Daily Papers

Autoregressive large language models achieve strong results on many benchmarks, but decoding remains fundamentally latency-limited by sequential dependence on previously generated tokens. Diffusion language models (DLMs) promise parallel generation but suffer from a fundamental static-to-dynamic misalignment: Training optimizes local transitions under fixed schedules, whereas efficient inference requires adaptive "long-jump" refinements through unseen states. Our goal is to enable highly parallel decoding for DLMs with low number of function evaluations while preserving generation quality. To achieve this, we propose CD4LM, a framework that decouples training from inference via Discrete-Space Consistency Distillation (DSCD) and Confidence-Adaptive Decoding (CAD). Unlike standard objectives, DSCD trains a student to be trajectory-invariant, mapping diverse noisy states directly to the clean distribution. This intrinsic robustness enables CAD to dynamically allocate compute resources based on token confidence, aggressively skipping steps without the quality collapse typical of heuristic acceleration. On GSM8K, CD4LM matches the LLaDA baseline with a 5.18x wall-clock speedup; across code and math benchmarks, it strictly dominates the accuracy-efficiency Pareto frontier, achieving a 3.62x mean speedup while improving average accuracy. Code is available at https://github.com/yihao-liang/CDLM

Large Language Models (LLMs) have demonstrated exceptional performance in natural language processing tasks, yet their massive size makes serving them inefficient and costly. Semi-structured pruning has emerged as an effective method for model acceleration, but existing approaches are suboptimal because they focus on local, layer-wise optimizations using heuristic rules, failing to leverage global feedback. We present ProxSparse, a learning-based framework for mask selection enabled by regularized optimization. ProxSparse transforms the rigid, non-differentiable mask selection process into a smoother optimization procedure, allowing gradual mask exploration with flexibility. ProxSparse does not involve additional weight updates once the mask is determined. Our extensive evaluations on 7 widely used models show that ProxSparse consistently outperforms previously proposed semi-structured mask selection methods with significant improvement, demonstrating the effectiveness of our learned approach towards semi-structured pruning.

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

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.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

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.

Tackling complex optimization problems often relies on expert-designed heuristics, typically crafted through extensive trial and error. Recent advances demonstrate that large language models (LLMs), when integrated into well-designed evolutionary search frameworks, can autonomously discover high-performing heuristics at a fraction of the traditional cost. However, existing approaches predominantly rely on verbal guidance, i.e., manipulating the prompt generation process, to steer the evolution of heuristics, without adapting the underlying LLM. We propose a hybrid framework that combines verbal and numerical guidance, the latter achieved by fine-tuning the LLM via reinforcement learning based on the quality of generated heuristics. This joint optimization allows the LLM to co-evolve with the search process. Our method outperforms state-of-the-art (SOTA) baselines across various optimization tasks, running locally on a single 24GB GPU using a 7B model with INT4 quantization. It surpasses methods that rely solely on verbal guidance, even when those use significantly more powerful API-based models.

While Large Language Models (LLMs) have demonstrated significant advancements in reasoning and agent-based problem-solving, current evaluation methodologies fail to adequately assess their capabilities: existing benchmarks either rely on closed-ended questions prone to saturation and memorization, or subjective comparisons that lack consistency and rigor. In this work, we introduce HeuriGym, an agentic framework designed for evaluating heuristic algorithms generated by LLMs for combinatorial optimization problems, characterized by clearly defined objectives and expansive solution spaces. HeuriGym empowers LLMs to propose heuristics, receive evaluative feedback via code execution, and iteratively refine their solutions. We evaluate nine state-of-the-art models on nine problems across domains such as computer systems, logistics, and biology, exposing persistent limitations in tool use, planning, and adaptive reasoning. To quantify performance, we propose the Quality-Yield Index (QYI), a metric that captures both solution pass rate and quality. Even top models like GPT-o4-mini-high and Gemini-2.5-Pro attain QYI scores of only 0.6, well below the expert baseline of 1. Our open-source benchmark aims to guide the development of LLMs toward more effective and realistic problem-solving in scientific and engineering domains.

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.

Bundle adjustment is the common way to solve localization and mapping. It is an iterative process in which a system of non-linear equations is solved using two optimization methods, weighted by a damping factor. In the classic approach, the latter is chosen heuristically by the Levenberg-Marquardt algorithm on each iteration. This might take many iterations, making the process computationally expensive, which might be harmful to real-time applications. We propose to replace this heuristic by viewing the problem in a holistic manner, as a game, and formulating it as a reinforcement-learning task. We set an environment which solves the non-linear equations and train an agent to choose the damping factor in a learned manner. We demonstrate that our approach considerably reduces the number of iterations required to reach the bundle adjustment's convergence, on both synthetic and real-life scenarios. We show that this reduction benefits the classic approach and can be integrated with other bundle adjustment acceleration methods.

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.

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.

Trajectory planning is commonly used as part of a local planner in autonomous driving. This paper considers the problem of planning a continuous-curvature-rate trajectory between fixed start and goal states that minimizes a tunable trade-off between passenger comfort and travel time. The problem is an instance of infinite dimensional optimization over two continuous functions: a path, and a velocity profile. We propose a simplification of this problem that facilitates the discretization of both functions. This paper also proposes a method to quickly generate minimal-length paths between start and goal states based on a single tuning parameter: the second derivative of curvature. Furthermore, we discretize the set of velocity profiles along a given path into a selection of acceleration way-points along the path. Gradient-descent is then employed to minimize cost over feasible choices of the second derivative of curvature, and acceleration way-points, resulting in a method that repeatedly solves the path and velocity profiles in an iterative fashion. Numerical examples are provided to illustrate the benefits of the proposed methods.

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.

The deployment of large-scale models, such as large language models (LLMs) and sophisticated image generation systems, incurs substantial costs due to their computational demands. To mitigate these costs and address challenges related to scalability and data security, there is a growing shift towards decentralized systems for deploying such models. In these decentralized environments, efficient inference acceleration becomes crucial to manage computational resources effectively and enhance system responsiveness. In this work, we address the challenge of selecting optimal acceleration methods in decentralized systems by introducing a meta-learning-based framework. This framework automates the selection process by learning from historical performance data of various acceleration techniques across different tasks. Unlike traditional methods that rely on random selection or expert intuition, our approach systematically identifies the best acceleration strategies based on the specific characteristics of each task. We demonstrate that our meta-learning framework not only streamlines the decision-making process but also consistently outperforms conventional methods in terms of efficiency and performance. Our results highlight the potential of meta-learning to revolutionize inference acceleration in decentralized AI systems, offering a path towards more democratic and economically feasible artificial intelligence solutions.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

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.

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.

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.

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

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.

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.

Despite their remarkable success in complex tasks propelling widespread adoption, large language-model-based agents still face critical deployment challenges due to prohibitive latency and inference costs. While recent work has explored various methods to accelerate inference, existing approaches suffer from significant limitations: they either fail to preserve performance fidelity, require extensive offline training of router modules, or incur excessive operational costs. Moreover, they provide minimal user control over the tradeoff between acceleration and other performance metrics. To address these gaps, we introduce Dynamic Speculative Planning (DSP), an asynchronous online reinforcement learning framework that provides lossless acceleration with substantially reduced costs without requiring additional pre-deployment preparation. DSP explicitly optimizes a joint objective balancing end-to-end latency against dollar cost, allowing practitioners to adjust a single parameter that steers the system toward faster responses, cheaper operation, or any point along this continuum. Experiments on two standard agent benchmarks demonstrate that DSP achieves comparable efficiency to the fastest lossless acceleration method while reducing total cost by 30% and unnecessary cost up to 60%. Our code and data are available through https://github.com/guanyilin428/Dynamic-Speculative-Planning.

In recent years, Reinforcement Learning (RL) has been applied to real-world problems with increasing success. Such applications often require to put constraints on the agent's behavior. Existing algorithms for constrained RL (CRL) rely on gradient descent-ascent, but this approach comes with a caveat. While these algorithms are guaranteed to converge on average, they do not guarantee last-iterate convergence, i.e., the current policy of the agent may never converge to the optimal solution. In practice, it is often observed that the policy alternates between satisfying the constraints and maximizing the reward, rarely accomplishing both objectives simultaneously. Here, we address this problem by introducing Reinforcement Learning with Optimistic Ascent-Descent (ReLOAD), a principled CRL method with guaranteed last-iterate convergence. We demonstrate its empirical effectiveness on a wide variety of CRL problems including discrete MDPs and continuous control. In the process we establish a benchmark of challenging CRL problems.

Iterative methods are ubiquitous in large-scale scientific computing applications, and a number of approaches based on meta-learning have been recently proposed to accelerate them. However, a systematic study of these approaches and how they differ from meta-learning is lacking. In this paper, we propose a framework to analyze such learning-based acceleration approaches, where one can immediately identify a departure from classical meta-learning. We show that this departure may lead to arbitrary deterioration of model performance. Based on our analysis, we introduce a novel training method for learning-based acceleration of iterative methods. Furthermore, we theoretically prove that the proposed method improves upon the existing methods, and demonstrate its significant advantage and versatility through various numerical applications.

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.

Our study contributes to the scheduling and combinatorial optimization literature with new heuristics discovered by leveraging the power of Large Language Models (LLMs). We focus on the single-machine total tardiness (SMTT) problem, which aims to minimize total tardiness by sequencing n jobs on a single processor without preemption, given processing times and due dates. We develop and benchmark two novel LLM-discovered heuristics, the EDD Challenger (EDDC) and MDD Challenger (MDDC), inspired by the well-known Earliest Due Date (EDD) and Modified Due Date (MDD) rules. In contrast to prior studies that employed simpler rule-based heuristics, we evaluate our LLM-discovered algorithms using rigorous criteria, including optimality gaps and solution time derived from a mixed-integer programming (MIP) formulation of SMTT. We compare their performance against state-of-the-art heuristics and exact methods across various job sizes (20, 100, 200, and 500 jobs). For instances with more than 100 jobs, exact methods such as MIP and dynamic programming become computationally intractable. Up to 500 jobs, EDDC improves upon the classic EDD rule and another widely used algorithm in the literature. MDDC consistently outperforms traditional heuristics and remains competitive with exact approaches, particularly on larger and more complex instances. This study shows that human-LLM collaboration can produce scalable, high-performing heuristics for NP-hard constrained combinatorial optimization, even under limited resources when effectively configured.

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

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.

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.

Episodic control provides a highly sample-efficient method for reinforcement learning while enforcing high memory and computational requirements. This work proposes a simple heuristic for reducing these requirements, and an application to Model-Free Episodic Control (MFEC) is presented. Experiments on Atari games show that this heuristic successfully reduces MFEC computational demands while producing no significant loss of performance when conservative choices of hyperparameters are used. Consequently, episodic control becomes a more feasible option when dealing with reinforcement learning tasks.

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.

Reinforcement Learning from Human Feedback (RLHF) has emerged as a pivotal tool for aligning large language models (LLMs) with human preferences. Direct Preference Optimization (DPO), one of the most popular approaches, formulates RLHF as a policy optimization problem without explicitly estimating the reward function. It overcomes the stability and efficiency issues of two-step approaches, which typically involve first estimating the reward function and then optimizing the policy via proximal policy optimization (PPO). Since RLHF is essentially an optimization problem, and it is well-known that momentum techniques can accelerate optimization both theoretically and empirically, a natural question arises: Can RLHF be accelerated by momentum? This paper answers this question in the affirmative. In detail, we first show that the iterative preference optimization method can be viewed as a proximal point method. Based on this observation, we propose a general Accelerated Preference Optimization (APO) framework, which unifies many existing preference optimization algorithms and employs Nesterov's momentum technique to speed up the alignment of LLMs. Theoretically, we demonstrate that APO can achieve a faster convergence rate than the standard iterative preference optimization methods, including DPO and Self-Play Preference Optimization (SPPO). Empirically, we show the superiority of APO over DPO, iterative DPO, and other strong baselines for RLHF on the AlpacaEval 2.0 benchmark.

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

Large language model (LLM) agents exhibit strong mathematical problem-solving abilities and can even solve International Mathematical Olympiad (IMO) level problems with the assistance of formal proof systems. However, due to weak heuristics for auxiliary constructions, AI for geometry problem solving remains dominated by expert models such as AlphaGeometry 2, which rely heavily on large-scale data synthesis and search for both training and evaluation. In this work, we make the first attempt to build a medalist-level LLM agent for geometry and present InternGeometry. InternGeometry overcomes the heuristic limitations in geometry by iteratively proposing propositions and auxiliary constructions, verifying them with a symbolic engine, and reflecting on the engine's feedback to guide subsequent proposals. A dynamic memory mechanism enables InternGeometry to conduct more than two hundred interactions with the symbolic engine per problem. To further accelerate learning, we introduce Complexity-Boosting Reinforcement Learning (CBRL), which gradually increases the complexity of synthesized problems across training stages. Built on InternThinker-32B, InternGeometry solves 44 of 50 IMO geometry problems (2000-2024), exceeding the average gold medalist score (40.9), using only 13K training examples, just 0.004% of the data used by AlphaGeometry 2, demonstrating the potential of LLM agents on expert-level geometry tasks. InternGeometry can also propose novel auxiliary constructions for IMO problems that do not appear in human solutions. We will release the model, data, and symbolic engine to support future research.

Realistic environments often provide agents with very limited feedback. When the environment is initially unknown, the feedback, in the beginning, can be completely absent, and the agents may first choose to devote all their effort on exploring efficiently. The exploration remains a challenge while it has been addressed with many hand-tuned heuristics with different levels of generality on one side, and a few theoretically-backed exploration strategies on the other. Many of them are incarnated by intrinsic motivation and in particular explorations bonuses. A common rule of thumb for exploration bonuses is to use 1/n bonus that is added to the empirical estimates of the reward, where n is a number of times this particular state (or a state-action pair) was visited. We show that, surprisingly, for a pure-exploration objective of reward-free exploration, bonuses that scale with 1/n bring faster learning rates, improving the known upper bounds with respect to the dependence on the horizon H. Furthermore, we show that with an improved analysis of the stopping time, we can improve by a factor H the sample complexity in the best-policy identification setting, which is another pure-exploration objective, where the environment provides rewards but the agent is not penalized for its behavior during the exploration phase.

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

Large Language Models (LLMs) increasingly rely on reinforcement learning with verifiable rewards (RLVR) to elicit reliable chain-of-thought reasoning. However, the training process remains bottlenecked by the computationally expensive rollout stage. Existing acceleration methods-such as parallelization, objective- and data-driven modifications, and replay buffers-either incur diminishing returns, introduce bias, or overlook redundancy across iterations. We identify that rollouts from consecutive training epochs frequently share a large portion of overlapping segments, wasting computation. To address this, we propose SPEC-RL, a novel framework that integrates SPECulative decoding with the RL rollout process. SPEC-RL reuses prior trajectory segments as speculative prefixes and extends them via a draft-and-verify mechanism, avoiding redundant generation while ensuring policy consistency. Experiments on diverse math reasoning and generalization benchmarks, including GSM8K, MATH-500, OlympiadBench, MMLU-STEM, and others, demonstrate that SPEC-RL reduces rollout time by 2-3x without compromising policy quality. As a purely rollout-stage enhancement, SPEC-RL integrates seamlessly with mainstream algorithms (e.g., PPO, GRPO, DAPO), offering a general and practical path to scale RLVR for large reasoning models. Our code is available at https://github.com/ShopeeLLM/Spec-RL

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.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

We prove new convergence rates for a generalized version of stochastic Nesterov acceleration under interpolation conditions. Unlike previous analyses, our approach accelerates any stochastic gradient method which makes sufficient progress in expectation. The proof, which proceeds using the estimating sequences framework, applies to both convex and strongly convex functions and is easily specialized to accelerated SGD under the strong growth condition. In this special case, our analysis reduces the dependence on the strong growth constant from rho to rho as compared to prior work. This improvement is comparable to a square-root of the condition number in the worst case and address criticism that guarantees for stochastic acceleration could be worse than those for SGD.

This paper explores the problem of collision-free motion generation for manipulators by formulating it as a global motion optimization problem. We develop a parallel optimization technique to solve this problem and demonstrate its effectiveness on massively parallel GPUs. We show that combining simple optimization techniques with many parallel seeds leads to solving difficult motion generation problems within 50ms on average, 60x faster than state-of-the-art (SOTA) trajectory optimization methods. We achieve SOTA performance by combining L-BFGS step direction estimation with a novel parallel noisy line search scheme and a particle-based optimization solver. To further aid trajectory optimization, we develop a parallel geometric planner that plans within 20ms and also introduce a collision-free IK solver that can solve over 7000 queries/s. We package our contributions into a state of the art GPU accelerated motion generation library, cuRobo and release it to enrich the robotics community. Additional details are available at https://curobo.org

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.

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

The increasing complexity of machine learning models and the proliferation of diverse hardware architectures (CPUs, GPUs, accelerators) make achieving optimal performance a significant challenge. Heterogeneity in instruction sets, specialized kernel requirements for different data types and model features (e.g., sparsity, quantization), and architecture-specific optimizations complicate performance tuning. Manual optimization is resource-intensive, while existing automatic approaches often rely on complex hardware-specific heuristics and uninterpretable intermediate representations, hindering performance portability. We introduce PerfLLM, a novel automatic optimization methodology leveraging Large Language Models (LLMs) and Reinforcement Learning (RL). Central to this is PerfDojo, an environment framing optimization as an RL game using a human-readable, mathematically-inspired code representation that guarantees semantic validity through transformations. This allows effective optimization without prior hardware knowledge, facilitating both human analysis and RL agent training. We demonstrate PerfLLM's ability to achieve significant performance gains across diverse CPU (x86, Arm, RISC-V) and GPU architectures.

Greedy search methods like Greedy Best-First Search (GBFS) and Enforced Hill-Climbing (EHC) often struggle when faced with Uninformed Heuristic Regions (UHRs) like heuristic local minima or plateaus. In this work, we theoretically and empirically compare two popular methods for escaping UHRs in breadth-first search (BrFS) and restarting random walks (RRWs). We first derive the expected runtime of escaping a UHR using BrFS and RRWs, based on properties of the UHR and the random walk procedure, and then use these results to identify when RRWs will be faster in expectation than BrFS. We then evaluate these methods for escaping UHRs by comparing standard EHC, which uses BrFS to escape UHRs, to variants of EHC called EHC-RRW, which use RRWs for that purpose. EHC-RRW is shown to have strong expected runtime guarantees in cases where EHC has previously been shown to be effective. We also run experiments with these approaches on PDDL planning benchmarks to better understand their relative effectiveness for escaping UHRs.

Existing acceleration techniques for video diffusion models often rely on uniform heuristics or time-embedding variants to skip timesteps and reuse cached features. These approaches typically require extensive calibration with curated prompts and risk inconsistent outputs due to prompt-specific overfitting. In this paper, we introduce a novel and robust discovery: a unified magnitude law observed across different models and prompts. Specifically, the magnitude ratio of successive residual outputs decreases monotonically and steadily in most timesteps while rapidly in the last several steps. Leveraging this insight, we introduce a Magnitude-aware Cache (MagCache) that adaptively skips unimportant timesteps using an error modeling mechanism and adaptive caching strategy. Unlike existing methods requiring dozens of curated samples for calibration, MagCache only requires a single sample for calibration. Experimental results show that MagCache achieves 2.1x and 2.68x speedups on Open-Sora and Wan 2.1, respectively, while preserving superior visual fidelity. It significantly outperforms existing methods in LPIPS, SSIM, and PSNR, under comparable computational budgets.

With the rapid advancement of multimodal large language models (MLLMs), concerns regarding their security have increasingly captured the attention of both academia and industry. Although MLLMs are vulnerable to jailbreak attacks, designing effective multimodal jailbreak attacks poses unique challenges, especially given the distinct protective measures implemented across various modalities in commercial models. Previous works concentrate risks into a single modality, resulting in limited jailbreak performance. In this paper, we propose a heuristic-induced multimodal risk distribution jailbreak attack method, called HIMRD, which consists of two elements: multimodal risk distribution strategy and heuristic-induced search strategy. The multimodal risk distribution strategy is used to segment harmful instructions across multiple modalities to effectively circumvent MLLMs' security protection. The heuristic-induced search strategy identifies two types of prompts: the understanding-enhancing prompt, which helps the MLLM reconstruct the malicious prompt, and the inducing prompt, which increases the likelihood of affirmative outputs over refusals, enabling a successful jailbreak attack. Extensive experiments demonstrate that this approach effectively uncovers vulnerabilities in MLLMs, achieving an average attack success rate of 90% across seven popular open-source MLLMs and an average attack success rate of around 68% in three popular closed-source MLLMs. Our code will coming soon. Warning: This paper contains offensive and harmful examples, reader discretion is advised.

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.

Pre-trained language models (PLMs) have shown impressive performance in various language tasks. However, they are prone to spurious correlations, and often generate illusory information. In real-world applications, PLMs should justify decisions with formalized, coherent reasoning chains, but this challenge remains under-explored. Cognitive psychology theorizes that humans are capable of utilizing fast and intuitive heuristic thinking to make decisions based on past experience, then rationalizing the decisions through slower and deliberative analytic reasoning. We incorporate these interlinked dual processes in fine-tuning and in-context learning with PLMs, applying them to two language understanding tasks that require coherent physical commonsense reasoning. We show that our proposed Heuristic-Analytic Reasoning (HAR) strategies drastically improve the coherence of rationalizations for model decisions, yielding state-of-the-art results on Tiered Reasoning for Intuitive Physics (TRIP). We also find that this improved coherence is a direct result of more faithful attention to relevant language context in each step of reasoning. Our findings suggest that human-like reasoning strategies can effectively improve the coherence and reliability of PLM reasoning.

The deployment of pre-trained perception models in novel environments often leads to performance degradation due to distributional shifts. Although recent artificial intelligence approaches for metacognition use logical rules to characterize and filter model errors, improving precision often comes at the cost of reduced recall. This paper addresses the hypothesis that leveraging multiple pre-trained models can mitigate this recall reduction. We formulate the challenge of identifying and managing conflicting predictions from various models as a consistency-based abduction problem. The input predictions and the learned error detection rules derived from each model are encoded in a logic program. We then seek an abductive explanation--a subset of model predictions--that maximizes prediction coverage while ensuring the rate of logical inconsistencies (derived from domain constraints) remains below a specified threshold. We propose two algorithms for this knowledge representation task: an exact method based on Integer Programming (IP) and an efficient Heuristic Search (HS). Through extensive experiments on a simulated aerial imagery dataset featuring controlled, complex distributional shifts, we demonstrate that our abduction-based framework outperforms individual models and standard ensemble baselines, achieving, for instance, average relative improvements of approximately 13.6% in F1-score and 16.6% in accuracy across 15 diverse test datasets when compared to the best individual model. Our results validate the use of consistency-based abduction as an effective mechanism to robustly integrate knowledge from multiple imperfect reasoners in challenging, novel scenarios.

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".

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.

Mixture of experts (MoE) models achieve state-of-the-art results in language modeling but suffer from inefficient hardware utilization due to imbalanced token routing and communication overhead. While prior work has focused on optimizing MoE training and decoder architectures, inference for encoder-based MoE models in a multi-GPU with expert parallelism setting remains underexplored. We introduce MoEShard, an inference system that achieves perfect load balancing through tensor sharding of MoE experts. Unlike existing approaches that rely on heuristic capacity factors or drop tokens, MoEShard evenly distributes computation across GPUs and ensures full token retention, maximizing utilization regardless of routing skewness. We achieve this through a strategic row- and column-wise decomposition of expert matrices. This reduces idle time and avoids bottlenecks caused by imbalanced expert assignments. Furthermore, MoEShard minimizes kernel launches by fusing decomposed expert computations, significantly improving throughput. We evaluate MoEShard against DeepSpeed on encoder-based architectures, demonstrating speedups of up to 6.4times in time to first token (TTFT). Our results show that tensor sharding, when properly applied to experts, is a viable and effective strategy for efficient MoE inference.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.33% of the time, while achieving a 1331x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 85,658 unique configurations.

Early exiting has recently emerged as a promising technique for accelerating large language models (LLMs) by effectively reducing the hardware computation and memory access. In this paper, we present SpecEE, a fast LLM inference engine with speculative early exiting. (1) At the algorithm level, we propose the speculation-based lightweight predictor design by exploiting the probabilistic correlation between the speculative tokens and the correct results and high parallelism of GPUs. (2) At the system level, we point out that not all layers need a predictor and design the two-level heuristic predictor scheduling engine based on skewed distribution and contextual similarity. (3) At the mapping level, we point out that different decoding methods share the same essential characteristics, and propose the context-aware merged mapping for predictor with efficient GPU implementations to support speculative decoding, and form a framework for various existing orthogonal acceleration techniques (e.g., quantization and sparse activation) on cloud and personal computer (PC) scenarios, successfully pushing the Pareto frontier of accuracy and speedup. It is worth noting that SpecEE can be applied to any LLM by negligible training overhead in advance without affecting the model original parameters. Extensive experiments show that SpecEE achieves 2.25x and 2.43x speedup with Llama2-7B on cloud and PC scenarios respectively.

Model compression is a critical technique to efficiently deploy neural network models on mobile devices which have limited computation resources and tight power budgets. Conventional model compression techniques rely on hand-crafted heuristics and rule-based policies that require domain experts to explore the large design space trading off among model size, speed, and accuracy, which is usually sub-optimal and time-consuming. In this paper, we propose AutoML for Model Compression (AMC) which leverage reinforcement learning to provide the model compression policy. This learning-based compression policy outperforms conventional rule-based compression policy by having higher compression ratio, better preserving the accuracy and freeing human labor. Under 4x FLOPs reduction, we achieved 2.7% better accuracy than the handcrafted model compression policy for VGG-16 on ImageNet. We applied this automated, push-the-button compression pipeline to MobileNet and achieved 1.81x speedup of measured inference latency on an Android phone and 1.43x speedup on the Titan XP GPU, with only 0.1% loss of ImageNet Top-1 accuracy.

Machine learning, the foundation of modern artificial intelligence, has driven innovations that have fundamentally transformed the world. Yet, behind advancements lies a complex and often tedious process requiring labor and compute intensive iteration and experimentation. Engineers and scientists developing machine learning models spend much of their time on trial-and-error tasks instead of conceptualizing innovative solutions or research hypotheses. To address this challenge, we introduce AI-Driven Exploration (AIDE), a machine learning engineering agent powered by large language models (LLMs). AIDE frames machine learning engineering as a code optimization problem, and formulates trial-and-error as a tree search in the space of potential solutions. By strategically reusing and refining promising solutions, AIDE effectively trades computational resources for enhanced performance, achieving state-of-the-art results on multiple machine learning engineering benchmarks, including our Kaggle evaluations, OpenAI MLE-Bench and METRs RE-Bench.

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.

Multi-turn dialogues are essential in many real-world applications of large language models, such as chatbots and virtual assistants. As conversation histories become longer, existing large language models face increasing computational and memory challenges, which hinder their ability to provide efficient and responsive interactions. Most current acceleration methods either compress the context or optimize key value caching, but they often rely on fixed or position-based heuristics that do not adapt well to the dynamic and unpredictable patterns found in actual multi-turn conversations. In this paper, we present LoopServe, an adaptive dual-phase inference acceleration framework for large language models in multi-turn dialogues. LoopServe introduces two main innovations. First, it performs online sparsification during the prefilling phase by dynamically selecting the most important parts of the attention matrix for each new input. Second, it uses progressive key value compression during decoding by adaptively maintaining a relevant and efficient cache based on the most recently generated output tokens. We also propose a https://huggingface.co/datasets/TreeAILab/Multi-turn_Long-context_Benchmark_for_LLMs{new benchmark} with eleven multi-turn datasets that reflect realistic query positions and conversational dependencies. Extensive experiments demonstrate that LoopServe consistently achieves superior effectiveness compared to existing baselines and significantly accelerates LLM inference across a wide range of long-context dialogue tasks.

Recently, Test-Time Scaling (TTS) has gained increasing attention for improving LLM reasoning performance at test time without retraining the model. A notable TTS technique is Self-Consistency (SC), which generates multiple reasoning chains in parallel and selects the final answer via majority voting. While effective, the order-of-magnitude computational overhead limits its broad deployment. Prior attempts to accelerate SC mainly rely on model-based confidence scores or heuristics with limited empirical support. For the first time, we theoretically and empirically analyze the inefficiencies of SC and reveal actionable opportunities for improvement. Building on these insights, we propose Slim-SC, a step-wise pruning strategy that identifies and removes redundant chains using inter-chain similarity at the thought level. Experiments on three STEM reasoning datasets and two recent LLM architectures show that Slim-SC reduces inference latency and KVC usage by up to 45% and 26%, respectively, with R1-Distill, while maintaining or improving accuracy, thus offering a simple yet efficient TTS alternative for SC.

Reinforcement Learning from Human Feedback (RLHF) stands as a pivotal technique in empowering large language model (LLM) applications. Since RLHF involves diverse computational workloads and intricate dependencies among multiple LLMs, directly adopting parallelization techniques from supervised training can result in sub-optimal performance. To overcome this limitation, we propose a novel approach named parameter ReaLlocation, which dynamically redistributes LLM parameters in the cluster and adapts parallelization strategies during training. Building upon this idea, we introduce ReaLHF, a pioneering system capable of automatically discovering and running efficient execution plans for RLHF training given the desired algorithmic and hardware configurations. ReaLHF formulates the execution plan for RLHF as an augmented dataflow graph. Based on this formulation, ReaLHF employs a tailored search algorithm with a lightweight cost estimator to discover an efficient execution plan. Subsequently, the runtime engine deploys the selected plan by effectively parallelizing computations and redistributing parameters. We evaluate ReaLHF on the LLaMA-2 models with up to 4times70 billion parameters and 128 GPUs. The experiment results showcase ReaLHF's substantial speedups of 2.0-10.6times compared to baselines. Furthermore, the execution plans generated by ReaLHF exhibit an average of 26% performance improvement over heuristic approaches based on Megatron-LM. The source code of ReaLHF is publicly available at https://github.com/openpsi-project/ReaLHF .

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.

The exploration-exploitation (EE) trade-off is a central challenge in reinforcement learning (RL) for large language models (LLMs). With Group Relative Policy Optimization (GRPO), training tends to be exploitation driven: entropy decreases monotonically, samples convergence, and exploration fades. Most existing fixes are sample-centric: they seek or bonus rare samples, assuming exploration comes from novel trajectories and tokens. These heuristics depend on the "luck" of informative samples, lack principled control of the policy, and often yield limited or inconsistent gains. In this work, we are the first to introduce a distribution-centric perspective for RL, in which exploration is always guided by a "better" target distribution, and reveal that a policy's ability to resist entropy collapse is governed by the distribution itself rather than individual samples. Building on this insight, we propose Distribution-Centric Policy Optimization (DCPO), which reformulates entropy regulation as distribution-level regularization. DCPO achieves controllable entropy fully on-policy without sampling from external distributions, enabling efficient exploration while maintaining training stability. Across multiple models and seven benchmarks, DCPO improves over GRPO by about 20\% on average. Overall, DCPO replaces sample-level heuristics with distribution-level principles, offering a theoretically grounded and flexible framework for controllable exploration and a stronger EE trade-off. The code is available in https://github.com/597358816/DCPO.

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.

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.

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}

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

Reinforcement Learning (RL) has proven highly effective at enhancing the complex reasoning abilities of Large Language Models (LLMs), yet underlying mechanisms driving this success remain largely opaque. Our analysis reveals that puzzling phenomena like ``aha moments", ``length-scaling'' and entropy dynamics are not disparate occurrences but hallmarks of an emergent reasoning hierarchy, akin to the separation of high-level strategic planning from low-level procedural execution in human cognition. We uncover a compelling two-phase dynamic: initially, a model is constrained by procedural correctness and must improve its low-level skills. The learning bottleneck then decisively shifts, with performance gains being driven by the exploration and mastery of high-level strategic planning. This insight exposes a core inefficiency in prevailing RL algorithms like GRPO, which apply optimization pressure agnostically and dilute the learning signal across all tokens. To address this, we propose HIerarchy-Aware Credit Assignment (HICRA), an algorithm that concentrates optimization efforts on high-impact planning tokens. HICRA significantly outperforms strong baselines, demonstrating that focusing on this strategic bottleneck is key to unlocking advanced reasoning. Furthermore, we validate semantic entropy as a superior compass for measuring strategic exploration over misleading metrics such as token-level entropy.

Large Language Models (LLMs) have made remarkable progress in mathematical reasoning, but still continue to struggle with high-precision tasks like numerical computation and formal symbolic manipulation. Integrating external tools has emerged as a promising approach to bridge this gap. Despite recent advances, existing methods struggle with three key challenges: constructing tool-integrated reasoning data, performing fine-grained optimization, and enhancing inference. To overcome these limitations, we propose THOR (Tool-Integrated Hierarchical Optimization via RL). First, we introduce TIRGen, a multi-agent actor-critic-based pipeline for constructing high-quality datasets of tool-integrated reasoning paths, aligning with the policy and generalizing well across diverse models. Second, to perform fine-grained hierarchical optimization, we introduce an RL strategy that jointly optimizes for both trajectory-level problem solving and step-level code generation. This is motivated by our key insight that the success of an intermediate tool call is a strong predictor of the final answer's correctness. Finally, THOR incorporates a self-correction mechanism that leverages immediate tool feedback to dynamically revise erroneous reasoning paths during inference. Our approach demonstrates strong generalization across diverse models, performing effectively in both reasoning and non-reasoning models. It further achieves state-of-the-art performance for models of a similar scale on multiple mathematical benchmarks, while also delivering consistent improvements on code benchmarks. Our code will be publicly available at https://github.com/JingMog/THOR.

We study the problem of planning under model uncertainty in an online meta-reinforcement learning (RL) setting where an agent is presented with a sequence of related tasks with limited interactions per task. The agent can use its experience in each task and across tasks to estimate both the transition model and the distribution over tasks. We propose an algorithm to meta-learn the underlying structure across tasks, utilize it to plan in each task, and upper-bound the regret of the planning loss. Our bound suggests that the average regret over tasks decreases as the number of tasks increases and as the tasks are more similar. In the classical single-task setting, it is known that the planning horizon should depend on the estimated model's accuracy, that is, on the number of samples within task. We generalize this finding to meta-RL and study this dependence of planning horizons on the number of tasks. Based on our theoretical findings, we derive heuristics for selecting slowly increasing discount factors, and we validate its significance empirically.

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.

We introduce a unified framework for iterative reasoning that leverages non-Euclidean geometry via Bregman divergences, higher-order operator averaging, and adaptive feedback mechanisms. Our analysis establishes that, under mild smoothness and contractivity assumptions, a generalized update scheme not only unifies classical methods such as mirror descent and dynamic programming but also captures modern chain-of-thought reasoning processes in large language models. In particular, we prove that our accelerated iterative update achieves an O(1/t^2) convergence rate in the absence of persistent perturbations, and we further demonstrate that feedback (iterative) architectures are necessary to approximate certain fixed-point functions efficiently. These theoretical insights bridge classical acceleration techniques with contemporary applications in neural computation and optimization.

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks, their problem-solving process, i.e., agents' interaction trajectory leading to task completion, remains underexploited. These trajectories contain rich feedback that can navigate agents toward the right directions for solving problems correctly. Although prevailing approaches, such as Monte Carlo Tree Search (MCTS), can effectively balance exploration and exploitation, they ignore the interdependence among various trajectories and lack the diversity of search spaces, which leads to redundant reasoning and suboptimal outcomes. To address these challenges, we propose SE-Agent, a Self-Evolution framework that enables Agents to optimize their reasoning processes iteratively. Our approach revisits and enhances former pilot trajectories through three key operations: revision, recombination, and refinement. This evolutionary mechanism enables two critical advantages: (1) it expands the search space beyond local optima by intelligently exploring diverse solution paths guided by previous trajectories, and (2) it leverages cross-trajectory inspiration to efficiently enhance performance while mitigating the impact of suboptimal reasoning paths. Through these mechanisms, SE-Agent achieves continuous self-evolution that incrementally improves reasoning quality. We evaluate SE-Agent on SWE-bench Verified to resolve real-world GitHub issues. Experimental results across five strong LLMs show that integrating SE-Agent delivers up to 55% relative improvement, achieving state-of-the-art performance among all open-source agents on SWE-bench Verified. Our code and demonstration materials are publicly available at https://github.com/JARVIS-Xs/SE-Agent.

Large Language Models (LLMs) have become integral components in various autonomous agent systems. In this study, we present an exploration-based trajectory optimization approach, referred to as ETO. This learning method is designed to enhance the performance of open LLM agents. Contrary to previous studies that exclusively train on successful expert trajectories, our method allows agents to learn from their exploration failures. This leads to improved performance through an iterative optimization framework. During the exploration phase, the agent interacts with the environment while completing given tasks, gathering failure trajectories to create contrastive trajectory pairs. In the subsequent training phase, the agent utilizes these trajectory preference pairs to update its policy using contrastive learning methods like DPO. This iterative cycle of exploration and training fosters continued improvement in the agents. Our experiments on three complex tasks demonstrate that ETO consistently surpasses baseline performance by a large margin. Furthermore, an examination of task-solving efficiency and potential in scenarios lacking expert trajectory underscores the effectiveness of our approach.

Large language models have demonstrated strong reasoning capabilities in complex tasks through tool integration, which is typically framed as a Markov Decision Process and optimized with trajectory-level RL algorithms such as GRPO. However, a common class of reasoning tasks, iterative optimization, presents distinct challenges: the agent interacts with the same underlying environment state across turns, and the value of a trajectory is determined by the best turn-level reward rather than cumulative returns. Existing GRPO-based methods cannot perform fine-grained, turn-level optimization in such settings, while black-box optimization methods discard prior knowledge and reasoning capabilities. To address this gap, we propose Turn-Level GRPO (TL-GRPO), a lightweight RL algorithm that performs turn-level group sampling for fine-grained optimization. We evaluate TL-GRPO on analog circuit sizing (ACS), a challenging scientific optimization task requiring multiple simulations and domain expertise. Results show that TL-GRPO outperforms standard GRPO and Bayesian optimization methods across various specifications. Furthermore, our 30B model trained with TL-GRPO achieves state-of-the-art performance on ACS tasks under same simulation budget, demonstrating both strong generalization and practical utility.

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.

Nesterov's accelerated gradient (AG) is a popular technique to optimize objective functions comprising two components: a convex loss and a penalty function. While AG methods perform well for convex penalties, such as the LASSO, convergence issues may arise when it is applied to nonconvex penalties, such as SCAD. A recent proposal generalizes Nesterov's AG method to the nonconvex setting. The proposed algorithm requires specification of several hyperparameters for its practical application. Aside from some general conditions, there is no explicit rule for selecting the hyperparameters, and how different selection can affect convergence of the algorithm. In this article, we propose a hyperparameter setting based on the complexity upper bound to accelerate convergence, and consider the application of this nonconvex AG algorithm to high-dimensional linear and logistic sparse learning problems. We further establish the rate of convergence and present a simple and useful bound to characterize our proposed optimal damping sequence. Simulation studies show that convergence can be made, on average, considerably faster than that of the conventional proximal gradient algorithm. Our experiments also show that the proposed method generally outperforms the current state-of-the-art methods in terms of signal recovery.

For continuous action spaces, actor-critic methods are widely used in online reinforcement learning (RL). However, unlike RL algorithms for discrete actions, which generally model the optimal value function using the Bellman optimality operator, RL algorithms for continuous actions typically model Q-values for the current policy using the Bellman operator. These algorithms for continuous actions rely exclusively on policy updates for improvement, which often results in low sample efficiency. This study examines the effectiveness of incorporating the Bellman optimality operator into actor-critic frameworks. Experiments in a simple environment show that modeling optimal values accelerates learning but leads to overestimation bias. To address this, we propose an annealing approach that gradually transitions from the Bellman optimality operator to the Bellman operator, thereby accelerating learning while mitigating bias. Our method, combined with TD3 and SAC, significantly outperforms existing approaches across various locomotion and manipulation tasks, demonstrating improved performance and robustness to hyperparameters related to optimality. The code for this study is available at https://github.com/motokiomura/annealed-q-learning.

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies strictly on expensive physical execution. To bypass these physical constraints, we internalize execution priors to substitute costly runtime checks with instantaneous predictive reasoning, drawing inspiration from World Models. In this work, we formalize the task of Data-centric Solution Preference and construct a comprehensive corpus of 18,438 pairwise comparisons. We demonstrate that LLMs exhibit significant predictive capabilities when primed with a Verified Data Analysis Report, achieving 61.5% accuracy and robust confidence calibration. Finally, we instantiate this framework in FOREAGENT, an agent that employs a Predict-then-Verify loop, achieving a 6x acceleration in convergence while surpassing execution-based baselines by +6%. Our code and dataset will be publicly available soon at https://github.com/zjunlp/predict-before-execute.

Iterative refinement has been a promising paradigm to enable large language models (LLMs) to resolve difficult reasoning and problem-solving tasks. One of the key challenges, however, is how to effectively search through the enormous search space of possible refinements. Existing methods typically fall back on predefined heuristics, which are troubled by the exploration-exploitation dilemma and cannot adapt based on past refinement outcomes. We introduce Tree-Guided Policy Refinement (TGPR), a novel framework that combines GRPO with a Thompson-Sampling-based tree search. TGPR explores both failed and successful refinement paths actively, with denser training trajectories and more adaptive policies. On HumanEval, MBPP, and APPS benchmarks, our method achieves up to +4.2 percentage points absolute improvement in pass@1 (on MBPP) and up to +12.51 percentage points absolute improvement in pass@10 (on APPS) compared to a competitive GRPO baseline. Apart from debugging code, TGPR focuses on a principled approach to combining learned policies with structured search methods, offering a general framework for enhancing iterative refinement and stateful reasoning in LLMs.

An AI system can create and maintain knowledge only to the extent that it can verify that knowledge itself. Recent work on long Chain-of-Thought reasoning has demonstrated great potential of LLMs on solving competitive problems, but their verification ability remains to be weak and not sufficiently investigated. In this paper, we propose Heimdall, the long CoT verification LLM that can accurately judge the correctness of solutions. With pure reinforcement learning, we boost the verification accuracy from 62.5% to 94.5% on competitive math problems. By scaling with repeated sampling, the accuracy further increases to 97.5%. Through human evaluation, Heimdall demonstrates impressive generalization capabilities, successfully detecting most issues in challenging math proofs, the type of which is not included during training. Furthermore, we propose Pessimistic Verification to extend the functionality of Heimdall to scaling up the problem solving. It calls Heimdall to judge the solutions from a solver model and based on the pessimistic principle, selects the most likely correct solution with the least uncertainty. Taking DeepSeek-R1-Distill-Qwen-32B as the solver model, Pessimistic Verification improves the solution accuracy on AIME2025 from 54.2% to 70.0% with 16x compute budget and to 83.3% with more compute budget. With the stronger solver Gemini 2.5 Pro, the score reaches 93.0%. Finally, we prototype an automatic knowledge discovery system, a ternary system where one poses questions, another provides solutions, and the third verifies the solutions. Using the data synthesis work NuminaMath for the first two components, Heimdall effectively identifies problematic records within the dataset and reveals that nearly half of the data is flawed, which interestingly aligns with the recent ablation studies from NuminaMath.

Complex visual reasoning remains a key challenge today. Typically, the challenge is tackled using methodologies such as Chain of Thought (COT) and visual instruction tuning. However, how to organically combine these two methodologies for greater success remains unexplored. Also, issues like hallucinations and high training cost still need to be addressed. In this work, we devise an innovative multi-round training and reasoning framework suitable for lightweight Multimodal Large Language Models (MLLMs). Our self-questioning approach heuristically guides MLLMs to focus on visual clues relevant to the target problem, reducing hallucinations and enhancing the model's ability to describe fine-grained image details. This ultimately enables the model to perform well in complex visual reasoning and question-answering tasks. We have named this framework Socratic Questioning(SQ). To facilitate future research, we create a multimodal mini-dataset named CapQA, which includes 1k images of fine-grained activities, for visual instruction tuning and evaluation, our proposed SQ method leads to a 31.2% improvement in the hallucination score. Our extensive experiments on various benchmarks demonstrate SQ's remarkable capabilities in heuristic self-questioning, zero-shot visual reasoning and hallucination mitigation. Our model and code will be publicly available.

Model-based deep reinforcement learning has achieved success in various domains that require high sample efficiencies, such as Go and robotics. However, there are some remaining issues, such as planning efficient explorations to learn more accurate dynamic models, evaluating the uncertainty of the learned models, and more rational utilization of models. To mitigate these issues, we present MEEE, a model-ensemble method that consists of optimistic exploration and weighted exploitation. During exploration, unlike prior methods directly selecting the optimal action that maximizes the expected accumulative return, our agent first generates a set of action candidates and then seeks out the optimal action that takes both expected return and future observation novelty into account. During exploitation, different discounted weights are assigned to imagined transition tuples according to their model uncertainty respectively, which will prevent model predictive error propagation in agent training. Experiments on several challenging continuous control benchmark tasks demonstrated that our approach outperforms other model-free and model-based state-of-the-art methods, especially in sample complexity.

Reasoning models have demonstrated remarkable progress in solving complex and logic-intensive tasks by generating extended Chain-of-Thoughts (CoTs) prior to arriving at a final answer. Yet, the emergence of this "slow-thinking" paradigm, with numerous tokens generated in sequence, inevitably introduces substantial computational overhead. To this end, it highlights an urgent need for effective acceleration. This survey aims to provide a comprehensive overview of recent advances in efficient reasoning. It categorizes existing works into three key directions: (1) shorter - compressing lengthy CoTs into concise yet effective reasoning chains; (2) smaller - developing compact language models with strong reasoning capabilities through techniques such as knowledge distillation, other model compression techniques, and reinforcement learning; and (3) faster - designing efficient decoding strategies to accelerate inference. A curated collection of papers discussed in this survey is available in our GitHub repository.

This paper presents a strategy to allocate services on a Cloud system without overloading nodes and maintaining the system stability with minimum cost. We specify an abstract model of cloud resources utilization, including multiple types of resources as well as considerations for the service migration costs. A prototype meta-heuristic load balancer is demonstrated and experimental results are presented and discussed. We also propose a novel genetic algorithm, where population is seeded with the outputs of other meta-heuristic algorithms.

Large Language Models (LLMs) excel in many areas but continue to face challenges with complex reasoning tasks, such as Multi-Hop Question Answering (MHQA). MHQA requires integrating evidence from diverse sources while managing intricate logical dependencies, often leads to errors in reasoning. Retrieval-Augmented Generation (RAG), widely employed in MHQA tasks, faces challenges in effectively filtering noisy data and retrieving all necessary evidence, thereby limiting its effectiveness in addressing MHQA challenges. To address these challenges, we propose RISE:Reasoning Enhancement via Iterative Self-Exploration, a novel framework designed to enhance models' reasoning capability through iterative self-exploration. Specifically, RISE involves three key steps in addressing MHQA tasks: question decomposition, retrieve-then-read, and self-critique. By leveraging continuous self-exploration, RISE identifies accurate reasoning paths, iteratively self-improving the model's capability to integrate evidence, maintain logical consistency, and enhance performance in MHQA tasks. Extensive experiments on multiple MHQA benchmarks demonstrate that RISE significantly improves reasoning accuracy and task performance.

In this paper, we present empirical evidence of skills and directed exploration emerging from a simple RL algorithm long before any successful trials are observed. For example, in a manipulation task, the agent is given a single observation of the goal state and learns skills, first for moving its end-effector, then for pushing the block, and finally for picking up and placing the block. These skills emerge before the agent has ever successfully placed the block at the goal location and without the aid of any reward functions, demonstrations, or manually-specified distance metrics. Once the agent has learned to reach the goal state reliably, exploration is reduced. Implementing our method involves a simple modification of prior work and does not require density estimates, ensembles, or any additional hyperparameters. Intuitively, the proposed method seems like it should be terrible at exploration, and we lack a clear theoretical understanding of why it works so effectively, though our experiments provide some hints.

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.

This paper tackles optimization problems whose objective and constraints involve a trained Neural Network (NN), where the goal is to maximize f(Phi(x)) subject to c(Phi(x)) leq 0, with f smooth, c general and non-stringent, and Phi an already trained and possibly nonwhite-box NN. We address two challenges regarding this problem: identifying ascent directions for local search, and ensuring reliable convergence towards relevant local solutions. To this end, we re-purpose the notion of directional NN attacks as efficient optimization subroutines, since directional NN attacks use the neural structure of Phi to compute perturbations of x that steer Phi(x) in prescribed directions. Precisely, we develop an attack operator that computes attacks of Phi at any x along the direction nabla f(Phi(x)). Then, we propose a hybrid algorithm combining the attack operator with derivative-free optimization (DFO) techniques, designed for numerical reliability by remaining oblivious to the structure of the problem. We consider the cDSM algorithm, which offers asymptotic guarantees to converge to a local solution under mild assumptions on the problem. The resulting method alternates between attack-based steps for heuristic yet fast local intensification and cDSM steps for certified convergence and numerical reliability. Experiments on three problems show that this hybrid approach consistently outperforms standard DFO baselines.

The combination of Monte-Carlo tree search (MCTS) with deep reinforcement learning has led to significant advances in artificial intelligence. However, AlphaZero, the current state-of-the-art MCTS algorithm, still relies on handcrafted heuristics that are only partially understood. In this paper, we show that AlphaZero's search heuristics, along with other common ones such as UCT, are an approximation to the solution of a specific regularized policy optimization problem. With this insight, we propose a variant of AlphaZero which uses the exact solution to this policy optimization problem, and show experimentally that it reliably outperforms the original algorithm in multiple domains.

The alignments of reasoning abilities between smaller and larger Language Models are largely conducted via Supervised Fine-Tuning (SFT) using demonstrations generated from robust Large Language Models (LLMs). Although these approaches deliver more performant models, they do not show sufficiently strong generalization ability as the training only relies on the provided demonstrations. In this paper, we propose the Self-refine Instruction-tuning method that elicits Smaller Language Models to self-refine their abilities. Our approach is based on a two-stage process, where reasoning abilities are first transferred between LLMs and Small Language Models (SLMs) via Instruction-tuning on demonstrations provided by LLMs, and then the instructed models Self-refine their abilities through preference optimization strategies. In particular, the second phase operates refinement heuristics based on the Direct Preference Optimization algorithm, where the SLMs are elicited to deliver a series of reasoning paths by automatically sampling the generated responses and providing rewards using ground truths from the LLMs. Results obtained on commonsense and math reasoning tasks show that this approach significantly outperforms Instruction-tuning in both in-domain and out-domain scenarios, aligning the reasoning abilities of Smaller and Larger Language Models.

Deliberative tree search is a cornerstone of modern Large Language Model (LLM) research, driving the pivot from brute-force scaling toward algorithmic efficiency. This single paradigm unifies two critical frontiers: Test-Time Scaling (TTS), which deploys on-demand computation to solve hard problems, and Self-Improvement, which uses search-generated data to durably enhance model parameters. However, this burgeoning field is fragmented and lacks a common formalism, particularly concerning the ambiguous role of the reward signal -- is it a transient heuristic or a durable learning target? This paper resolves this ambiguity by introducing a unified framework that deconstructs search algorithms into three core components: the Search Mechanism, Reward Formulation, and Transition Function. We establish a formal distinction between transient Search Guidance for TTS and durable Parametric Reward Modeling for Self-Improvement. Building on this formalism, we introduce a component-centric taxonomy, synthesize the state-of-the-art, and chart a research roadmap toward more systematic progress in creating autonomous, self-improving agents.

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.

In this work we create agents that can perform well beyond a single, individual task, that exhibit much wider generalisation of behaviour to a massive, rich space of challenges. We define a universe of tasks within an environment domain and demonstrate the ability to train agents that are generally capable across this vast space and beyond. The environment is natively multi-agent, spanning the continuum of competitive, cooperative, and independent games, which are situated within procedurally generated physical 3D worlds. The resulting space is exceptionally diverse in terms of the challenges posed to agents, and as such, even measuring the learning progress of an agent is an open research problem. We propose an iterative notion of improvement between successive generations of agents, rather than seeking to maximise a singular objective, allowing us to quantify progress despite tasks being incomparable in terms of achievable rewards. We show that through constructing an open-ended learning process, which dynamically changes the training task distributions and training objectives such that the agent never stops learning, we achieve consistent learning of new behaviours. The resulting agent is able to score reward in every one of our humanly solvable evaluation levels, with behaviour generalising to many held-out points in the universe of tasks. Examples of this zero-shot generalisation include good performance on Hide and Seek, Capture the Flag, and Tag. Through analysis and hand-authored probe tasks we characterise the behaviour of our agent, and find interesting emergent heuristic behaviours such as trial-and-error experimentation, simple tool use, option switching, and cooperation. Finally, we demonstrate that the general capabilities of this agent could unlock larger scale transfer of behaviour through cheap finetuning.

Language Agent could be endowed with different mechanisms for autonomous task accomplishment. Current agents typically rely on fixed mechanisms or a set of mechanisms activated in a predefined order, limiting their adaptation to varied potential task solution structures. To this end, this paper proposes Adaptive Language Agent Mechanism Activation Learning with Self-Exploration (ALAMA), which focuses on optimizing mechanism activation adaptability without reliance on expert models. Initially, it builds a harmonized agent framework (UniAct) to Unify different mechanisms via Actions. Then it leverages a training-efficient optimization method based on self-exploration to enable the UniAct to adaptively activate the appropriate mechanisms according to the potential characteristics of the task. Experimental results demonstrate significant improvements in downstream agent tasks, affirming the effectiveness of our approach in facilitating more dynamic and context-sensitive mechanism activation.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

Multi-agent Pathfinding (MAPF) problem generally asks to find a set of conflict-free paths for a set of agents confined to a graph and is typically solved in a centralized fashion. Conversely, in this work, we investigate the decentralized MAPF setting, when the central controller that posses all the information on the agents' locations and goals is absent and the agents have to sequientially decide the actions on their own without having access to a full state of the environment. We focus on the practically important lifelong variant of MAPF, which involves continuously assigning new goals to the agents upon arrival to the previous ones. To address this complex problem, we propose a method that integrates two complementary approaches: planning with heuristic search and reinforcement learning through policy optimization. Planning is utilized to construct and re-plan individual paths. We enhance our planning algorithm with a dedicated technique tailored to avoid congestion and increase the throughput of the system. We employ reinforcement learning to discover the collision avoidance policies that effectively guide the agents along the paths. The policy is implemented as a neural network and is effectively trained without any reward-shaping or external guidance. We evaluate our method on a wide range of setups comparing it to the state-of-the-art solvers. The results show that our method consistently outperforms the learnable competitors, showing higher throughput and better ability to generalize to the maps that were unseen at the training stage. Moreover our solver outperforms a rule-based one in terms of throughput and is an order of magnitude faster than a state-of-the-art search-based solver.

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.

We propose iterative inversion -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a distribution shift between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.

Optimization problems are pervasive in 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 because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

Automated parking stands as a highly anticipated application of autonomous driving technology. However, existing path planning methodologies fall short of addressing this need due to their incapability to handle the diverse and complex parking scenarios in reality. While non-learning methods provide reliable planning results, they are vulnerable to intricate occasions, whereas learning-based ones are good at exploration but unstable in converging to feasible solutions. To leverage the strengths of both approaches, we introduce Hybrid pOlicy Path plannEr (HOPE). This novel solution integrates a reinforcement learning agent with Reeds-Shepp curves, enabling effective planning across diverse scenarios. HOPE guides the exploration of the reinforcement learning agent by applying an action mask mechanism and employs a transformer to integrate the perceived environmental information with the mask. To facilitate the training and evaluation of the proposed planner, we propose a criterion for categorizing the difficulty level of parking scenarios based on space and obstacle distribution. Experimental results demonstrate that our approach outperforms typical rule-based algorithms and traditional reinforcement learning methods, showing higher planning success rates and generalization across various scenarios. We also conduct real-world experiments to verify the practicability of HOPE. The code for our solution is openly available on https://github.com/jiamiya/HOPE.

Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.

Video diffusion transformers have achieved remarkable progress in high-quality video generation, but remain computationally expensive due to the quadratic complexity of attention over high-dimensional video sequences. Recent acceleration methods enhance the efficiency by exploiting the local sparsity of attention scores; yet they often struggle with accelerating the long-range computation. To address this problem, we propose VORTA, an acceleration framework with two novel components: 1) a sparse attention mechanism that efficiently captures long-range dependencies, and 2) a routing strategy that adaptively replaces full 3D attention with specialized sparse attention variants. VORTA achieves an end-to-end speedup 1.76times without loss of quality on VBench. Furthermore, it can seamlessly integrate with various other acceleration methods, such as model caching and step distillation, reaching up to speedup 14.41times with negligible performance degradation. VORTA demonstrates its efficiency and enhances the practicality of video diffusion transformers in real-world settings. Codes and weights are available at https://github.com/wenhao728/VORTA.

Recent advances in large reasoning language models (LRLMs) rely on test-time scaling, which extends long chain-of-thought (CoT) generation to solve complex tasks. However, overthinking in long CoT not only slows down the efficiency of problem solving, but also risks accuracy loss due to the extremely detailed or redundant reasoning steps. We propose a simple yet effective method that allows LLMs to self-truncate CoT sequences by early exit during generation. Instead of relying on fixed heuristics, the proposed method monitors model behavior at potential reasoning transition points (e.g.,"Wait" tokens) and dynamically terminates the next reasoning chain's generation when the model exhibits high confidence in a trial answer. Our method requires no additional training and can be seamlessly integrated into existing o1-like reasoning LLMs. Experiments on 10 reasoning benchmarks (e.g., GSM8K, MATH-500, AMC, GPQA, AIME and LiveCodeBench) show that the proposed method is consistently effective on 11 cutting-edge reasoning LLMs of varying series and sizes, reducing the length of CoT sequences by an average of 19.1% to 80.1% while improving accuracy by 0.3% to 5.0%.

Recent advances have witnessed the effectiveness of reinforcement learning (RL) finetuning in enhancing the reasoning capabilities of large language models (LLMs). The optimization process often requires numerous iterations to achieve satisfactory performance, resulting in high computational costs due to the need for frequent prompt evaluations under intensive LLM interactions and repeated policy updates. Appropriate online prompt selection methods reduce iteration steps by prioritizing informative prompts during training, while the pipeline's reliance on exhaustive prompt evaluation and subset selection for optimization still incurs substantial computational overhead due to frequent LLM inference calls. Distinguished from these direct evaluate-then-select schemes, this work investigates iterative approximate evaluation for arbitrary prompts and introduces Model Predictive Prompt Selection (MoPPS), a Bayesian risk-predictive framework that online estimates prompt difficulty without requiring costly LLM interactions. Technically, MoPPS models each prompt's success rate as a latent variable, performs streaming Bayesian inference, and employs posterior sampling in a constructed multi-armed bandit machine, enabling sample efficient and adaptive prompt selection. Extensive experiments across mathematics, planning, and vision-based geometry tasks show that MoPPS reliably predicts prompt difficulty and accelerates training with significantly reduced LLM rollouts.

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.

With the widespread adoption of machine learning systems, the need to curtail their behavior has become increasingly apparent. This is evidenced by recent advancements towards developing models that satisfy robustness, safety, and fairness requirements. These requirements can be imposed (with generalization guarantees) by formulating constrained learning problems that can then be tackled by dual ascent algorithms. Yet, though these algorithms converge in objective value, even in non-convex settings, they cannot guarantee that their outcome is feasible. Doing so requires randomizing over all iterates, which is impractical in virtually any modern applications. Still, final iterates have been observed to perform well in practice. In this work, we address this gap between theory and practice by characterizing the constraint violation of Lagrangian minimizers associated with optimal dual variables, despite lack of convexity. To do this, we leverage the fact that non-convex, finite-dimensional constrained learning problems can be seen as parametrizations of convex, functional problems. Our results show that rich parametrizations effectively mitigate the issue of feasibility in dual methods, shedding light on prior empirical successes of dual learning. We illustrate our findings in fair learning tasks.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

Training-free acceleration has emerged as an advanced research area in video generation based on diffusion models. The redundancy of latents in diffusion model inference provides a natural entry point for acceleration. In this paper, we decompose the inference process into the encoding, denoising, and decoding stages, and observe that cache-based acceleration methods often lead to substantial memory surges in the latter two stages. To address this problem, we analyze the characteristics of inference across different stages and propose stage-specific strategies for reducing memory consumption: 1) Asynchronous Cache Swapping. 2) Feature chunk. 3) Slicing latents to decode. At the same time, we ensure that the time overhead introduced by these three strategies remains lower than the acceleration gains themselves. Compared with the baseline, our approach achieves faster inference speed and lower memory usage, while maintaining quality degradation within an acceptable range. The Code is available at https://github.com/NKUShaw/LightCache .

Recent advancements in Large Language Models (LLMs) have demonstrated their potential in planning and reasoning tasks, offering a flexible alternative to classical pathfinding algorithms. However, most existing studies focus on LLMs' independent reasoning capabilities and overlook the potential synergy between LLMs and traditional algorithms. To fill this gap, we propose a comprehensive evaluation benchmark GridRoute to assess how LLMs can take advantage of traditional algorithms. We also propose a novel hybrid prompting technique called Algorithm of Thought (AoT), which introduces traditional algorithms' guidance into prompting. Our benchmark evaluates six LLMs ranging from 7B to 72B parameters across various map sizes, assessing their performance in correctness, optimality, and efficiency in grid environments with varying sizes. Our results show that AoT significantly boosts performance across all model sizes, particularly in larger or more complex environments, suggesting a promising approach to addressing path planning challenges. Our code is open-sourced at https://github.com/LinChance/GridRoute.

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.

Vessel transit in ice-covered waters poses unique challenges in safe and efficient motion planning. When the concentration of ice is high, it may not be possible to find collision-free trajectories. Instead, ice can be pushed out of the way if it is small or if contact occurs near the edge of the ice. In this work, we propose a real-time navigation framework that minimizes collisions with ice and distance travelled by the vessel. We exploit a lattice-based planner with a cost that captures the ship interaction with ice. To address the dynamic nature of the environment, we plan motion in a receding horizon manner based on updated vessel and ice state information. Further, we present a novel planning heuristic for evaluating the cost-to-go, which is applicable to navigation in a channel without a fixed goal location. The performance of our planner is evaluated across several levels of ice concentration both in simulated and in real-world experiments.

This paper presents a parallel random-search method for reducing additive complexity in fast matrix multiplication. The approach replaces expensive exact evaluation with fast heuristic scoring, including the new Greedy-Intersections strategy. The method runs many independent common subexpression elimination processes in parallel, exploring the search space through random pair substitutions and diverse selection strategies while sharing promising partial solutions. Tested on 164 ternary-coefficient schemes, the method achieves lower addition counts than the state-of-the-art Greedy-Potential on 103 schemes, matches it on 59, and is outperformed on 2. For most schemes, it gives equal or better results while being much faster, making it practical for algorithm exploration. All software and results are open source.

Mixed integer linear programs are commonly solved by Branch and Bound algorithms. A key factor of the efficiency of the most successful commercial solvers is their fine-tuned heuristics. In this paper, we leverage patterns in real-world instances to learn from scratch a new branching strategy optimised for a given problem and compare it with a commercial solver. We propose FMSTS, a novel Reinforcement Learning approach specifically designed for this task. The strength of our method lies in the consistency between a local value function and a global metric of interest. In addition, we provide insights for adapting known RL techniques to the Branch and Bound setting, and present a new neural network architecture inspired from the literature. To our knowledge, it is the first time Reinforcement Learning has been used to fully optimise the branching strategy. Computational experiments show that our method is appropriate and able to generalise well to new instances.

Task allocation is a key combinatorial optimization problem, crucial for modern applications such as multi-robot cooperation and resource scheduling. Decision makers must allocate entities to tasks reasonably across different scenarios. However, traditional methods assume static attributes and numbers of tasks and entities, often relying on dynamic programming and heuristic algorithms for solutions. In reality, task allocation resembles Markov decision processes, with dynamically changing task and entity attributes. Thus, algorithms must dynamically allocate tasks based on their states. To address this issue, we propose a two-stage task allocation algorithm based on similarity, utilizing reinforcement learning to learn allocation strategies. The proposed pre-assign strategy allows entities to preselect appropriate tasks, effectively avoiding local optima and thereby better finding the optimal allocation. We also introduce an attention mechanism and a hyperparameter network structure to adapt to the changing number and attributes of entities and tasks, enabling our network structure to generalize to new tasks. Experimental results across multiple environments demonstrate that our algorithm effectively addresses the challenges of dynamic task allocation in practical applications. Compared to heuristic algorithms like genetic algorithms, our reinforcement learning approach better solves dynamic allocation problems and achieves zero-shot generalization to new tasks with good performance. The code is available at https://github.com/yk7333/TaskAllocation.

We present a novel approach for generating motion primitives for kinodynamic motion planning using diffusion models. The motions generated by our approach are adapted to each problem instance by utilizing problem-specific parameters, allowing for finding solutions faster and of better quality. The diffusion models used in our approach are trained on randomly cut solution trajectories. These trajectories are created by solving randomly generated problem instances with a kinodynamic motion planner. Experimental results show significant improvements up to 30 percent in both computation time and solution quality across varying robot dynamics such as second-order unicycle or car with trailer.