on mathematical reasoning tasks and conduct extensive evaluations on four challenging datasets, significantly enhancing the reasoning abilities of LLMs.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to instruct LLMs proficiently poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structured design template, incurring high learning costs and resulting in low reusability. In addition, it is not conducive to the iterative updating of prompts. Inspired by structured reusable programming languages, we propose LangGPT, a dual-layer prompt design framework as the programming language for LLMs. LangGPT has an easy-to-learn normative structure and provides an extended structure for migration and reuse. Experiments illustrate that LangGPT significantly enhances the performance of LLMs. Moreover, the case study shows that LangGPT leads LLMs to generate higher-quality responses. Furthermore, we analyzed the ease of use and reusability of LangGPT through a user survey in our online community.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

Existing combinatorial search methods are often complex and require some level of expertise. This work introduces a simple and efficient deep learning method for solving combinatorial problems with a predefined goal, represented by Rubik's Cube. We demonstrate that, for such problems, training a deep neural network on random scrambles branching from the goal state is sufficient to achieve near-optimal solutions. When tested on Rubik's Cube, 15 Puzzle, and 7times7 Lights Out, our method outperformed the previous state-of-the-art method DeepCubeA, improving the trade-off between solution optimality and computational cost, despite significantly less training data. Furthermore, we investigate the scaling law of our Rubik's Cube solver with respect to model size and training data volume.

There is growing interest in utilizing large language models (LLMs) as co-pilots for combinatorial optimization and constraint programming tasks across various problems. This paper aims to advance this line of research by introducing Text2Zinc}, a cross-domain dataset for capturing optimization and satisfaction problems specified in natural language text. Our work is distinguished from previous attempts by integrating both satisfaction and optimization problems within a unified dataset using a solver-agnostic modeling language. To achieve this, we leverage MiniZinc's solver-and-paradigm-agnostic modeling capabilities to formulate these problems. Using the Text2Zinc dataset, we conduct comprehensive baseline experiments to compare execution and solution accuracy across several methods, including off-the-shelf prompting strategies, chain-of-thought reasoning, and a compositional approach. Additionally, we explore the effectiveness of intermediary representations, specifically knowledge graphs. Our findings indicate that LLMs are not yet a push-button technology to model combinatorial problems from text. We hope that Text2Zinc serves as a valuable resource for researchers and practitioners to advance the field further.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

We present the workflow of Online Iterative Reinforcement Learning from Human Feedback (RLHF) in this technical report, which is widely reported to outperform its offline counterpart by a large margin in the recent large language model (LLM) literature. However, existing open-source RLHF projects are still largely confined to the offline learning setting. In this technical report, we aim to fill in this gap and provide a detailed recipe that is easy to reproduce for online iterative RLHF. In particular, since online human feedback is usually infeasible for open-source communities with limited resources, we start by constructing preference models using a diverse set of open-source datasets and use the constructed proxy preference model to approximate human feedback. Then, we discuss the theoretical insights and algorithmic principles behind online iterative RLHF, followed by a detailed practical implementation. Our trained LLM, SFR-Iterative-DPO-LLaMA-3-8B-R, achieves impressive performance on LLM chatbot benchmarks, including AlpacaEval-2, Arena-Hard, and MT-Bench, as well as other academic benchmarks such as HumanEval and TruthfulQA. We have shown that supervised fine-tuning (SFT) and iterative RLHF can obtain state-of-the-art performance with fully open-source datasets. Further, we have made our models, curated datasets, and comprehensive step-by-step code guidebooks publicly available. Please refer to https://github.com/RLHFlow/RLHF-Reward-Modeling and https://github.com/RLHFlow/Online-RLHF for more detailed information.

In this paper, we introduce the Preselection Bandit problem, in which the learner preselects a subset of arms (choice alternatives) for a user, which then chooses the final arm from this subset. The learner is not aware of the user's preferences, but can learn them from observed choices. In our concrete setting, we allow these choices to be stochastic and model the user's actions by means of the Plackett-Luce model. The learner's main task is to preselect subsets that eventually lead to highly preferred choices. To formalize this goal, we introduce a reasonable notion of regret and derive lower bounds on the expected regret. Moreover, we propose algorithms for which the upper bound on expected regret matches the lower bound up to a logarithmic term of the time horizon.

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

In this paper, we present improved learning-augmented algorithms for the multi-option ski rental problem. Learning-augmented algorithms take ML predictions as an added part of the input and incorporates these predictions in solving the given problem. Due to their unique strength that combines the power of ML predictions with rigorous performance guarantees, they have been extensively studied in the context of online optimization problems. Even though ski rental problems are one of the canonical problems in the field of online optimization, only deterministic algorithms were previously known for multi-option ski rental, with or without learning augmentation. We present the first randomized learning-augmented algorithm for this problem, surpassing previous performance guarantees given by deterministic algorithms. Our learning-augmented algorithm is based on a new, provably best-possible randomized competitive algorithm for the problem. Our results are further complemented by lower bounds for deterministic and randomized algorithms, and computational experiments evaluating our algorithms' performance improvements.

This study evaluates large language models (LLMs) in generating code from algorithm descriptions from recent NLP papers. The task requires two key competencies: (1) algorithm comprehension: synthesizing information from papers and academic literature to understand implementation logic, and (2) coding expertise: identifying dependencies and correctly implementing necessary APIs. To facilitate rigorous evaluation, we introduce SciReplicate-Bench, a benchmark of 100 tasks from 36 NLP papers published in 2024, featuring detailed annotations and comprehensive test cases. Building on SciReplicate-Bench, we propose Sci-Reproducer, a multi-agent framework consisting of a Paper Agent that interprets algorithmic concepts from literature and a Code Agent that retrieves dependencies from repositories and implement solutions. To assess algorithm understanding, we introduce reasoning graph accuracy, which quantifies similarity between generated and reference reasoning graphs derived from code comments and structure. For evaluating implementation quality, we employ execution accuracy, CodeBLEU, and repository dependency/API recall metrics. In our experiments, we evaluate various powerful Non-Reasoning LLMs and Reasoning LLMs as foundational models. The best-performing LLM using Sci-Reproducer achieves only 39% execution accuracy, highlighting the benchmark's difficulty.Our analysis identifies missing or inconsistent algorithm descriptions as key barriers to successful reproduction. We will open-source our benchmark, and code at https://github.com/xyzCS/SciReplicate-Bench.

LLM agents enhanced by tree search algorithms have yielded notable performances in code generation. However, current search algorithms in this domain suffer from low search quality due to several reasons: 1) Ineffective design of the search space for the high-reasoning demands of code generation tasks, 2) Inadequate integration of code feedback with the search algorithm, and 3) Poor handling of negative feedback during the search, leading to reduced search efficiency and quality. To address these challenges, we propose to search for the reasoning process of the code and use the detailed feedback of code execution to refine erroneous thoughts during the search. In this paper, we introduce RethinkMCTS, which employs the Monte Carlo Tree Search (MCTS) algorithm to conduct thought-level searches before generating code, thereby exploring a wider range of strategies. More importantly, we construct verbal feedback from fine-grained code execution feedback to refine erroneous thoughts during the search. This ensures that the search progresses along the correct reasoning paths, thus improving the overall search quality of the tree by leveraging execution feedback. Through extensive experiments, we demonstrate that RethinkMCTS outperforms previous search-based and feedback-based code generation baselines. On the HumanEval dataset, it improves the pass@1 of GPT-3.5-turbo from 70.12 to 89.02 and GPT-4o-mini from 87.20 to 94.51. It effectively conducts more thorough exploration through thought-level searches and enhances the search quality of the entire tree by incorporating rethink operation.

Planning remains one of the last standing bastions for large language models (LLMs), which now turn their attention to search. Most of the literature uses the language models as world models to define the search space, forgoing soundness for the sake of flexibility. A recent work, Thought of Search (ToS), proposed defining the search space with code, having the language models produce that code. ToS requires a human in the loop, collaboratively producing a sound successor function and goal test. The result, however, is worth the effort: all the tested datasets were solved with 100% accuracy. At the same time LLMs have demonstrated significant progress in code generation and refinement for complex reasoning tasks. In this work, we automate ToS (AutoToS), completely taking the human out of the loop of solving planning problems. AutoToS guides the language model step by step towards the generation of sound and complete search components, through feedback from both generic and domain specific unit tests. We achieve 100% accuracy, with minimal feedback iterations, using LLMs of various sizes on all evaluated domains.

Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to compile or generate incorrect outputs. The main reason is that conventional Transformer decoding algorithms may not be the best choice for code generation. In this work, we propose a novel Transformer decoding algorithm, Planning-Guided Transformer Decoding (PG-TD), that uses a planning algorithm to do lookahead search and guide the Transformer to generate better programs. Specifically, instead of simply optimizing the likelihood of the generated sequences, the Transformer makes use of a planner to generate candidate programs and test them on public test cases. The Transformer can therefore make more informed decisions and generate tokens that will eventually lead to higher-quality programs. We also design a mechanism that shares information between the Transformer and the planner to make our algorithm computationally efficient. We empirically evaluate our framework with several large language models as backbones on public coding challenge benchmarks, showing that 1) it can generate programs that consistently achieve higher performance compared with competing baseline methods; 2) it enables controllable code generation, such as concise codes and highly-commented codes by optimizing modified objective.

We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach leverages human judgment to distinguish inputs which are algorithmically indistinguishable, or "look the same" to predictive algorithms. We argue that this framing clarifies the problem of human-AI collaboration in prediction tasks, as experts often form judgments by drawing on information which is not encoded in an algorithm's training data. Algorithmic indistinguishability yields a natural test for assessing whether experts incorporate this kind of "side information", and further provides a simple but principled method for selectively incorporating human feedback into algorithmic predictions. We show that this method provably improves the performance of any feasible algorithmic predictor and precisely quantify this improvement. We find empirically that although algorithms often outperform their human counterparts on average, human judgment can improve algorithmic predictions on specific instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs' discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10--20 times slower but leads to negligible performance gains, which hinders its real-world applications. Code and data will be released at https://github.com/OSU-NLP-Group/llm-planning-eval.

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic assignment problem and use inferences made by the trained model to calculate fitness function evaluations of a genetic algorithm (GA) to approximate solutions for NDPs. Using three test networks, two NDP variants and an exact solver as benchmark, we show that on average, our proposed framework can provide solutions within 1.5% gap of the best results in less than 0.5% of the time used by the exact solution procedure. Our framework can be utilized within an expert system for infrastructure planning to determine the best infrastructure planning and management decisions under different scenarios. Given the flexibility of the framework, it can easily be adapted to many other decision problems that can be modeled as bi-level problems on graphs. Moreover, we foreseen interesting future research directions, thus we also put forward a brief research agenda for this topic. The key observation from our research that can shape future research is that the fitness function evaluation time using the inferences made by the GNN model was in the order of milliseconds, which points to an opportunity and a need for novel heuristics that 1) can cope well with noisy fitness function values provided by deep learning models, and 2) can use the significantly enlarged efficiency of the evaluation step to explore the search space effectively (rather than efficiently). This opens a new avenue for a modern class of metaheuristics that are crafted for use with AI-powered predictors.

We investigate the potential of GPT-4~gpt4 to perform Neural Architecture Search (NAS) -- the task of designing effective neural architectures. Our proposed approach, GPT-4 Enhanced Neural archItectUre Search (GENIUS), leverages the generative capabilities of GPT-4 as a black-box optimiser to quickly navigate the architecture search space, pinpoint promising candidates, and iteratively refine these candidates to improve performance. We assess GENIUS across several benchmarks, comparing it with existing state-of-the-art NAS techniques to illustrate its effectiveness. Rather than targeting state-of-the-art performance, our objective is to highlight GPT-4's potential to assist research on a challenging technical problem through a simple prompting scheme that requires relatively limited domain expertiseCode available at \href{https://github.com/mingkai-zheng/GENIUS{https://github.com/mingkai-zheng/GENIUS}.}. More broadly, we believe our preliminary results point to future research that harnesses general purpose language models for diverse optimisation tasks. We also highlight important limitations to our study, and note implications for AI safety.

Besides natural language processing, transformers exhibit extraordinary performance in solving broader applications, including scientific computing and computer vision. Previous works try to explain this from the expressive power and capability perspectives that standard transformers are capable of performing some algorithms. To empower transformers with algorithmic capabilities and motivated by the recently proposed looped transformer (Yang et al., 2024; Giannou et al., 2023), we design a novel transformer block, dubbed Algorithm Transformer (abbreviated as AlgoFormer). Compared with the standard transformer and vanilla looped transformer, the proposed AlgoFormer can achieve significantly higher expressiveness in algorithm representation when using the same number of parameters. In particular, inspired by the structure of human-designed learning algorithms, our transformer block consists of a pre-transformer that is responsible for task pre-processing, a looped transformer for iterative optimization algorithms, and a post-transformer for producing the desired results after post-processing. We provide theoretical evidence of the expressive power of the AlgoFormer in solving some challenging problems, mirroring human-designed algorithms. Furthermore, some theoretical and empirical results are presented to show that the designed transformer has the potential to be smarter than human-designed algorithms. Experimental results demonstrate the empirical superiority of the proposed transformer in that it outperforms the standard transformer and vanilla looped transformer in some challenging tasks.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

While scaling training compute has led to remarkable improvements in large language models (LLMs), scaling inference compute has not yet yielded analogous gains. We hypothesize that a core missing component is a lack of diverse LLM outputs, leading to inefficient search due to models repeatedly sampling highly similar, yet incorrect generations. We empirically demonstrate that this lack of diversity can be mitigated by searching over candidate plans for solving a problem in natural language. Based on this insight, we propose PLANSEARCH, a novel search algorithm which shows strong results across HumanEval+, MBPP+, and LiveCodeBench (a contamination-free benchmark for competitive coding). PLANSEARCH generates a diverse set of observations about the problem and then uses these observations to construct plans for solving the problem. By searching over plans in natural language rather than directly over code solutions, PLANSEARCH explores a significantly more diverse range of potential solutions compared to baseline search methods. Using PLANSEARCH on top of Claude 3.5 Sonnet achieves a state-of-the-art pass@200 of 77.0% on LiveCodeBench, outperforming both the best score achieved without search (pass@1 = 41.4%) and using standard repeated sampling (pass@200 = 60.6%). Finally, we show that, across all models, search algorithms, and benchmarks analyzed, we can accurately predict performance gains due to search as a direct function of the diversity over generated ideas.

We introduce iterative retrieval, a novel framework that empowers retrievers to make iterative decisions through policy optimization. Finding an optimal portfolio of retrieved items is a combinatorial optimization problem, generally considered NP-hard. This approach provides a learned approximation to such a solution, meeting specific task requirements under a given family of large language models (LLMs). We propose a training procedure based on reinforcement learning, incorporating feedback from LLMs. We instantiate an iterative retriever for composing in-context learning (ICL) exemplars and apply it to various semantic parsing tasks that demand synthesized programs as outputs. By adding only 4M additional parameters for state encoding, we convert an off-the-shelf dense retriever into a stateful iterative retriever, outperforming previous methods in selecting ICL exemplars on semantic parsing datasets such as CalFlow, TreeDST, and MTOP. Additionally, the trained iterative retriever generalizes across different inference LLMs beyond the one used during training.

Despite recent success in large language model (LLM) reasoning, LLMs struggle with hierarchical multi-step reasoning tasks like generating complex programs. For these tasks, humans often start with a high-level algorithmic design and implement each part gradually. We introduce Parsel, a framework enabling automatic implementation and validation of complex algorithms with code LLMs. With Parsel, we automatically decompose algorithmic tasks into hierarchical natural language function descriptions and then search over combinations of possible function implementations using tests. We show that Parsel can be used across domains requiring hierarchical reasoning, including program synthesis and robotic planning. We find that, using Parsel, LLMs solve more competition-level problems in the APPS dataset, resulting in pass rates over 75\% higher than prior results from directly sampling AlphaCode and Codex, while often using a smaller sample budget. Moreover, with automatically generated tests, we find that Parsel can improve the state-of-the-art pass@1 performance on HumanEval from 67\% to 85\%. We also find that LLM-generated robotic plans using Parsel are more than twice as likely to be considered accurate than directly generated plans. Lastly, we explore how Parsel addresses LLM limitations and discuss how Parsel may be useful for human programmers. We release our code at https://github.com/ezelikman/parsel

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems-a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agent frameworks against established human-designed algorithms, revealing key strengths and limitations of current approaches and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

Large language models (LLMs) have demonstrated remarkable zero-shot generalization abilities: state-of-the-art chatbots can provide plausible answers to many common questions that arise in daily life. However, so far, LLMs cannot reliably solve long-horizon planning problems. By contrast, classical planners, once a problem is given in a formatted way, can use efficient search algorithms to quickly identify correct, or even optimal, plans. In an effort to get the best of both worlds, this paper introduces LLM+P, the first framework that incorporates the strengths of classical planners into LLMs. LLM+P takes in a natural language description of a planning problem, then returns a correct (or optimal) plan for solving that problem in natural language. LLM+P does so by first converting the language description into a file written in the planning domain definition language (PDDL), then leveraging classical planners to quickly find a solution, and then translating the found solution back into natural language. Along with LLM+P, we define a diverse set of different benchmark problems taken from common planning scenarios. Via a comprehensive set of experiments on these benchmark problems, we find that LLM+P is able to provide optimal solutions for most problems, while LLMs fail to provide even feasible plans for most problems.\footnote{The code and results are publicly available at https://github.com/Cranial-XIX/llm-pddl.git.

The exponential growth of scientific literature necessitates advanced tools for effective knowledge exploration. We present Knowledge Navigator, a system designed to enhance exploratory search abilities by organizing and structuring the retrieved documents from broad topical queries into a navigable, two-level hierarchy of named and descriptive scientific topics and subtopics. This structured organization provides an overall view of the research themes in a domain, while also enabling iterative search and deeper knowledge discovery within specific subtopics by allowing users to refine their focus and retrieve additional relevant documents. Knowledge Navigator combines LLM capabilities with cluster-based methods to enable an effective browsing method. We demonstrate our approach's effectiveness through automatic and manual evaluations on two novel benchmarks, CLUSTREC-COVID and SCITOC. Our code, prompts, and benchmarks are made publicly available.

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for large language models (LLMs), even though they have demonstrated promising performance in other reasoning tasks. Within this context, some recent studies use programming languages (e.g., Python) to express the necessary logic for solving a given instance/question (e.g., Program-of-Thought) as inspired by their strict and precise syntaxes. However, it is non-trivial to write an executable code that expresses the correct logic on the fly within a single inference call. Also, the code generated specifically for an instance cannot be reused for others, even if they are from the same task and might require identical logic to solve. This paper presents Think-and-Execute, a novel framework that decomposes the reasoning process of language models into two steps. (1) In Think, we discover a task-level logic that is shared across all instances for solving a given task and then express the logic with pseudocode; (2) In Execute, we further tailor the generated pseudocode to each instance and simulate the execution of the code. With extensive experiments on seven algorithmic reasoning tasks, we demonstrate the effectiveness of Think-and-Execute. Our approach better improves LMs' reasoning compared to several strong baselines performing instance-specific reasoning (e.g., CoT and PoT), suggesting the helpfulness of discovering task-level logic. Also, we show that compared to natural language, pseudocode can better guide the reasoning of LMs, even though they are trained to follow natural language instructions.

This research proposes a new recommender system algorithm for online grocery shopping. The algorithm is based on the perspective that, since the grocery items are usually bought in bulk, a grocery recommender system should be capable of recommending the items in bulk. The algorithm figures out the possible dishes a user may cook based on the items added to the basket and recommends the ingredients accordingly. Our algorithm does not depend on the user ratings. Customers usually do not have the patience to rate the groceries they purchase. Therefore, algorithms that are not dependent on user ratings need to be designed. Instead of using a brute force search, this algorithm limits the search space to a set of only a few probably food categories. Each food category consists of several food subcategories. For example, "fried rice" and "biryani" are food subcategories that belong to the food category "rice". For each food category, items are ranked according to how well they can differentiate a food subcategory. To each food subcategory in the activated search space, this algorithm attaches a score. The score is calculated based on the rank of the items added to the basket. Once the score exceeds a threshold value, its corresponding subcategory gets activated. The algorithm then uses a basket-to-recipe similarity measure to identify the best recipe matches within the activated subcategories only. This reduces the search space to a great extent. We may argue that this algorithm is similar to the content-based recommender system in some sense, but it does not suffer from the limitations like limited content, over-specialization, or the new user problem.

Experts advising decision-makers are likely to display expertise which varies as a function of the problem instance. In practice, this may lead to sub-optimal or discriminatory decisions against minority cases. In this work we model such changes in depth and breadth of knowledge as a partitioning of the problem space into regions of differing expertise. We provide here new algorithms that explicitly consider and adapt to the relationship between problem instances and experts' knowledge. We first propose and highlight the drawbacks of a naive approach based on nearest neighbor queries. To address these drawbacks we then introduce a novel algorithm - expertise trees - that constructs decision trees enabling the learner to select appropriate models. We provide theoretical insights and empirically validate the improved performance of our novel approach on a range of problems for which existing methods proved to be inadequate.

State-of-the-art large language models (LLMs) exhibit impressive problem-solving capabilities but may struggle with complex reasoning and factual correctness. Existing methods harness the strengths of chain-of-thought and retrieval-augmented generation (RAG) to decompose a complex problem into simpler steps and apply retrieval to improve factual correctness. These methods work well on straightforward reasoning tasks but often falter on challenging tasks such as competitive programming and mathematics, due to frequent reasoning errors and irrelevant knowledge retrieval. To address this, we introduce Critic-guided planning with Retrieval-augmentation, CR-Planner, a novel framework that leverages fine-tuned critic models to guide both reasoning and retrieval processes through planning. CR-Planner solves a problem by iteratively selecting and executing sub-goals. Initially, it identifies the most promising sub-goal from reasoning, query generation, and retrieval, guided by rewards given by a critic model named sub-goal critic. It then executes this sub-goal through sampling and selecting the optimal output based on evaluations from another critic model named execution critic. This iterative process, informed by retrieved information and critic models, enables CR-Planner to effectively navigate the solution space towards the final answer. We employ Monte Carlo Tree Search to collect the data for training the critic models, allowing for a systematic exploration of action sequences and their long-term impacts. We validate CR-Planner on challenging domain-knowledge-intensive and reasoning-heavy tasks, including competitive programming, theorem-driven math reasoning, and complex domain retrieval problems. Our experiments demonstrate that CR-Planner significantly outperforms baselines, highlighting its effectiveness in addressing challenging problems by improving both reasoning and retrieval.

Computing olympiads contain some of the most challenging problems for humans, requiring complex algorithmic reasoning, puzzle solving, in addition to generating efficient code. However, it has been understudied as a domain to evaluate language models (LMs). In this paper, we introduce the USACO benchmark with 307 problems from the USA Computing Olympiad, along with high-quality unit tests, reference code, and official analyses for each problem. These resources enable us to construct and test a range of LM inference methods for competitive programming for the first time. We find GPT-4 only achieves a 8.7% pass@1 accuracy with zero-shot chain-of-thought prompting, and our best inference method improves it to 20.2% using a combination of self-reflection and retrieval over episodic knowledge. However, this is far from solving the benchmark. To better understand the remaining challenges, we design a novel human-in-the-loop study and surprisingly find that a small number of targeted hints enable GPT-4 to solve 13 out of 15 problems previously unsolvable by any model and method. Our benchmark, baseline methods, quantitative results, and qualitative analysis serve as an initial step toward LMs with grounded, creative, and algorithmic reasoning.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

The paper proposes a novel machine learning-based approach to the pathfinding problem on extremely large graphs. This method leverages diffusion distance estimation via a neural network and uses beam search for pathfinding. We demonstrate its efficiency by finding solutions for 4x4x4 and 5x5x5 Rubik's cubes with unprecedentedly short solution lengths, outperforming all available solvers and introducing the first machine learning solver beyond the 3x3x3 case. In particular, it surpasses every single case of the combined best results in the Kaggle Santa 2023 challenge, which involved over 1,000 teams. For the 3x3x3 Rubik's cube, our approach achieves an optimality rate exceeding 98%, matching the performance of task-specific solvers and significantly outperforming prior solutions such as DeepCubeA (60.3%) and EfficientCube (69.6%). Additionally, our solution is more than 26 times faster in solving 3x3x3 Rubik's cubes while requiring up to 18.5 times less model training time than the most efficient state-of-the-art competitor.

Eliciting reasoning capabilities from language models (LMs) is a critical direction on the path towards building intelligent systems. Most recent studies dedicated to reasoning focus on out-of-distribution performance on procedurally-generated synthetic benchmarks, bespoke-built to evaluate specific skills only. This trend makes results hard to transfer across publications, slowing down progress. Three years ago, a similar issue was identified and rectified in the field of neural algorithmic reasoning, with the advent of the CLRS benchmark. CLRS is a dataset generator comprising graph execution traces of classical algorithms from the Introduction to Algorithms textbook. Inspired by this, we propose CLRS-Text -- a textual version of these algorithmic traces. Out of the box, CLRS-Text is capable of procedurally generating trace data for thirty diverse, challenging algorithmic tasks across any desirable input distribution, while offering a standard pipeline in which any additional algorithmic tasks may be created in the benchmark. We fine-tune and evaluate various LMs as generalist executors on this benchmark, validating prior work and revealing a novel, interesting challenge for the LM reasoning community. Our code is available at https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.

LLMs have shown impressive progress in robotics (e.g., manipulation and navigation) with natural language task descriptions. The success of LLMs in these tasks leads us to wonder: What is the ability of LLMs to solve vehicle routing problems (VRPs) with natural language task descriptions? In this work, we study this question in three steps. First, we construct a dataset with 21 types of single- or multi-vehicle routing problems. Second, we evaluate the performance of LLMs across four basic prompt paradigms of text-to-code generation, each involving different types of text input. We find that the basic prompt paradigm, which generates code directly from natural language task descriptions, performs the best for GPT-4, achieving 56% feasibility, 40% optimality, and 53% efficiency. Third, based on the observation that LLMs may not be able to provide correct solutions at the initial attempt, we propose a framework that enables LLMs to refine solutions through self-reflection, including self-debugging and self-verification. With GPT-4, our proposed framework achieves a 16% increase in feasibility, a 7% increase in optimality, and a 15% increase in efficiency. Moreover, we examine the sensitivity of GPT-4 to task descriptions, specifically focusing on how its performance changes when certain details are omitted from the task descriptions, yet the core meaning is preserved. Our findings reveal that such omissions lead to a notable decrease in performance: 4% in feasibility, 4% in optimality, and 5% in efficiency. Website: https://sites.google.com/view/words-to-routes/

Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: We formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless. The proposed method outperforms existing ones, without imposing any structural assumptions on the graph such as bounded treewidth or in-degree. Code implementing the proposed algorithm is open-source and publicly available at https://github.com/xunzheng/notears.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

We introduce fast algorithms for correlation clustering with respect to the Min Max objective that provide constant factor approximations on complete graphs. Our algorithms are the first purely combinatorial approximation algorithms for this problem. We construct a novel semi-metric on the set of vertices, which we call the correlation metric, that indicates to our clustering algorithms whether pairs of nodes should be in the same cluster. The paper demonstrates empirically that, compared to prior work, our algorithms sacrifice little in the objective quality to obtain significantly better run-time. Moreover, our algorithms scale to larger networks that are effectively intractable for known algorithms.

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

We introduce HunyuanProver, an language model finetuned from the Hunyuan 7B for interactive automatic theorem proving with LEAN4. To alleviate the data sparsity issue, we design a scalable framework to iterative synthesize data with low cost. Besides, guided tree search algorithms are designed to enable effective ``system 2 thinking`` of the prover. HunyuanProver achieves state-of-the-art (SOTA) performances on major benchmarks. Specifically, it achieves a pass of 68.4% on the miniF2F-test compared to 65.9%, the current SOTA results. It proves 4 IMO statements (imo_1960_p2, imo_1962_p2}, imo_1964_p2 and imo_1983_p6) in miniF2F-test. To benefit the community, we will open-source a dataset of 30k synthesized instances, where each instance contains the original question in natural language, the converted statement by autoformalization, and the proof by HunyuanProver.

We initiate a principled study of algorithmic collective action on digital platforms that deploy machine learning algorithms. We propose a simple theoretical model of a collective interacting with a firm's learning algorithm. The collective pools the data of participating individuals and executes an algorithmic strategy by instructing participants how to modify their own data to achieve a collective goal. We investigate the consequences of this model in three fundamental learning-theoretic settings: the case of a nonparametric optimal learning algorithm, a parametric risk minimizer, and gradient-based optimization. In each setting, we come up with coordinated algorithmic strategies and characterize natural success criteria as a function of the collective's size. Complementing our theory, we conduct systematic experiments on a skill classification task involving tens of thousands of resumes from a gig platform for freelancers. Through more than two thousand model training runs of a BERT-like language model, we see a striking correspondence emerge between our empirical observations and the predictions made by our theory. Taken together, our theory and experiments broadly support the conclusion that algorithmic collectives of exceedingly small fractional size can exert significant control over a platform's learning algorithm.

The online knapsack problem is a classic problem in the field of online algorithms. Its canonical version asks how to pack items of different values and weights arriving online into a capacity-limited knapsack so as to maximize the total value of the admitted items. Although optimal competitive algorithms are known for this problem, they may be fundamentally unfair, i.e., individual items may be treated inequitably in different ways. Inspired by recent attention to fairness in online settings, we develop a natural and practically-relevant notion of time fairness for the online knapsack problem, and show that the existing optimal algorithms perform poorly under this metric. We propose a parameterized deterministic algorithm where the parameter precisely captures the Pareto-optimal trade-off between fairness and competitiveness. We show that randomization is theoretically powerful enough to be simultaneously competitive and fair; however, it does not work well in practice, using trace-driven experiments. To further improve the trade-off between fairness and competitiveness, we develop a fair, robust (competitive), and consistent learning-augmented algorithm with substantial performance improvement in trace-driven experiments.

There has been considerable divergence of opinion on the reasoning abilities of Large Language Models (LLMs). While the initial optimism that reasoning might emerge automatically with scale has been tempered thanks to a slew of counterexamples, a wide spread belief in their iterative self-critique capabilities persists. In this paper, we set out to systematically investigate the effectiveness of iterative prompting of LLMs in the context of Graph Coloring, a canonical NP-complete reasoning problem that is related to propositional satisfiability as well as practical problems like scheduling and allocation. We present a principled empirical study of the performance of GPT4 in solving graph coloring instances or verifying the correctness of candidate colorings. In iterative modes, we experiment with the model critiquing its own answers and an external correct reasoner verifying proposed solutions. In both cases, we analyze whether the content of the criticisms actually affects bottom line performance. The study seems to indicate that (i) LLMs are bad at solving graph coloring instances (ii) they are no better at verifying a solution--and thus are not effective in iterative modes with LLMs critiquing LLM-generated solutions (iii) the correctness and content of the criticisms--whether by LLMs or external solvers--seems largely irrelevant to the performance of iterative prompting. We show that the observed increase in effectiveness is largely due to the correct solution being fortuitously present in the top-k completions of the prompt (and being recognized as such by an external verifier). Our results thus call into question claims about the self-critiquing capabilities of state of the art LLMs.

In this article, we describe an algorithm for solving Quadratic Unconstrained Binary Optimization problems on the Intel Loihi 2 neuromorphic processor. The solver is based on a hardware-aware fine-grained parallel simulated annealing algorithm developed for Intel's neuromorphic research chip Loihi 2. Preliminary results show that our approach can generate feasible solutions in as little as 1 ms and up to 37x more energy efficient compared to two baseline solvers running on a CPU. These advantages could be especially relevant for size-, weight-, and power-constrained edge computing applications.

The Right to Explanation and the Right to be Forgotten are two important principles outlined to regulate algorithmic decision making and data usage in real-world applications. While the right to explanation allows individuals to request an actionable explanation for an algorithmic decision, the right to be forgotten grants them the right to ask for their data to be deleted from all the databases and models of an organization. Intuitively, enforcing the right to be forgotten may trigger model updates which in turn invalidate previously provided explanations, thus violating the right to explanation. In this work, we investigate the technical implications arising due to the interference between the two aforementioned regulatory principles, and propose the first algorithmic framework to resolve the tension between them. To this end, we formulate a novel optimization problem to generate explanations that are robust to model updates due to the removal of training data instances by data deletion requests. We then derive an efficient approximation algorithm to handle the combinatorial complexity of this optimization problem. We theoretically demonstrate that our method generates explanations that are provably robust to worst-case data deletion requests with bounded costs in case of linear models and certain classes of non-linear models. Extensive experimentation with real-world datasets demonstrates the efficacy of the proposed framework.

Reward-based optimization algorithms require both exploration, to find rewards, and exploitation, to maximize performance. The need for efficient exploration is even more significant in sparse reward settings, in which performance feedback is given sparingly, thus rendering it unsuitable for guiding the search process. In this work, we introduce the SparsE Reward Exploration via Novelty and Emitters (SERENE) algorithm, capable of efficiently exploring a search space, as well as optimizing rewards found in potentially disparate areas. Contrary to existing emitters-based approaches, SERENE separates the search space exploration and reward exploitation into two alternating processes. The first process performs exploration through Novelty Search, a divergent search algorithm. The second one exploits discovered reward areas through emitters, i.e. local instances of population-based optimization algorithms. A meta-scheduler allocates a global computational budget by alternating between the two processes, ensuring the discovery and efficient exploitation of disjoint reward areas. SERENE returns both a collection of diverse solutions covering the search space and a collection of high-performing solutions for each distinct reward area. We evaluate SERENE on various sparse reward environments and show it compares favorably to existing baselines.

While recent advances in artificial intelligence have achieved human-level performance in environments like Starcraft and Go, many physical reasoning tasks remain challenging for modern algorithms. To date, few algorithms have been evaluated on physical tasks that involve manipulating objects when movable obstacles are present and when tools must be used to perform the manipulation. To promote research on such tasks, we introduce PushWorld, an environment with simplistic physics that requires manipulation planning with both movable obstacles and tools. We provide a benchmark of more than 200 PushWorld puzzles in PDDL and in an OpenAI Gym environment. We evaluate state-of-the-art classical planning and reinforcement learning algorithms on this benchmark, and we find that these baseline results are below human-level performance. We then provide a new classical planning heuristic that solves the most puzzles among the baselines, and although it is 40 times faster than the best baseline planner, it remains below human-level performance.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample complexity) if its individual components align well with the target algorithm. Specifically, GNNs are claimed to align with dynamic programming (DP), a general problem-solving strategy which expresses many polynomial-time algorithms. However, has this alignment truly been demonstrated and theoretically quantified? Here we show, using methods from category theory and abstract algebra, that there exists an intricate connection between GNNs and DP, going well beyond the initial observations over individual algorithms such as Bellman-Ford. Exposing this connection, we easily verify several prior findings in the literature, produce better-grounded GNN architectures for edge-centric tasks, and demonstrate empirical results on the CLRS algorithmic reasoning benchmark. We hope our exposition will serve as a foundation for building stronger algorithmically aligned GNNs.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

We study the problem of (learning) algorithm comparison, where the goal is to find differences between models trained with two different learning algorithms. We begin by formalizing this goal as one of finding distinguishing feature transformations, i.e., input transformations that change the predictions of models trained with one learning algorithm but not the other. We then present ModelDiff, a method that leverages the datamodels framework (Ilyas et al., 2022) to compare learning algorithms based on how they use their training data. We demonstrate ModelDiff through three case studies, comparing models trained with/without data augmentation, with/without pre-training, and with different SGD hyperparameters. Our code is available at https://github.com/MadryLab/modeldiff .

We propose a general two-stage algorithm that enjoys a provable scaling law for the test-time compute of large language models (LLMs). Given an input problem, the proposed algorithm first generates N candidate solutions, and then chooses the best one via a multiple-round knockout tournament where each pair of candidates are compared for K times and only the winners move on to the next round. In a minimalistic implementation, both stages can be executed with a black-box LLM alone and nothing else (e.g., no external verifier or reward model), and a total of N times (K + 1) highly parallelizable LLM calls are needed for solving an input problem. Assuming that a generated candidate solution is correct with probability p_{gen} > 0 and a comparison between a pair of correct and incorrect solutions identifies the right winner with probability p_{comp} > 0.5 (i.e., better than a random guess), we prove theoretically that the failure probability of the proposed algorithm decays to zero exponentially with respect to N and K: $P(final output is incorrect) le (1 - p_{gen})^N + lceil log_2 N rceil e^{-2 K (p_{comp} - 0.5)^2}.$ Our empirical results with the challenging MMLU-Pro benchmark validate the technical assumptions, as well as the efficacy of the proposed algorithm and the gains from scaling up its test-time compute.

In the past decade, advances in deep learning have resulted in breakthroughs in a variety of areas, including computer vision, natural language understanding, speech recognition, and reinforcement learning. Specialized, high-performing neural architectures are crucial to the success of deep learning in these areas. Neural architecture search (NAS), the process of automating the design of neural architectures for a given task, is an inevitable next step in automating machine learning and has already outpaced the best human-designed architectures on many tasks. In the past few years, research in NAS has been progressing rapidly, with over 1000 papers released since 2020 (Deng and Lindauer, 2021). In this survey, we provide an organized and comprehensive guide to neural architecture search. We give a taxonomy of search spaces, algorithms, and speedup techniques, and we discuss resources such as benchmarks, best practices, other surveys, and open-source libraries.

Modern machine learning algorithms crucially rely on several design decisions to achieve strong performance, making the problem of Hyperparameter Optimization (HPO) more important than ever. Here, we combine the advantages of the popular bandit-based HPO method Hyperband (HB) and the evolutionary search approach of Differential Evolution (DE) to yield a new HPO method which we call DEHB. Comprehensive results on a very broad range of HPO problems, as well as a wide range of tabular benchmarks from neural architecture search, demonstrate that DEHB achieves strong performance far more robustly than all previous HPO methods we are aware of, especially for high-dimensional problems with discrete input dimensions. For example, DEHB is up to 1000x faster than random search. It is also efficient in computational time, conceptually simple and easy to implement, positioning it well to become a new default HPO method.

We introduce a new balanced assignment of experts (BASE) layer for large language models that greatly simplifies existing high capacity sparse layers. Sparse layers can dramatically improve the efficiency of training and inference by routing each token to specialized expert modules that contain only a small fraction of the model parameters. However, it can be difficult to learn balanced routing functions that make full use of the available experts; existing approaches typically use routing heuristics or auxiliary expert-balancing loss functions. In contrast, we formulate token-to-expert allocation as a linear assignment problem, allowing an optimal assignment in which each expert receives an equal number of tokens. This optimal assignment scheme improves efficiency by guaranteeing balanced compute loads, and also simplifies training by not requiring any new hyperparameters or auxiliary losses. Code is publicly released at https://github.com/pytorch/fairseq/

We present a novel approach to formalise and solve search-based problems using large language models, which significantly improves upon previous state-of-the-art results. We demonstrate the efficacy of this approach on the logic puzzles benchmark ZebraLogicBench. Instead of letting the LLM attempt to directly solve the puzzles, our method prompts the model to formalise the problem in a logic-focused domain-specific language (DSL) called Logic.py. This formalised representation is then solved using a constraint solver, leveraging the strengths of both the language model and the solver. Our approach achieves a remarkable 65% absolute improvement over the baseline performance of Llama 3.1 70B on ZebraLogicBench, setting a new state-of-the-art with an accuracy of over 90%. This significant advancement demonstrates the potential of combining language models with domain-specific languages and auxiliary tools on traditionally challenging tasks for LLMs.

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.