Daily Papers

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.

Heuristic functions are essential to the performance of tree search algorithms such as A*, where their accuracy and efficiency directly impact search outcomes. Traditionally, such heuristics are handcrafted, requiring significant expertise. Recent advances in large language models (LLMs) and evolutionary frameworks have opened the door to automating heuristic design. In this paper, we extend the Evolution of Heuristics (EoH) framework to investigate the automated generation of guiding heuristics for A* search. We introduce a novel domain-agnostic prompt augmentation strategy that includes the A* code into the prompt to leverage in-context learning, named Algorithmic - Contextual EoH (A-CEoH). To evaluate the effectiveness of A-CeoH, we study two problem domains: the Unit-Load Pre-Marshalling Problem (UPMP), a niche problem from warehouse logistics, and the classical sliding puzzle problem (SPP). Our computational experiments show that A-CEoH can significantly improve the quality of the generated heuristics and even outperform expert-designed heuristics.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

Automatic heuristic design (AHD) has emerged as a promising paradigm for solving NP-hard combinatorial optimization problems (COPs). Recent works show that large language models (LLMs), when integrated into well-designed frameworks (i.e., LLM-AHD), can autonomously discover high-performing heuristics. However, existing LLM-AHD frameworks typically treat LLMs as passive generators within fixed workflows, where the model generates heuristics from manually designed, limited context. Such context may fail to capture state-dependent information (e.g., specific failure modes), leading to inefficient trial-and-error exploration. To overcome these limitations, we propose AHD Agent, a novel tool-integrated, multi-turn framework that empowers LLMs to proactively decide whether to generate heuristics or invoke tools to retrieve targeted evidence from the solving environment. To effectively train such a dynamic decision-making agent, we introduce an agentic reinforcement learning (RL) system, which leverages a novel environment synthesis pipeline to optimize a compact model's generalizable AHD capabilities. Experiments across eight diverse domains, including four held-out tasks, demonstrate that our 4B-parameter agent matches or surpasses state-of-the-art baselines using much larger models, while requiring significantly fewer evaluations. Model and inference scaling analysis further reveals that AHD Agent offers an effective trajectory toward truly autonomous heuristic design.

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.

In recent years, Large Language Models (LLMs) have demonstrated remarkable capabilities in various tasks (e.g., long-context understanding), and many benchmarks have been proposed. However, we observe that long text generation capabilities are not well investigated. Therefore, we introduce the Hierarchical Long Text Generation Benchmark (HelloBench), a comprehensive, in-the-wild, and open-ended benchmark to evaluate LLMs' performance in generating long text. Based on Bloom's Taxonomy, HelloBench categorizes long text generation tasks into five subtasks: open-ended QA, summarization, chat, text completion, and heuristic text generation. Besides, we propose Hierarchical Long Text Evaluation (HelloEval), a human-aligned evaluation method that significantly reduces the time and effort required for human evaluation while maintaining a high correlation with human evaluation. We have conducted extensive experiments across around 30 mainstream LLMs and observed that the current LLMs lack long text generation capabilities. Specifically, first, regardless of whether the instructions include explicit or implicit length constraints, we observe that most LLMs cannot generate text that is longer than 4000 words. Second, we observe that while some LLMs can generate longer text, many issues exist (e.g., severe repetition and quality degradation). Third, to demonstrate the effectiveness of HelloEval, we compare HelloEval with traditional metrics (e.g., ROUGE, BLEU, etc.) and LLM-as-a-Judge methods, which show that HelloEval has the highest correlation with human evaluation. We release our code in https://github.com/Quehry/HelloBench.

Mutation testing is an effective approach to evaluate and strengthen software test suites, but its adoption is currently limited by the mutants' execution computational cost. Several strategies have been proposed to reduce this cost (a.k.a. mutation cost reduction strategies), however none of them has proven to be effective for all scenarios since they often need an ad-hoc manual selection and configuration depending on the software under test (SUT). In this paper, we propose a novel multi-objective evolutionary hyper-heuristic approach, dubbed Sentinel, to automate the generation of optimal cost reduction strategies for every new SUT. We evaluate Sentinel by carrying out a thorough empirical study involving 40 releases of 10 open-source real-world software systems and both baseline and state-of-the-art strategies as a benchmark. We execute a total of 4,800 experiments, and evaluate their results with both quality indicators and statistical significance tests, following the most recent best practice in the literature. The results show that strategies generated by Sentinel outperform the baseline strategies in 95% of the cases always with large effect sizes. They also obtain statistically significantly better results than state-of-the-art strategies in 88% of the cases, with large effect sizes for 95% of them. Also, our study reveals that the mutation strategies generated by Sentinel for a given software version can be used without any loss in quality for subsequently developed versions in 95% of the cases. These results show that Sentinel is able to automatically generate mutation strategies that reduce mutation testing cost without affecting its testing effectiveness (i.e. mutation score), thus taking off from the tester's shoulders the burden of manually selecting and configuring strategies for each SUT.

The evolution of Large Language Models (LLMs) has resulted in a paradigm shift towards autonomous agents, necessitating robust security against Prompt Injection (PI) vulnerabilities where untrusted inputs hijack agent behaviors. This SoK presents a comprehensive overview of the PI landscape, covering attacks, defenses, and their evaluation practices. Through a systematic literature review and quantitative analysis, we establish taxonomies that categorize PI attacks by payload generation strategies (heuristic vs. optimization) and defenses by intervention stages (text, model, and execution levels). Our analysis reveals a key limitation shared by many existing defenses and benchmarks: they largely overlook context-dependent tasks, in which agents are authorized to rely on runtime environmental observations to determine actions. To address this gap, we introduce AgentPI, a new benchmark designed to systematically evaluate agent behavior under context-dependent interaction settings. Using AgentPI, we empirically evaluate representative defenses and show that no single approach can simultaneously achieve high trustworthiness, high utility, and low latency. Moreover, we show that many defenses appear effective under existing benchmarks by suppressing contextual inputs, yet fail to generalize to realistic agent settings where context-dependent reasoning is essential. This SoK distills key takeaways and open research problems, offering structured guidance for future research and practical deployment of secure LLM agents.

The Retrieval-Augmented Generation (RAG) approach enhances question-answering systems and dialogue generation tasks by integrating information retrieval (IR) technologies with large language models (LLMs). This strategy, which retrieves information from external knowledge bases to bolster the response capabilities of generative models, has achieved certain successes. However, current RAG methods still face numerous challenges when dealing with multi-hop queries. For instance, some approaches overly rely on iterative retrieval, wasting too many retrieval steps on compound queries. Additionally, using the original complex query for retrieval may fail to capture content relevant to specific sub-queries, resulting in noisy retrieved content. If the noise is not managed, it can lead to the problem of noise accumulation. To address these issues, we introduce HANRAG, a novel heuristic-based framework designed to efficiently tackle problems of varying complexity. Driven by a powerful revelator, HANRAG routes queries, decomposes them into sub-queries, and filters noise from retrieved documents. This enhances the system's adaptability and noise resistance, making it highly capable of handling diverse queries. We compare the proposed framework against other leading industry methods across various benchmarks. The results demonstrate that our framework obtains superior performance in both single-hop and multi-hop question-answering tasks.

Ternary weight quantization (e.g., BitNet b1.58) offers a promising path to mitigate the memory bandwidth bottleneck in Large Language Model (LLM) inference. However, conventional compute platforms lack native support for ternary-weight arithmetic, often relying on inefficient dequantization. Lookup table (LUT)-based hardware architectures provide an effective alternative by replacing multiplications with conditional additions, but their design space remains largely unexplored. Existing designs rely on heuristic parameter selection, lacking a systematic understanding of the architectural trade-offs. This work addresses this gap by formalizing the design space of ternary LUT-based accelerators and presenting an open-source hardware generator coupled with an analytical cost model, validated against synthesis in TSMC 16nm technology. By spanning the full architectural space, this framework not only enables rapid design space exploration but also establishes a common footing for fair cross-design evaluation, which was previously hindered by inconsistent instantiations across published accelerators. Using this framework, we challenge several assumptions and design choices in recent literature. We demonstrate that the optimal architecture is fundamentally governed by the activation data type: while LUT-based reuse offers significant gains for high-cost arithmetic (e.g., FP16), it yields diminishing returns for small integer types. Furthermore, we show that maximizing core size consistently improves area density compared to highly tiled approaches. Our optimized designs achieve a 2.2x area reduction compared to multiplier-based baselines. Moreover, by benchmarking state-of-the-art implementations against our model, we reveal that correcting suboptimal parameters yields up to a 1.2x area improvement.

Retrieval-Augmented Generation (RAG) is the prevailing paradigm for grounding Large Language Models (LLMs), yet the mechanisms governing how models integrate groups of conflicting retrieved evidence remain opaque. Does an LLM answer a certain way because the evidence is factually strong, because of a prior belief, or merely because it is repeated frequently? To answer this, we introduce GroupQA, a curated dataset of 1,635 controversial questions paired with 15,058 diversely-sourced evidence documents, annotated for stance and qualitative strength. Through controlled experiments, we characterize group-level evidence aggregation dynamics: Paraphrasing an argument can be more persuasive than providing distinct independent support; Models favor evidence presented first rather than last, and Larger models are increasingly resistant to adapt to presented evidence. Additionally, we find that LLM explanations to group-based answers are unfaithful. Together, we show that LLMs behave consistently as vulnerable heuristic followers, with direct implications for improving RAG system design.

Zero-shot customized video generation has gained significant attention due to its substantial application potential. Existing methods rely on additional models to extract and inject reference subject features, assuming that the Video Diffusion Model (VDM) alone is insufficient for zero-shot customized video generation. However, these methods often struggle to maintain consistent subject appearance due to suboptimal feature extraction and injection techniques. In this paper, we reveal that VDM inherently possesses the force to extract and inject subject features. Departing from previous heuristic approaches, we introduce a novel framework that leverages VDM's inherent force to enable high-quality zero-shot customized video generation. Specifically, for feature extraction, we directly input reference images into VDM and use its intrinsic feature extraction process, which not only provides fine-grained features but also significantly aligns with VDM's pre-trained knowledge. For feature injection, we devise an innovative bidirectional interaction between subject features and generated content through spatial self-attention within VDM, ensuring that VDM has better subject fidelity while maintaining the diversity of the generated video.Experiments on both customized human and object video generation validate the effectiveness of our framework.

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

Automatic question generation aims to generate questions from a text passage where the generated questions can be answered by certain sub-spans of the given passage. Traditional methods mainly use rigid heuristic rules to transform a sentence into related questions. In this work, we propose to apply the neural encoder-decoder model to generate meaningful and diverse questions from natural language sentences. The encoder reads the input text and the answer position, to produce an answer-aware input representation, which is fed to the decoder to generate an answer focused question. We conduct a preliminary study on neural question generation from text with the SQuAD dataset, and the experiment results show that our method can produce fluent and diverse questions.

Identity-preserving text-to-video (IPT2V) generation aims to create high-fidelity videos with consistent human identity. It is an important task in video generation but remains an open problem for generative models. This paper pushes the technical frontier of IPT2V in two directions that have not been resolved in literature: (1) A tuning-free pipeline without tedious case-by-case finetuning, and (2) A frequency-aware heuristic identity-preserving DiT-based control scheme. We propose ConsisID, a tuning-free DiT-based controllable IPT2V model to keep human identity consistent in the generated video. Inspired by prior findings in frequency analysis of diffusion transformers, it employs identity-control signals in the frequency domain, where facial features can be decomposed into low-frequency global features and high-frequency intrinsic features. First, from a low-frequency perspective, we introduce a global facial extractor, which encodes reference images and facial key points into a latent space, generating features enriched with low-frequency information. These features are then integrated into shallow layers of the network to alleviate training challenges associated with DiT. Second, from a high-frequency perspective, we design a local facial extractor to capture high-frequency details and inject them into transformer blocks, enhancing the model's ability to preserve fine-grained features. We propose a hierarchical training strategy to leverage frequency information for identity preservation, transforming a vanilla pre-trained video generation model into an IPT2V model. Extensive experiments demonstrate that our frequency-aware heuristic scheme provides an optimal control solution for DiT-based models. Thanks to this scheme, our ConsisID generates high-quality, identity-preserving videos, making strides towards more effective IPT2V.

Multimodal Retrieval Augmented Generation (mRAG) plays an important role in mitigating the "hallucination" issue inherent in multimodal large language models (MLLMs). Although promising, existing heuristic mRAGs typically predefined fixed retrieval processes, which causes two issues: (1) Non-adaptive Retrieval Queries. (2) Overloaded Retrieval Queries. However, these flaws cannot be adequately reflected by current knowledge-seeking visual question answering (VQA) datasets, since the most required knowledge can be readily obtained with a standard two-step retrieval. To bridge the dataset gap, we first construct Dyn-VQA dataset, consisting of three types of "dynamic" questions, which require complex knowledge retrieval strategies variable in query, tool, and time: (1) Questions with rapidly changing answers. (2) Questions requiring multi-modal knowledge. (3) Multi-hop questions. Experiments on Dyn-VQA reveal that existing heuristic mRAGs struggle to provide sufficient and precisely relevant knowledge for dynamic questions due to their rigid retrieval processes. Hence, we further propose the first self-adaptive planning agent for multimodal retrieval, OmniSearch. The underlying idea is to emulate the human behavior in question solution which dynamically decomposes complex multimodal questions into sub-question chains with retrieval action. Extensive experiments prove the effectiveness of our OmniSearch, also provide direction for advancing mRAG. The code and dataset will be open-sourced at https://github.com/Alibaba-NLP/OmniSearch.

Director-style prompting, robotic action prediction, and interactive video agents demand temporal grounding over concurrent events -- a regime in which 68% of general clips and over 99% of robotics/gameplay clips contain overlapping events, yet existing multi-event generators rest on a single-active-prompt assumption. However, modern video generators, such as Diffusion Transformers (DiT), represent time as discrete points through point-wise positional encodings. This formulation creates a fundamental dimension mismatch: temporally extended intervals and overlapping events are mathematically unrepresentable to the attention mechanism. In this paper, we propose Time Interval Encoding (TIE), a principled, plug-and-play interval-aware generalization of rotary embeddings that elevates time intervals to first-class primitives inside DiT cross-attention. Rather than introducing another heuristic interval embedding, we show that, within RoPE-compatible bilinear attention, TIE is characterized by two basic principles: Temporal Integrability, which requires an event to aggregate positional evidence over its full duration, and Duration Invariance, which removes the trivial bias toward longer intervals. Under a uniform kernel, this characterization yields an efficient closed-form sinc-based solution that preserves the standard attention interface and naturally attenuates boundary noise through interval integration. Empirically, TIE preserves the visual quality of the base DiT model while substantially improving temporal controllability. In our experiments on the OmniEvents dataset, it improves human-verified Temporal Constraint Satisfaction Rate from 77.34% to 96.03% and reduces temporal boundary error from 0.261s to 0.073s, while also improving trajectory-level temporal alignment metrics. The code and dataset are available at https://github.com/MatrixTeam-AI/TIE.

Scaling data quantity is essential for large language models (LLMs), yet recent findings show that data quality can significantly boost performance and training efficiency. We introduce a German-language dataset curation pipeline that combines heuristic and model-based filtering techniques with synthetic data generation. We use our pipeline to create Aleph-Alpha-GermanWeb, a large-scale German pre-training dataset which draws from: (1) Common Crawl web data, (2) FineWeb2, and (3) synthetically-generated data conditioned on actual, organic web data. We evaluate our dataset by pre-training both a 1B Llama-style model and an 8B tokenizer-free hierarchical autoregressive transformer (HAT). A comparison on German-language benchmarks, including MMMLU, shows significant performance gains of Aleph-Alpha-GermanWeb over FineWeb2 alone. This advantage holds at the 8B scale even when FineWeb2 is enriched by human-curated high-quality data sources such as Wikipedia. Our findings support the growing body of evidence that model-based data curation and synthetic data generation can significantly enhance LLM pre-training datasets.

In the realm of Large Language Models (LLMs), users commonly employ diverse decoding strategies and adjust hyperparameters to control the generated text. However, a critical question emerges: Are LLMs conscious of the existence of these decoding strategies and capable of regulating themselves? The current decoding generation process often relies on empirical and heuristic manual adjustments to hyperparameters based on types of tasks and demands. However, this process is typically cumbersome, and the decoding hyperparameters may not always be optimal for each sample. To address the aforementioned challenges, we propose a novel text generation paradigm termed Hyperparameter Aware Generation (HAG). By leveraging hyperparameter-aware instruction tuning, the LLM autonomously determines the optimal decoding strategy and configs based on the input samples, enabling self-regulation. Our approach eliminates the need for extensive manual tuning, offering a more autonomous, self-regulate model behavior. Experimental results spanning six datasets across reasoning, creativity, translation, and mathematics tasks demonstrate that hyperparameter-aware instruction tuning empowers the LLMs to self-regulate the decoding strategy and hyperparameter. HAG extends the current paradigm in the text generation process, highlighting the feasibility of endowing the LLMs with self-regulate decoding strategies.

Video diffusion models (DMs) have enabled high-quality video synthesis. However, their computation costs scale quadratically with sequence length because self-attention has quadratic complexity. While linear attention lowers the cost, fully replacing quadratic attention requires expensive pretraining due to the limited expressiveness of linear attention and the complexity of spatiotemporal modeling in video generation. In this paper, we present LinVideo, an efficient data-free post-training framework that replaces a target number of self-attention modules with linear attention while preserving the original model's performance. First, we observe a significant disparity in the replaceability of different layers. Instead of manual or heuristic choices, we frame layer selection as a binary classification problem and propose selective transfer, which automatically and progressively converts layers to linear attention with minimal performance impact. Additionally, to overcome the ineffectiveness and inefficiency of existing objectives for this transfer process, we introduce an anytime distribution matching (ADM) objective that aligns the distributions of samples across any timestep along the sampling trajectory. This objective is efficient and recovers model performance. Extensive experiments show that our method achieves a 1.25-2.00x speedup while preserving generation quality, and our 4-step distilled model further delivers a 15.92x latency reduction with minimal visual quality drop.

Traditional Retrieval-Augmented Generation (RAG) benchmarks rely on different heuristic-based metrics for evaluation, but these require human preferences as ground truth for reference. In contrast, arena-based benchmarks, where two models compete each other, require an expensive Large Language Model (LLM) as a judge for a reliable evaluation. We present an easy and efficient technique to get the best of both worlds. The idea is to train a learning to rank model as a "surrogate" judge using RAG-based evaluation heuristics as input, to produce a synthetic arena-based leaderboard. Using this idea, We develop MIRAGE-Bench, a standardized arena-based multilingual RAG benchmark for 18 diverse languages on Wikipedia. The benchmark is constructed using MIRACL, a retrieval dataset, and extended for multilingual generation evaluation. MIRAGE-Bench evaluates RAG extensively coupling both heuristic features and LLM as a judge evaluator. In our work, we benchmark 19 diverse multilingual-focused LLMs, and achieve a high correlation (Kendall Tau (tau) = 0.909) using our surrogate judge learned using heuristic features with pairwise evaluations and between GPT-4o as a teacher on the MIRAGE-Bench leaderboard using the Bradley-Terry framework. We observe proprietary and large open-source LLMs currently dominate in multilingual RAG. MIRAGE-Bench is available at: https://github.com/vectara/mirage-bench.

Automatic program repair (APR) is crucial to reduce manual debugging efforts for developers and improve software reliability. While conventional search-based techniques typically rely on heuristic rules or a redundancy assumption to mine fix patterns, recent years have witnessed the surge of deep learning (DL) based approaches to automate the program repair process in a data-driven manner. However, their performance is often limited by a fixed set of parameters to model the highly complex search space of APR. To ease such burden on the parametric models, in this work, we propose a novel Retrieval-Augmented Patch Generation framework (RAP-Gen) by explicitly leveraging relevant fix patterns retrieved from a codebase of previous bug-fix pairs. Specifically, we build a hybrid patch retriever to account for both lexical and semantic matching based on the raw source code in a language-agnostic manner, which does not rely on any code-specific features. In addition, we adapt a code-aware language model CodeT5 as our foundation model to facilitate both patch retrieval and generation tasks in a unified manner. We adopt a stage-wise approach where the patch retriever first retrieves a relevant external bug-fix pair to augment the buggy input for the CodeT5 patch generator, which synthesizes a ranked list of repair patch candidates. Notably, RAP-Gen is a generic APR framework that can flexibly integrate different patch retrievers and generators to repair various types of bugs. We thoroughly evaluate RAP-Gen on three benchmarks in two programming languages, including the TFix benchmark in JavaScript, and Code Refinement and Defects4J benchmarks in Java, where the bug localization information may or may not be provided. Experimental results show that RAP-Gen significantly outperforms previous state-of-the-art approaches on all benchmarks, e.g., repairing 15 more bugs on 818 Defects4J bugs.

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 present a novel approach to data-to-text generation based on iterative text editing. Our approach maximizes the completeness and semantic accuracy of the output text while leveraging the abilities of recent pre-trained models for text editing (LaserTagger) and language modeling (GPT-2) to improve the text fluency. To this end, we first transform data items to text using trivial templates, and then we iteratively improve the resulting text by a neural model trained for the sentence fusion task. The output of the model is filtered by a simple heuristic and reranked with an off-the-shelf pre-trained language model. We evaluate our approach on two major data-to-text datasets (WebNLG, Cleaned E2E) and analyze its caveats and benefits. Furthermore, we show that our formulation of data-to-text generation opens up the possibility for zero-shot domain adaptation using a general-domain dataset for sentence fusion.

Optimizing GPU kernels is critical for efficient modern machine learning systems yet remains challenging due to the complex interplay of design factors and rapid hardware evolution. Existing automated approaches typically treat Large Language Models (LLMs) merely as stochastic code generators within heuristic-guided evolutionary loops. These methods often struggle with complex kernels requiring coordinated, multi-step structural transformations, as they lack explicit planning capabilities and frequently discard promising strategies due to inefficient or incorrect intermediate implementations. To address this, we propose Search via Co-Evolving World Model and build K-Search based on this method. By replacing static search heuristics with a co-evolving world model, our framework leverages LLMs' prior domain knowledge to guide the search, actively exploring the optimization space. This approach explicitly decouples high-level algorithmic planning from low-level program instantiation, enabling the system to navigate non-monotonic optimization paths while remaining resilient to temporary implementation defects. We evaluate K-Search on diverse, complex kernels from FlashInfer, including GQA, MLA, and MoE kernels. Our results show that K-Search significantly outperforms state-of-the-art evolutionary search methods, achieving an average 2.10x improvement and up to a 14.3x gain on complex MoE kernels. On the GPUMode TriMul task, K-Search achieves state-of-the-art performance on H100, reaching 1030us and surpassing both prior evolution and human-designed solutions.

Retrieval-augmented generation (RAG) is a well-suited technique for retrieving privacy-sensitive Electronic Health Records (EHR). It can serve as a key module of the healthcare copilot, helping reduce misdiagnosis for healthcare practitioners and patients. However, the diagnostic accuracy and specificity of existing heuristic-based RAG models used in the medical domain are inadequate, particularly for diseases with similar manifestations. This paper proposes MedRAG, a RAG model enhanced by knowledge graph (KG)-elicited reasoning for the medical domain that retrieves diagnosis and treatment recommendations based on manifestations. MedRAG systematically constructs a comprehensive four-tier hierarchical diagnostic KG encompassing critical diagnostic differences of various diseases. These differences are dynamically integrated with similar EHRs retrieved from an EHR database, and reasoned within a large language model. This process enables more accurate and specific decision support, while also proactively providing follow-up questions to enhance personalized medical decision-making. MedRAG is evaluated on both a public dataset DDXPlus and a private chronic pain diagnostic dataset (CPDD) collected from Tan Tock Seng Hospital, and its performance is compared against various existing RAG methods. Experimental results show that, leveraging the information integration and relational abilities of the KG, our MedRAG provides more specific diagnostic insights and outperforms state-of-the-art models in reducing misdiagnosis rates. Our code will be available at https://github.com/SNOWTEAM2023/MedRAG

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

Retrieval-Augmented Generation systems depend on retrieving semantically relevant document chunks to support accurate, grounded outputs from large language models. In structured and repetitive corpora such as regulatory filings, chunk similarity alone often fails to distinguish between documents with overlapping language. Practitioners often flatten metadata into input text as a heuristic, but the impact and trade-offs of this practice remain poorly understood. We present a systematic study of metadata-aware retrieval strategies, comparing plain-text baselines with approaches that embed metadata directly. Our evaluation spans metadata-as-text (prefix and suffix), a dual-encoder unified embedding that fuses metadata and content in a single index, dual-encoder late-fusion retrieval, and metadata-aware query reformulation. Across multiple retrieval metrics and question types, we find that prefixing and unified embeddings consistently outperform plain-text baselines, with the unified at times exceeding prefixing while being easier to maintain. Beyond empirical comparisons, we analyze embedding space, showing that metadata integration improves effectiveness by increasing intra-document cohesion, reducing inter-document confusion, and widening the separation between relevant and irrelevant chunks. Field-level ablations show that structural cues provide strong disambiguating signals. Our code, evaluation framework, and the RAGMATE-10K dataset are publicly hosted.

Recent advances in large language models (LLMs) have significantly boosted long-context processing. However, the increasing key-value (KV) cache size poses critical challenges to memory and execution efficiency. Most KV cache compression methods rely on heuristic token eviction using all attention heads in Grouped Query Attention (GQA)-based LLMs. This method ignores the different functionalities of attention heads, leading to the eviction of critical tokens and thus degrades the performance of LLMs. To address the issue above, instead of using all the attention heads in GQA-based LLMs to determine important tokens as in the previous work, we first identify the attention heads in each layer that are not only capable of retrieving the initial and final tokens of a prompt, but also capable of retrieving important tokens within the text and attending to their surrounding semantic context. Afterwards, we exploit such heads to determine the important tokens and retain their corresponding KV cache pairs. Furthermore, we analyze the cache eviction error of each layer individually and introduce a layer-adaptive KV cache allocation strategy. Experimental results demonstrate the proposed CompressKV consistently outperforms state-of-the-art approaches under various memory budgets on LongBench and Needle-in-a-Haystack benchmarks. Our code is publicly available at: https://github.com/TUDa-HWAI/CompressKV.git.

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their effectiveness in solving specific problems, with search strategies primarily guided by adaptive prompt designs. In this paper, through investigating the token-wise attribution of the prompts to LLM-generated algorithmic codes, we show that providing high-quality algorithmic code examples can substantially improve the performance of the LLM-driven optimization. Building upon this insight, we propose leveraging prior benchmark algorithms to guide LLM-driven optimization and demonstrate superior performance on two black-box optimization benchmarks: the pseudo-Boolean optimization suite (pbo) and the black-box optimization suite (bbob). Our findings highlight the value of integrating benchmarking studies to enhance both efficiency and robustness of the LLM-driven black-box optimization methods.

We present LeMiCa, a training-free and efficient acceleration framework for diffusion-based video generation. While existing caching strategies primarily focus on reducing local heuristic errors, they often overlook the accumulation of global errors, leading to noticeable content degradation between accelerated and original videos. To address this issue, we formulate cache scheduling as a directed graph with error-weighted edges and introduce a Lexicographic Minimax Path Optimization strategy that explicitly bounds the worst-case path error. This approach substantially improves the consistency of global content and style across generated frames. Extensive experiments on multiple text-to-video benchmarks demonstrate that LeMiCa delivers dual improvements in both inference speed and generation quality. Notably, our method achieves a 2.9x speedup on the Latte model and reaches an LPIPS score of 0.05 on Open-Sora, outperforming prior caching techniques. Importantly, these gains come with minimal perceptual quality degradation, making LeMiCa a robust and generalizable paradigm for accelerating diffusion-based video generation. We believe this approach can serve as a strong foundation for future research on efficient and reliable video synthesis. Our code is available at :https://github.com/UnicomAI/LeMiCa

Reinforcement learning (RL) has become a promising paradigm for optimizing Retrieval-Augmented Generation (RAG) in complex reasoning tasks. However, traditional outcome-based RL approaches often suffer from reward sparsity and inefficient credit assignment, as coarse-grained scalar rewards fail to identify specific erroneous steps within long-horizon trajectories. This ambiguity frequently leads to "process hallucinations", where models reach correct answers through flawed logic or redundant retrieval steps. Although recent process-aware approaches attempt to mitigate this via static preference learning or heuristic reward shaping, they often lack the on-policy exploration capabilities required to decouple step-level credit from global outcomes. To address these challenges, we propose ProRAG, a process-supervised reinforcement learning framework designed to integrate learned step-level supervision into the online optimization loop. Our framework consists of four stages: (1) Supervised Policy Warmup to initialize the model with a structured reasoning format; (2) construction of an MCTS-based Process Reward Model (PRM) to quantify intermediate reasoning quality; (3) PRM-Guided Reasoning Refinement to align the policy with fine-grained process preferences; and (4) Process-Supervised Reinforcement Learning with a dual-granularity advantage mechanism. By aggregating step-level process rewards with global outcome signals, ProRAG provides precise feedback for every action. Extensive experiments on five multi-hop reasoning benchmarks demonstrate that ProRAG achieves superior overall performance compared to strong outcome-based and process-aware RL baselines, particularly on complex long-horizon tasks, validating the effectiveness of fine-grained process supervision. The code and model are available at https://github.com/lilinwz/ProRAG.

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

Large Language Models (LLMs) exhibit hallucinations in knowledge-intensive tasks. Graph-based retrieval augmented generation (RAG) has emerged as a promising solution, yet existing approaches suffer from fundamental recall and precision limitations when operating over black-box knowledge graphs -- graphs whose schema and structure are unknown in advance. We identify three core challenges that cause recall loss (semantic instantiation uncertainty and structural path uncertainty) and precision loss (evidential comparison uncertainty). To address these challenges, we formalize the retrieval task as the Optimal Informative Subgraph Retrieval (OISR) problem -- a variant of Group Steiner Tree -- and prove it to be NP-hard and APX-hard. We propose BubbleRAG, a training-free pipeline that systematically optimizes for both recall and precision through semantic anchor grouping, heuristic bubble expansion to discover candidate evidence graphs (CEGs), composite ranking, and reasoning-aware expansion. Experiments on multi-hop QA benchmarks demonstrate that BubbleRAG achieves state-of-the-art results, outperforming strong baselines in both F1 and accuracy while remaining plug-and-play.

Recent advancements in video generation have witnessed significant progress, especially with the rapid advancement of diffusion models. Despite this, their deficiencies in physical cognition have gradually received widespread attention - generated content often violates the fundamental laws of physics, falling into the dilemma of ''visual realism but physical absurdity". Researchers began to increasingly recognize the importance of physical fidelity in video generation and attempted to integrate heuristic physical cognition such as motion representations and physical knowledge into generative systems to simulate real-world dynamic scenarios. Considering the lack of a systematic overview in this field, this survey aims to provide a comprehensive summary of architecture designs and their applications to fill this gap. Specifically, we discuss and organize the evolutionary process of physical cognition in video generation from a cognitive science perspective, while proposing a three-tier taxonomy: 1) basic schema perception for generation, 2) passive cognition of physical knowledge for generation, and 3) active cognition for world simulation, encompassing state-of-the-art methods, classical paradigms, and benchmarks. Subsequently, we emphasize the inherent key challenges in this domain and delineate potential pathways for future research, contributing to advancing the frontiers of discussion in both academia and industry. Through structured review and interdisciplinary analysis, this survey aims to provide directional guidance for developing interpretable, controllable, and physically consistent video generation paradigms, thereby propelling generative models from the stage of ''visual mimicry'' towards a new phase of ''human-like physical comprehension''.

The advancement of large language models (LLMs) is critically dependent on the availability of high-quality datasets for Supervised Fine-Tuning (SFT), alignment tasks like Direct Preference Optimization (DPO), etc. In this work, we present a comprehensive synthetic data generation framework that facilitates scalable, configurable, and high-fidelity generation of synthetic data tailored for these training paradigms. Our approach employs a modular and configuration-based pipeline capable of modeling complex dialogue flows with minimal manual intervention. This framework uses a dual-stage quality tagging mechanism, combining heuristic rules and LLM-based evaluations, to automatically filter and score data extracted from OASST-formatted conversations, ensuring the curation of high-quality dialogue samples. The resulting datasets are structured under a flexible schema supporting both SFT and DPO use cases, enabling seamless integration into diverse training workflows. Together, these innovations offer a robust solution for generating and managing synthetic conversational data at scale, significantly reducing the overhead of data preparation in LLM training pipelines.

Chart-to-code generation demands strict visual precision and syntactic correctness from Vision-Language Models (VLMs). However, existing approaches are fundamentally constrained by data-centric limitations: despite the availability of growing chart-to-code datasets, simply scaling homogeneous chart-code pairs conflates visual perception with program logic, preventing models from fully leveraging the richness of multimodal supervision. We present CharTide, a novel data-centric framework that systematically redesigns both training and alignment data for chart-to-code generation. First, we construct a 2M-sample dataset via a Tri-Perspective Tuning strategy, explicitly decoupling training into visual perception, pure-text code logic, and modality fusion streams, enabling a 7B model to surpass specialized baselines using only supervised data. Second, we reformulate alignment as a data verification problem rather than a heuristic scoring task. To this end, we introduce an Inquiry-Driven RL framework grounded in the principle of information invariance: a downstream model should yield consistent answers to identical visual queries across both original and generated charts. Moving beyond rigid rule matching or VLM scoring, we employ a frozen Inspector to objectively verify generated charts through atomic QA tasks, providing verifiable reward signals based on answer accuracy. Experiments on ChartMimic, Plot2Code, and ChartX show that CharTide-7B/8B significantly outperforms open-source baselines, surpasses GPT-4o, and is competitive with GPT-5.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

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

Thinking aloud is an effective meta-cognitive strategy human reasoners apply to solve difficult problems. We suggest to improve the reasoning ability of pre-trained neural language models in a similar way, namely by expanding a task's context with problem elaborations that are dynamically generated by the language model itself. Our main result is that dynamic problem elaboration significantly improves the zero-shot performance of GPT-2 in a deductive reasoning and natural language inference task: While the model uses a syntactic heuristic for predicting an answer, it is capable (to some degree) of generating reasoned additional context which facilitates the successful application of its heuristic. We explore different ways of generating elaborations, including fewshot learning, and find that their relative performance varies with the specific problem characteristics (such as problem difficulty). Moreover, the effectiveness of an elaboration can be explained in terms of the degree to which the elaboration semantically coheres with the corresponding problem. In particular, elaborations that are most faithful to the original problem description may boost accuracy by up to 24%.

Recent advancements in aligning large language models via reinforcement learning have achieved remarkable gains in solving complex reasoning problems, but at the cost of expensive on-policy rollouts and limited exploration of diverse reasoning paths. In this work, we introduce TreePO, involving a self-guided rollout algorithm that views sequence generation as a tree-structured searching process. Composed of dynamic tree sampling policy and fixed-length segment decoding, TreePO leverages local uncertainty to warrant additional branches. By amortizing computation across common prefixes and pruning low-value paths early, TreePO essentially reduces the per-update compute burden while preserving or enhancing exploration diversity. Key contributions include: (1) a segment-wise sampling algorithm that alleviates the KV cache burden through contiguous segments and spawns new branches along with an early-stop mechanism; (2) a tree-based segment-level advantage estimation that considers both global and local proximal policy optimization. and (3) analysis on the effectiveness of probability and quality-driven dynamic divergence and fallback strategy. We empirically validate the performance gain of TreePO on a set reasoning benchmarks and the efficiency saving of GPU hours from 22\% up to 43\% of the sampling design for the trained models, meanwhile showing up to 40\% reduction at trajectory-level and 35\% at token-level sampling compute for the existing models. While offering a free lunch of inference efficiency, TreePO reveals a practical path toward scaling RL-based post-training with fewer samples and less compute. Home page locates at https://m-a-p.ai/TreePO.

We present Echo Infinity, an autoregressive (AR) framework towards real-time infinite video generation that employs a learnable evolving memory to dynamically filter, abstract, and compress any-length history at constant cost. Existing methods mainly curate memory with predefined KV-cache schedules, fixed-ratio heuristic compression, or inference-time RoPE adaptation. These designs inevitably lose historical information and amplify compounding errors due to their limited cache window and ignorance of autoregressive generation noise. Inspired by human memory consolidation, Echo-Infinity replaces handcrafted memory curation with learnable Memory Query, which are updated by attention and a gating mechanism when past frames are evicted from the local window. The queries are optimized end-to-end with the video diffusion transformers (DiTs), forming an evolving memory that supports arbitrary compression ratios with constant computation independent of video length. They also act as a generalizable generation prior, improving quality even when only the optimized initial state is used. We further introduce Unified Relative RoPE Recipe, which anchors the sink frames to start from id 0 and lets the newest frame id grow at most to the DiTs' pretrained maximum temporal RoPE id throughout training and inference, freeing the model from the finite RoPE constraint and closing the train-test RoPE extrapolation gap. In long and short video generation, Echo-Infinity achieves state-of-the-art performance, and, to our knowledge, demonstrates promising 24-hour (>1.3 M frames) real-time rollouts for the first time, suggesting a practical path toward infinite video generation.

Large reasoning models achieve strong performance on complex tasks through long chain-of-thought (CoT) trajectories, but directly transferring such reasoning processes to smaller models remains challenging. A key difficulty is that not all teacher-generated reasoning trajectories are suitable for student learning. Existing approaches typically rely on post-hoc filtering, selecting trajectories after full generation based on heuristic criteria. However, such methods cannot control the generation process itself and may still produce reasoning paths that lie outside the student's learning capacity. To address this limitation, we propose Gen-SSD (Generation-time Self-Selection Distillation), a student-in-the-loop framework that performs generation-time selection. Instead of passively consuming complete trajectories, the student evaluates candidate continuations during the teacher's sampling process, guiding the expansion of only learnable reasoning paths and enabling early pruning of unhelpful branches. Experiments on mathematical reasoning benchmarks demonstrate that Gen-SSD consistently outperforms standard knowledge distillation and recent baselines, with improvements of around 5.9 points over Standard KD and up to 4.7 points over other baselines. Further analysis shows that Gen-SSD produces more stable and learnable reasoning trajectories, highlighting the importance of incorporating supervision during generation for effective distillation.

Recent work finds that retrieval-augmented generation with large language models is prone to be influenced by the order of retrieved documents in the context. However, the lack of in-depth analysis limits the use of this phenomenon for prompt engineering in practice. In this study, we posit that likelihoods serve as an effective gauge for language model performance. Through experiments on two question-answering datasets with a variety of state-of-the-art language models, we reveal correlations between answer accuracy and the likelihood of the question at both the corpus level and the instance level. In addition, we find that question likelihood can also indicate the position of the task-relevant information in the context. Based on these findings, we propose two methods that use question likelihood as a gauge for selecting and constructing prompts that lead to better performance. We demonstrate their effectiveness with experiments. In addition, our likelihood-based methods are efficient, as they only need to compute the likelihood of the input, requiring much fewer language model passes than heuristic prompt engineering methods that require generating responses. Our analysis deepens our understanding of how input prompts affect model performance and provides a promising direction for efficient prompt optimization.

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.

Stealing attacks pose a persistent threat to the intellectual property of deployed machine-learning systems. Retrieval-augmented generation (RAG) intensifies this risk by extending the attack surface beyond model weights to knowledge base that often contains IP-bearing assets such as proprietary runbooks, curated domain collections, or licensed documents. Recent work shows that multi-turn questioning can gradually steal corpus content from RAG systems, yet existing attacks are largely heuristic and often plateau early. We address this gap by formulating RAG knowledge-base stealing as an adaptive stochastic coverage problem (ASCP), where each query is a stochastic action and the goal is to maximize the conditional expected marginal gain (CMG) in corpus coverage under a query budget. Bridging ASCP to real-world black-box RAG knowledge-base stealing raises three challenges: CMG is unobservable, the natural-language action space is intractably large, and feasibility constraints require stealthy queries that remain effective under diverse architectures. We introduce RAGCrawler, a knowledge graph-guided attacker that maintains a global attacker-side state to estimate coverage gains, schedule high-value semantic anchors, and generate non-redundant natural queries. Across four corpora and four generators with BGE retriever, RAGCrawler achieves 66.8% average coverage (up to 84.4%) within 1,000 queries, improving coverage by 44.90% relative to the strongest baseline. It also reduces the queries needed to reach 70% coverage by at least 4.03x on average and enables surrogate reconstruction with answer similarity up to 0.699. Our attack is also scalable to retriever switching and newer RAG techniques like query rewriting and multi-query retrieval. These results highlight urgent needs to protect RAG knowledge assets.

Large language models (LLMs), despite their impressive performance across a wide range of tasks, often struggle to balance two competing objectives in open-ended text generation: fostering diversity and creativity while preserving logical coherence. Existing truncated sampling techniques, including temperature scaling, top-\p (nucleus) sampling, and min-\p sampling, aim to manage this trade-off. However, they exhibit limitations, particularly in the effective incorporation of the confidence of the model into the corresponding sampling strategy. For example, min-\p sampling relies on a single top token as a heuristic for confidence, eventually underutilizing the information of the probability distribution. Toward effective incorporation of the confidence of the model, in this paper, we present **top-H** decoding. We first establish the theoretical foundation of the interplay between creativity and coherence in truncated sampling by formulating an **entropy-constrained minimum divergence** problem. We then prove this minimization problem to be equivalent to an **entropy-constrained mass maximization** (ECMM) problem, which is NP-hard. Finally, we present top-H decoding, a computationally efficient greedy algorithm to solve the ECMM problem. Extensive empirical evaluations demonstrate that top-H outperforms the state-of-the-art (SoTA) alternative of min-\p sampling by up to **25.63%** on creative writing benchmarks, while maintaining robustness on question-answering datasets such as GPQA, GSM8K, and MT-Bench. Additionally, an *LLM-as-judge* evaluation confirms that top-H indeed produces coherent outputs even at higher temperatures, where creativity is especially critical. In summary, top-H advances SoTA in open-ended text generation and can be *easily integrated* into creative writing applications. The code is available at https://github.com/ErfanBaghaei/Top-H-Decoding.

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.

Customizing LLMs for a specific task involves separating high-quality responses from lower-quality ones. This skill can be developed using supervised fine-tuning with extensive human preference data. However, obtaining a large volume of expert-annotated data is costly for most tasks. In this paper, we explore a novel method to optimize LLMs using ranking metrics. This method trains the model to prioritize the best responses from a pool of candidates created for a particular task. Rather than a traditional full ordering, we advocate for a partial ordering, as achieving consensus on the perfect order of candidate responses can be challenging. Our partial ordering is more robust, less sensitive to noise, and can be achieved with limited human annotations or through heuristic methods. We test our system's improved response generation ability using benchmark datasets, including textual entailment and multi-document question answering. We conduct ablation studies to understand crucial factors, such as how to gather candidate responses for a specific task, determine their most suitable order, and balance supervised fine-tuning with ranking metrics. Our approach, named Rescue, offers a promising avenue for enhancing the response generation and task accuracy of LLMs.

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of applications, e.g., medical question-answering, mathematical sciences, and code generation. However, they also exhibit inherent limitations, such as outdated knowledge and susceptibility to hallucinations. Retrieval-Augmented Generation (RAG) has emerged as a promising paradigm to address these issues, but it also introduces new vulnerabilities. Recent efforts have focused on the security of RAG-based LLMs, yet existing attack methods face three critical challenges: (1) their effectiveness declines sharply when only a limited number of poisoned texts can be injected into the knowledge database, (2) they lack sufficient stealth, as the attacks are often detectable by anomaly detection systems, which compromises their effectiveness, and (3) they rely on heuristic approaches to generate poisoned texts, lacking formal optimization frameworks and theoretic guarantees, which limits their effectiveness and applicability. To address these issues, we propose coordinated Prompt-RAG attack (PR-attack), a novel optimization-driven attack that introduces a small number of poisoned texts into the knowledge database while embedding a backdoor trigger within the prompt. When activated, the trigger causes the LLM to generate pre-designed responses to targeted queries, while maintaining normal behavior in other contexts. This ensures both high effectiveness and stealth. We formulate the attack generation process as a bilevel optimization problem leveraging a principled optimization framework to develop optimal poisoned texts and triggers. Extensive experiments across diverse LLMs and datasets demonstrate the effectiveness of PR-Attack, achieving a high attack success rate even with a limited number of poisoned texts and significantly improved stealth compared to existing methods.

In Retrieval-Augmented Generation applications, the Information Retrieval part is central as it provides the contextual information that enables a Large Language Model to generate an appropriate and truthful response. High quality parsing and chunking are critical as efficient data segmentation directly impacts downstream tasks, i.e. Information Retrieval and answer generation. In this paper, we introduce ChunkNorris, a novel heuristic-based technique designed to optimise the parsing and chunking of PDF documents. Our approach does not rely on machine learning and employs a suite of simple yet effective heuristics to achieve high performance with minimal computational overhead. We demonstrate the efficiency of ChunkNorris through a comprehensive benchmark against existing parsing and chunking methods, evaluating criteria such as execution time, energy consumption, and retrieval accuracy. We propose an open-access dataset to produce our results. ChunkNorris outperforms baseline and more advanced techniques, offering a practical and efficient alternative for Information Retrieval tasks. Therefore, this research highlights the potential of heuristic-based methods for real-world, resource-constrained RAG use cases.

The advent of large language models (LLMs) has transformed information access and reasoning through open-ended natural language interaction. However, LLMs remain limited by static knowledge, factual hallucinations, and the inability to retrieve real-time or domain-specific information. Retrieval-Augmented Generation (RAG) mitigates these issues by grounding model outputs in external evidence, but traditional RAG pipelines are often single turn and heuristic, lacking adaptive control over retrieval and reasoning. Recent advances in agentic search address these limitations by enabling LLMs to plan, retrieve, and reflect through multi-step interaction with search environments. Within this paradigm, reinforcement learning (RL) offers a powerful mechanism for adaptive and self-improving search behavior. This survey provides the first comprehensive overview of RL-based agentic search, organizing the emerging field along three complementary dimensions: (i) What RL is for (functional roles), (ii) How RL is used (optimization strategies), and (iii) Where RL is applied (scope of optimization). We summarize representative methods, evaluation protocols, and applications, and discuss open challenges and future directions toward building reliable and scalable RL driven agentic search systems. We hope this survey will inspire future research on the integration of RL and agentic search. Our repository is available at https://github.com/ventr1c/Awesome-RL-based-Agentic-Search-Papers.

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.

Masked diffusion language models (MDLMs) offer the potential for parallel token generation, but most open-source MDLMs decode fewer than 5 tokens per model forward pass even with sophisticated sampling strategies. As a result, their sampling speeds are often comparable to AR + speculative decoding schemes, limiting their advantage over mainstream autoregressive approaches. Existing distillation-based accelerators (dParallel, d3LLM) finetune MDLMs on trajectories generated by a base model, which can become off-policy during finetuning and restrict performance to the quality of the base model's samples. We propose dUltra, an on-policy reinforcement learning framework based on Group Relative Policy Optimization (GRPO) that learns unmasking strategies for efficient parallel decoding. dUltra introduces an unmasking planner head that predicts per-token unmasking likelihoods under independent Bernoulli distributions. We jointly optimize the base diffusion LLM and the unmasking order planner using reward signals combining verifiable reward, distillation reward, and the number of unmasking steps. Across mathematical reasoning and code generation tasks, dUltra improves the accuracy--efficiency trade-off over state-of-the-art heuristic and distillation baselines, moving towards achieving ``diffusion supremacy'' over autoregressive models.

Accurate pain expression synthesis is essential for improving clinical training and human-robot interaction. Current Robotic Patient Simulators (RPSs) lack realistic pain facial expressions, limiting their effectiveness in medical training. In this work, we introduce PainDiffusion, a generative model that synthesizes naturalistic facial pain expressions. Unlike traditional heuristic or autoregressive methods, PainDiffusion operates in a continuous latent space, ensuring smoother and more natural facial motion while supporting indefinite-length generation via diffusion forcing. Our approach incorporates intrinsic characteristics such as pain expressiveness and emotion, allowing for personalized and controllable pain expression synthesis. We train and evaluate our model using the BioVid HeatPain Database. Additionally, we integrate PainDiffusion into a robotic system to assess its applicability in real-time rehabilitation exercises. Qualitative studies with clinicians reveal that PainDiffusion produces realistic pain expressions, with a 31.2% (std 4.8%) preference rate against ground-truth recordings. Our results suggest that PainDiffusion can serve as a viable alternative to real patients in clinical training and simulation, bridging the gap between synthetic and naturalistic pain expression. Code and videos are available at: https://damtien444.github.io/paindf/

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.

Conditional diffusion models have shown remarkable success in visual content generation, producing high-quality samples across various domains, largely due to classifier-free guidance (CFG). Recent attempts to extend guidance to unconditional models have relied on heuristic techniques, resulting in suboptimal generation quality and unintended effects. In this work, we propose Smoothed Energy Guidance (SEG), a novel training- and condition-free approach that leverages the energy-based perspective of the self-attention mechanism to enhance image generation. By defining the energy of self-attention, we introduce a method to reduce the curvature of the energy landscape of attention and use the output as the unconditional prediction. Practically, we control the curvature of the energy landscape by adjusting the Gaussian kernel parameter while keeping the guidance scale parameter fixed. Additionally, we present a query blurring method that is equivalent to blurring the entire attention weights without incurring quadratic complexity in the number of tokens. In our experiments, SEG achieves a Pareto improvement in both quality and the reduction of side effects. The code is available at https://github.com/SusungHong/SEG-SDXL.

Dense retrieval models are commonly used in Information Retrieval (IR) applications, such as Retrieval-Augmented Generation (RAG). Since they often serve as the first step in these systems, their robustness is critical to avoid failures. In this work, by repurposing a relation extraction dataset (e.g. Re-DocRED), we design controlled experiments to quantify the impact of heuristic biases, such as favoring shorter documents, in retrievers like Dragon+ and Contriever. Our findings reveal significant vulnerabilities: retrievers often rely on superficial patterns like over-prioritizing document beginnings, shorter documents, repeated entities, and literal matches. Additionally, they tend to overlook whether the document contains the query's answer, lacking deep semantic understanding. Notably, when multiple biases combine, models exhibit catastrophic performance degradation, selecting the answer-containing document in less than 3% of cases over a biased document without the answer. Furthermore, we show that these biases have direct consequences for downstream applications like RAG, where retrieval-preferred documents can mislead LLMs, resulting in a 34% performance drop than not providing any documents at all.

We introduce NExT-QA, a rigorously designed video question answering (VideoQA) benchmark to advance video understanding from describing to explaining the temporal actions. Based on the dataset, we set up multi-choice and open-ended QA tasks targeting causal action reasoning, temporal action reasoning, and common scene comprehension. Through extensive analysis of baselines and established VideoQA techniques, we find that top-performing methods excel at shallow scene descriptions but are weak in causal and temporal action reasoning. Furthermore, the models that are effective on multi-choice QA, when adapted to open-ended QA, still struggle in generalizing the answers. This raises doubt on the ability of these models to reason and highlights possibilities for improvement. With detailed results for different question types and heuristic observations for future works, we hope NExT-QA will guide the next generation of VQA research to go beyond superficial scene description towards a deeper understanding of videos. (The dataset and related resources are available at https://github.com/doc-doc/NExT-QA.git)

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive a simple path existence criterion that predicts exactly when collapse occurs from noise schedules and exponents alone. Second, we introduce Adaptive path Correction with Exponents (ACE), which extends Feynman-Kac steering to time-varying exponents and guarantees a valid probability path. On a synthetic 2D benchmark and on flexible-pose scaffold decoration, ACE eliminates collapse and enables high-guidance compositional generation, improving distributional and docking metrics over constant-exponent baselines and even specialized task-specific scaffold decoration models. Our work turns ratio-of-densities steering with heterogeneous experts from an unstable heuristic into a reliable tool for controllable generation.

Metric-induced discrete flow matching (MI-DFM) exploits token-latent geometry for discrete generation, but its practical use is limited by two issues: heuristic schedulers requiring hyperparameter search, and finite-step path-tracking error from its first-order continuous-time Markov chain (CTMC) solver. We address both issues. First, we derive a kinetic-optimal scheduler for prescribed scalar-parameterized probability paths, and instantiate it for MI-DFM as a training-free numerical schedule that traverses the path at constant Fisher-Rao speed. Second, we introduce a finite-step moment correction that adjusts the jump probability while preserving the CTMC jump destination distribution. We validate the resulting method, GibbsTTS, on codec-based zero-shot text-to-speech (TTS). Under controlled comparisons with a unified architecture and large-scale dataset, GibbsTTS achieves the best objective naturalness and is preferred in subjective evaluations over masked discrete generative baselines. Additionally, in comparison with the evaluated state-of-the-art TTS systems, GibbsTTS shows strong speaker similarity, achieving the highest similarity on three of four test sets and ranking second on the fourth. Project page: https://ydqmkkx.github.io/GibbsTTSProject

High-resolution (HR) image perception remains a key challenge in multimodal large language models (MLLMs). To overcome the limitations of existing methods, this paper shifts away from prior dedicated heuristic approaches and revisits the most fundamental idea to HR perception by enhancing the long-context capability of MLLMs, driven by recent advances in long-context techniques like retrieval-augmented generation (RAG) for general LLMs. Towards this end, this paper presents the first study exploring the use of RAG to address HR perception challenges. Specifically, we propose Retrieval-Augmented Perception (RAP), a training-free framework that retrieves and fuses relevant image crops while preserving spatial context using the proposed Spatial-Awareness Layout. To accommodate different tasks, the proposed Retrieved-Exploration Search (RE-Search) dynamically selects the optimal number of crops based on model confidence and retrieval scores. Experimental results on HR benchmarks demonstrate the significant effectiveness of RAP, with LLaVA-v1.5-13B achieving a 43% improvement on V^* Bench and 19% on HR-Bench.

Video generation is pivotal to digital media creation, and recent advances in autoregressive video generation have markedly enhanced the efficiency of real-time video synthesis. However, existing approaches generally rely on heuristic KV Cache policies, which ignore differences in token importance in long-term video generation. This leads to the loss of critical spatiotemporal information and the accumulation of redundant, invalid cache, thereby degrading video generation quality and efficiency. To address this limitation, we first observe that token contributions to video generation are highly time-heterogeneous and accordingly propose a novel Past- and Future-Informed KV Cache Policy (PaFu-KV). Specifically, PaFu-KV introduces a lightweight Salience Estimation Head distilled from a bidirectional teacher to estimate salience scores, allowing the KV cache to retain informative tokens while discarding less relevant ones. This policy yields a better quality-efficiency trade-off by shrinking KV cache capacity and reducing memory footprint at inference time. Extensive experiments on benchmarks demonstrate that our method preserves high-fidelity video generation quality while enables accelerated inference, thereby enabling more efficient long-horizon video generation. Our code will be released upon paper acceptance.

Diffusion large language models promise faster generation by refining many token positions in parallel, but this parallelism introduces a hidden control problem: which proposed tokens should be transferred into the partially decoded sequence at each step? We refer to this decision as token commitment. Existing frozen-generator decoders largely rely on hand-designed confidence rules or block-specific acceptance filters. We argue that token commitment can instead be learned as a reusable trace-state policy. We introduce TraceLock, a lightweight plug-in controller that instantiates this policy for a frozen diffusion language model. Since oracle commitment times are unavailable, TraceLock derives self-supervision from future stability: at decoding step t, a proposed token for position i is labeled stable if it matches the final token at position i after the full decoding trace completes. The controller scores variable-length trace states and decides which active token proposals should be committed to the partially decoded sequence. Once trained for a given frozen backbone, the controller can be deployed across local-window widths, generation lengths, and step budgets without retraining or per-setting calibration. Experiments on question answering, mathematical reasoning, and code generation show that TraceLock improves the quality-step tradeoff over heuristic and learned baselines, with particularly stable behavior under cross-setting deployment. Diagnostic analyses show that its decisions are not reducible to scalar confidence, suggesting that frozen diffusion language models expose a learnable space of commitment trajectories beyond confidence-based decoding. Code is available at https://github.com/BobSun98/TraceLock.

Large language model (LLM) agents frequently fail on multi-step tasks involving reasoning, tool use, and environment interaction. While such failures are typically logged or retried heuristically, they contain structured signals about where execution broke down. We introduce CausalFlow, an interventional framework that converts failed agent traces into minimal counterfactual repairs and reusable supervision. CausalFlow models execution traces as sequential chains of dependent steps and computes Causal Responsibility Scores(CRS) via step-level counterfactual intervention to identify failure-inducing steps. For these steps, we generate minimally edited repairs that flip the final outcome to success, producing validated contrastive pairs of the form (wrong step, corrected step). CausalFlow supports two complementary uses: targeted test-time repair that recovers from failures with minimal behavioral drift, and training-time supervision suitable for offline preference optimization or reward modeling. Across four benchmarks spanning mathematical reasoning, code generation, question answering, and medical browsing, CausalFlow converts failed executions into validated minimal repairs with high minimality and causal-consensus scores, and demonstrates that causal attribution is necessary for reliable improvement across diverse agent tasks, outperforming heuristic refinement in complex retrieval settings while producing more localized repairs throughout. These results demonstrate that interventional analysis over structured execution traces provides a principled and scalable mechanism for transforming agent failures into reliability gains and learning-ready supervision.

Spiking Neural Networks (SNNs) offer energy-efficient, biologically plausible computation but suffer from non-differentiable spike generation, necessitating reliance on heuristic surrogate gradients. This paper introduces UltraLIF, a principled framework that replaces surrogate gradients with ultradiscretization, a mathematical formalism from tropical geometry providing continuous relaxations of discrete dynamics. The central insight is that the max-plus semiring underlying ultradiscretization naturally models neural threshold dynamics: the log-sum-exp function serves as a differentiable soft-maximum that converges to hard thresholding as a learnable temperature parameter eps to 0. Two neuron models are derived from distinct dynamical systems: UltraLIF from the LIF ordinary differential equation (temporal dynamics) and UltraDLIF from the diffusion equation modeling gap junction coupling across neuronal populations (spatial dynamics). Both yield fully differentiable SNNs trainable via standard backpropagation with no forward-backward mismatch. Theoretical analysis establishes pointwise convergence to classical LIF dynamics with quantitative error bounds and bounded non-vanishing gradients. Experiments on six benchmarks spanning static images, neuromorphic vision, and audio demonstrate improvements over surrogate gradient baselines, with gains most pronounced in single-timestep (T{=}1) settings on neuromorphic and temporal datasets. An optional sparsity penalty enables significant energy reduction while maintaining competitive accuracy.

Large Language Models (LLMs) have achieved remarkable success across diverse tasks, yet they remain vulnerable to adversarial attacks, notably the well-known jailbreak attack. In particular, the Greedy Coordinate Gradient (GCG) attack has demonstrated efficacy in exploiting this vulnerability by optimizing adversarial prompts through a combination of gradient heuristics and greedy search. However, the efficiency of this attack has become a bottleneck in the attacking process. To mitigate this limitation, in this paper we rethink the generation of the adversarial prompts through an optimization lens, aiming to stabilize the optimization process and harness more heuristic insights from previous optimization iterations. Specifically, we propose the Momentum Accelerated GCG (MAC) attack, which integrates a momentum term into the gradient heuristic to boost and stabilize the random search for tokens in adversarial prompts. Experimental results showcase the notable enhancement achieved by MAC over baselines in terms of attack success rate and optimization efficiency. Moreover, we demonstrate that MAC can still exhibit superior performance for transfer attacks and models under defense mechanisms. Our code is available at https://github.com/weizeming/momentum-attack-llm.

The groundbreaking advance in materials and chemical research has been driven by the development of atomistic simulations. However, the broader applicability of the atomistic simulations remains restricted, as they inherently depend on energy models that are either inaccurate or computationally prohibitive. Machine learning interatomic potentials (MLIPs) have recently emerged as a promising class of energy models, but their deployment remains challenging due to the lack of systematic protocols for generating diverse training data. Here we automate the construction of training datasets to enable the development of general-purpose MLIPs, by introducing GAIA, an end-to-end framework to build a wide range of atomic arrangements. By employing systematic evaluation of metadynamics for effective structural exploration, GAIA overcomes the heuristic nature of conventional dataset generation. Using GAIA, we constructed Titan25, a benchmark-scale dataset, and trained MLIPs that closely match both static and dynamic density functional theory results. The models further reproduce experimental observations across reactive regimes, including detonation, coalescence, and catalytic activity. GAIA narrows the gap between experiment and simulation, and paves the way for the development of universal MLIPs that can reliably describe a wide spectrum of materials and chemical processes.

This paper describes our submission for the End-to-end Multi-domain Task Completion Dialog shared task at the 9th Dialog System Technology Challenge (DSTC-9). Participants in the shared task build an end-to-end task completion dialog system which is evaluated by human evaluation and a user simulator based automatic evaluation. Different from traditional pipelined approaches where modules are optimized individually and suffer from cascading failure, we propose an end-to-end dialog system that 1) uses Generative Pretraining 2 (GPT-2) as the backbone to jointly solve Natural Language Understanding, Dialog State Tracking, and Natural Language Generation tasks, 2) adopts Domain and Task Adaptive Pretraining to tailor GPT-2 to the dialog domain before finetuning, 3) utilizes heuristic pre/post-processing rules that greatly simplify the prediction tasks and improve generalizability, and 4) equips a fault tolerance module to correct errors and inappropriate responses. Our proposed method significantly outperforms baselines and ties for first place in the official evaluation. We make our source code publicly available.

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.

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.

Constraint programming is known for being an efficient approach for solving combinatorial problems. Important design choices in a solver are the branching heuristics, which are designed to lead the search to the best solutions in a minimum amount of time. However, developing these heuristics is a time-consuming process that requires problem-specific expertise. This observation has motivated many efforts to use machine learning to automatically learn efficient heuristics without expert intervention. To the best of our knowledge, it is still an open research question. Although several generic variable-selection heuristics are available in the literature, the options for a generic value-selection heuristic are more scarce. In this paper, we propose to tackle this issue by introducing a generic learning procedure that can be used to obtain a value-selection heuristic inside a constraint programming solver. This has been achieved thanks to the combination of a deep Q-learning algorithm, a tailored reward signal, and a heterogeneous graph neural network architecture. Experiments on graph coloring, maximum independent set, and maximum cut problems show that our framework is able to find better solutions close to optimality without requiring a large amounts of backtracks while being generic.

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.

Since the adoption of large language models (LLMs) for text evaluation has become increasingly prevalent in the field of natural language processing (NLP), a series of existing works attempt to optimize the prompts for LLM evaluators to improve their alignment with human judgment. However, their efforts are limited to optimizing individual factors of evaluation prompts, such as evaluation criteria or output formats, neglecting the combinatorial impact of multiple factors, which leads to insufficient optimization of the evaluation pipeline. Nevertheless, identifying well-behaved prompting strategies for adjusting multiple factors requires extensive enumeration. To this end, we comprehensively integrate 8 key factors for evaluation prompts and propose a novel automatic prompting strategy optimization method called Heuristic Prompting Strategy Search (HPSS). Inspired by the genetic algorithm, HPSS conducts an iterative search to find well-behaved prompting strategies for LLM evaluators. A heuristic function is employed to guide the search process, enhancing the performance of our algorithm. Extensive experiments across four evaluation tasks demonstrate the effectiveness of HPSS, consistently outperforming both human-designed evaluation prompts and existing automatic prompt optimization methods. Our code is available at https://github.com/thu-coai/HPSS.

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

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.

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.

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.

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.

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting the search space to fixed heuristic forms. Such designs offer limited capacity for structural exploration, making it difficult to escape deep local optima in complex Combinatorial Optimization Problems (COPs). In this work, we propose G-LNS, a generative evolutionary framework that extends LLM-based AHD to the automated design of Large Neighborhood Search (LNS) operators. Unlike prior methods that evolve heuristics in isolation, G-LNS leverages LLMs to co-evolve tightly coupled pairs of destroy and repair operators. A cooperative evaluation mechanism explicitly captures their interaction, enabling the discovery of complementary operator logic that jointly performs effective structural disruption and reconstruction. Extensive experiments on challenging COP benchmarks, such as Traveling Salesman Problems (TSP) and Capacitated Vehicle Routing Problems (CVRP), demonstrate that G-LNS significantly outperforms LLM-based AHD methods as well as strong classical solvers. The discovered heuristics not only achieve near-optimal solutions with reduced computational budgets but also exhibit robust generalization across diverse and unseen instance distributions.

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.

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.

Investigating NLP through a philosophical lens has recently caught researcher's eyes as it connects computational methods with classical schools of philosophy. This paper introduces a philosophical approach inspired by the Hegelian Dialectic for LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and then synthesize new ideas by resolving the contradicting points. Moreover, this paper investigates the effect of LLMs' temperature for generation by establishing a dynamic annealing approach, which promotes the creativity in the early stages and gradually refines it by focusing on the nuances, as well as a fixed temperature strategy for generation. Our proposed approach is examined to determine its ability to generate novel ideas from an initial proposition. Additionally, a Multi Agent Majority Voting (MAMV) strategy is leveraged to assess the validity and novelty of the generated ideas, which proves beneficial in the absence of domain experts. Our experiments show promise in generating new ideas and provide a stepping stone for future research.

Finding optimal solution paths for combinatorial puzzles like the Rubik's Cube, sliding tile puzzles, and Lights Out remains a classical challenge in artificial intelligence. Heuristic search algorithms, such as A* , guarantee path optimality only when using an admissible heuristic-one that never overestimates the true remaining cost-to-go. Deep reinforcement learning (RL) methods like DeepCubeA train deep neural networks to approximate cost-to-go heuristics. However, standard mean-squared error (MSE) training regularly yields overestimations, violating admissibility and compromising solution optimality. In this paper, we introduce a generalizable framework for learning validation-calibrated admissible neural heuristics. We train a value network using an underestimating Admissible Bellman Operator combined with an Asymmetric Loss function to penalize overestimation. To account for residual neural function approximation errors, we propose a post-hoc calibration safety offset computed over validation scrambles. We demonstrate that our calibrated neural heuristics achieve no observed admissibility violations under the evaluation protocol and preserve path optimality in practice while reducing search node expansions by up to 83.0% on a 2 by 2 Rubik's Cube, 19.9% on a 3 by 3 Lights Out grid, and 1.9% on an 8-Puzzle compared to standard analytical baselines.

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.

Large language models systematically fail when a salient surface cue conflicts with an unstated feasibility constraint. We study this through a diagnose-measure-bridge-treat framework. Causal-behavioral analysis of the ``car wash problem'' across six models reveals approximately context-independent sigmoid heuristics: the distance cue exerts 8.7 to 38 times more influence than the goal, and token-level attribution shows patterns more consistent with keyword associations than compositional inference. The Heuristic Override Benchmark (HOB) -- 500 instances spanning 4 heuristic by 5 constraint families with minimal pairs and explicitness gradients -- demonstrates generality across 14 models: under strict evaluation (10/10 correct), no model exceeds 75%, and presence constraints are hardest (44%). A minimal hint (e.g., emphasizing the key object) recovers +15 pp on average, suggesting the failure lies in constraint inference rather than missing knowledge; 12/14 models perform worse when the constraint is removed (up to -39 pp), revealing conservative bias. Parametric probes confirm that the sigmoid pattern generalizes to cost, efficiency, and semantic-similarity heuristics; goal-decomposition prompting recovers +6 to 9 pp by forcing models to enumerate preconditions before answering. Together, these results characterize heuristic override as a systematic reasoning vulnerability and provide a benchmark for measuring progress toward resolving it.

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}

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.

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.

Large language models (LLMs) exhibit strong generative capabilities and have shown great potential in code generation. Existing chain-of-thought (CoT) prompting methods enhance model reasoning by eliciting intermediate steps, but suffer from two major limitations: First, their uniform application tends to induce overthinking on simple tasks. Second, they lack intention abstraction in code generation, such as explicitly modeling core algorithmic design and efficiency, leading models to focus on surface-level structures while neglecting the global problem objective. Inspired by the cognitive economy principle of engaging structured reasoning only when necessary to conserve cognitive resources, we propose RoutingGen, a novel difficulty-aware routing framework that dynamically adapts prompting strategies for code generation. For simple tasks, it adopts few-shot prompting; for more complex ones, it invokes a structured reasoning strategy, termed Intention Chain-of-Thought (ICoT), which we introduce to guide the model in capturing task intention, such as the core algorithmic logic and its time complexity. Experiments across three models and six standard code generation benchmarks show that RoutingGen achieves state-of-the-art performance in most settings, while reducing total token usage by 46.37% on average across settings. Furthermore, ICoT outperforms six existing prompting baselines on challenging benchmarks.

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.

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%.

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.

With recent advancements in large language models, methods like chain-of-thought prompting to elicit reasoning chains have been shown to improve results on reasoning tasks. However, tasks that require multiple steps of reasoning still pose significant challenges to state-of-the-art models. Drawing inspiration from the beam search algorithm, we propose PathFinder, a tree-search-based reasoning path generation approach. It enhances diverse branching and multi-hop reasoning through the integration of dynamic decoding, enabled by varying sampling methods and parameters. Using constrained reasoning, PathFinder integrates novel quality constraints, pruning, and exploration methods to enhance the efficiency and the quality of generation. Moreover, it includes scoring and ranking features to improve candidate selection. Our approach outperforms competitive baselines on three complex arithmetic and commonsense reasoning tasks by 6% on average. Our model generalizes well to longer, unseen reasoning chains, reflecting similar complexities to beam search with large branching factors.

A machine learning system can score well on a given test set by relying on heuristics that are effective for frequent example types but break down in more challenging cases. We study this issue within natural language inference (NLI), the task of determining whether one sentence entails another. We hypothesize that statistical NLI models may adopt three fallible syntactic heuristics: the lexical overlap heuristic, the subsequence heuristic, and the constituent heuristic. To determine whether models have adopted these heuristics, we introduce a controlled evaluation set called HANS (Heuristic Analysis for NLI Systems), which contains many examples where the heuristics fail. We find that models trained on MNLI, including BERT, a state-of-the-art model, perform very poorly on HANS, suggesting that they have indeed adopted these heuristics. We conclude that there is substantial room for improvement in NLI systems, and that the HANS dataset can motivate and measure progress in this area

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%.

Combinatorial and optimization problems are fundamental to many industrial AI applications. Solving large-scale real-world instances of such problems typically requires careful problem formalization, specialized solvers, and expert-designed heuristics. Thus, experts need to specify not only what solutions are, but also how they are derived. By introducing the tool CHECKMATE, we show that algorithm generation via code evolution represents a paradigm shift by eliminating the need to formulate the how. CHECKMATE solely relies on the what. Specifically, a formal specification ensures solutions' correctness and enables systematic performance evaluation of the generated programs, while a natural language description guides the evolutionary process. The effectiveness of our method is demonstrated on selected problems from two industrial domains: configuration and scheduling. In all cases, the evolved algorithms consistently outperform state-of-the-art solvers. This underscores the potential of formal methods in guiding code evolution for automatically solving complex real-world problems.

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.

Continual pre-training on small-scale task-specific data is an effective method for improving large language models in new target fields, yet it risks catastrophic forgetting of their original capabilities. A common solution is to re-weight training data mixtures from source and target fields on a domain space to achieve balanced performance. Previous domain reweighting strategies rely on manual designation with certain heuristics based on human intuition or empirical results. In this work, we prove that more general heuristics can be parameterized by proposing Data Mixing Agent, the first model-based, end-to-end framework that learns to re-weight domains. The agent learns generalizable heuristics through reinforcement learning on large quantities of data mixing trajectories with corresponding feedback from an evaluation environment. Experiments in continual pre-training on math reasoning show that Data Mixing Agent outperforms strong baselines in achieving balanced performance across source and target field benchmarks. Furthermore, it generalizes well across unseen source fields, target models, and domain spaces without retraining. Direct application to the code generation field also indicates its adaptability across target domains. Further analysis showcases the agents' well-aligned heuristics with human intuitions and their efficiency in achieving superior model performance with less source-field data.

Although large language models have demonstrated impressive ability in code generation, they are still struggling to address the complicated intent provided by humans. It is widely acknowledged that humans typically employ planning to decompose complex problems and schedule the solution steps prior to implementation. Thus we introduce planning into code generation to help the model understand complex intent and reduce the difficulty of problem solving. This paper proposes a self-planning code generation method with large language model, which consists of two phases, namely planning phase and implementation phase. Specifically, in the planning phase, the language model plans out the solution steps from the intent combined with in-context learning. Then it enters the implementation phase, where the model generates code step by step, guided by the solution steps. The effectiveness of self-planning code generation has been rigorously evaluated on multiple code generation datasets and the results have demonstrated a marked superiority over naive direct generation approaches with language model. The improvement in performance is substantial, highlighting the significance of self-planning in code generation tasks.

Reinforcement Learning with Verifiable Rewards (RLVR) has become a standard paradigm for reasoning in Large Language Models. However, optimizing solely for final-answer correctness often drives models into aimless, verbose exploration, where they rely on exhaustive trial-and-error tactics rather than structured planning to reach solutions. While heuristic constraints like length penalties can reduce verbosity, they often truncate essential reasoning steps, creating a difficult trade-off between efficiency and verification. In this paper, we argue that discriminative capability is a prerequisite for efficient generation: by learning to distinguish valid solutions, a model can internalize a guidance signal that prunes the search space. We propose JudgeRLVR, a two-stage judge-then-generate paradigm. In the first stage, we train the model to judge solution responses with verifiable answers. In the second stage, we fine-tune the same model with vanilla generating RLVR initialized from the judge. Compared to Vanilla RLVR using the same math-domain training data, JudgeRLVR achieves a better quality--efficiency trade-off for Qwen3-30B-A3B: on in-domain math, it delivers about +3.7 points average accuracy gain with -42\% average generation length; on out-of-domain benchmarks, it delivers about +4.5 points average accuracy improvement, demonstrating enhanced generalization.

Large Language Models (LLMs) have demonstrated a powerful ability for text generation. However, achieving optimal results with a given prompt or instruction can be challenging, especially for billion-sized models. Additionally, undesired behaviors such as toxicity or hallucinations can manifest. While much larger models (e.g., ChatGPT) may demonstrate strength in mitigating these issues, there is still no guarantee of complete prevention. In this work, we propose formalizing text generation as a future-constrained generation problem to minimize undesirable behaviors and enforce faithfulness to instructions. The estimation of future constraint satisfaction, accomplished using LLMs, guides the text generation process. Our extensive experiments demonstrate the effectiveness of the proposed approach across three distinct text generation tasks: keyword-constrained generation (Lin et al., 2020), toxicity reduction (Gehman et al., 2020), and factual correctness in question-answering (Gao et al., 2023).

Large Language Models (LLMs) have demonstrated significant potential in handling complex reasoning tasks through step-by-step rationale generation. However, recent studies have raised concerns regarding the hallucination and flaws in their reasoning process. Substantial efforts are being made to improve the reliability and faithfulness of the generated rationales. Some approaches model reasoning as planning, while others focus on annotating for process supervision. Nevertheless, the planning-based search process often results in high latency due to the frequent assessment of intermediate reasoning states and the extensive exploration space. Additionally, supervising the reasoning process with human annotation is costly and challenging to scale for LLM training. To address these issues, in this paper, we propose a framework to learn planning-based reasoning through direct preference optimization (DPO) on collected trajectories, which are ranked according to synthesized process rewards. Our results on challenging logical reasoning benchmarks demonstrate the effectiveness of our learning framework, showing that our 7B model can surpass the strong counterparts like GPT-3.5-Turbo.

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.

Large Language Models (LLMs) reasoning abilities are increasingly being applied to classical board and card games, but the dominant approach -- involving prompting for direct move generation -- has significant drawbacks. It relies on the model's implicit fragile pattern-matching capabilities, leading to frequent illegal moves and strategically shallow play. Here we introduce an alternative approach: We use the LLM to translate natural language rules and game trajectories into a formal, executable world model represented as Python code. This generated model -- comprising functions for state transition, legal move enumeration, and termination checks -- serves as a verifiable simulation engine for high-performance planning algorithms like Monte Carlo tree search (MCTS). In addition, we prompt the LLM to generate heuristic value functions (to make MCTS more efficient), and inference functions (to estimate hidden states in imperfect information games). Our method offers three distinct advantages compared to directly using the LLM as a policy: (1) Verifiability: The generated CWM serves as a formal specification of the game's rules, allowing planners to algorithmically enumerate valid actions and avoid illegal moves, contingent on the correctness of the synthesized model; (2) Strategic Depth: We combine LLM semantic understanding with the deep search power of classical planners; and (3) Generalization: We direct the LLM to focus on the meta-task of data-to-code translation, enabling it to adapt to new games more easily. We evaluate our agent on 10 different games, of which 4 are novel and created for this paper. 5 of the games are fully observed (perfect information), and 5 are partially observed (imperfect information). We find that our method outperforms or matches Gemini 2.5 Pro in 9 out of the 10 considered games.

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

Scientific innovation is pivotal for humanity, and harnessing large language models (LLMs) to generate research ideas could transform discovery. However, existing LLMs often produce simplistic and repetitive suggestions due to their limited ability in acquiring external knowledge for innovation. To address this problem, we introduce an enhanced planning and search methodology designed to boost the creative potential of LLM-based systems. Our approach involves an iterative process to purposely plan the retrieval of external knowledge, progressively enriching the idea generation with broader and deeper insights. Validation through automated and human assessments indicates that our framework substantially elevates the quality of generated ideas, particularly in novelty and diversity. The number of unique novel ideas produced by our framework is 3.4 times higher than without it. Moreover, our method outperforms the current state-of-the-art, generating at least 2.5 times more top-rated ideas based on 170 seed papers in a Swiss Tournament evaluation.

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.

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

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 achieved remarkable success in reasoning tasks with the development of prompting methods. However, existing prompting approaches cannot reuse insights of solving similar problems and suffer from accumulated errors in multi-step reasoning, since they prompt LLMs to reason from scratch. To address these issues, we propose \textit{Thought Propagation (TP)}, which explores the analogous problems and leverages their solutions to enhance the complex reasoning ability of LLMs. These analogous problems are related to the input one, with reusable solutions and problem-solving strategies. Thus, it is promising to propagate insights of solving previous analogous problems to inspire new problem-solving. To achieve this, TP first prompts LLMs to propose and solve a set of analogous problems that are related to the input one. Then, TP reuses the results of analogous problems to directly yield a new solution or derive a knowledge-intensive plan for execution to amend the initial solution obtained from scratch. TP is compatible with existing prompting approaches, allowing plug-and-play generalization and enhancement in a wide range of tasks without much labor in task-specific prompt engineering. Experiments across three challenging tasks demonstrate TP enjoys a substantial improvement over the baselines by an average of 12\% absolute increase in finding the optimal solutions in Shortest-path Reasoning, 13\% improvement of human preference in Creative Writing, and 15\% enhancement in the task completion rate of LLM-Agent Planning.

Reasoning remains a challenging task for large language models (LLMs), especially within the logically constrained environment of automated theorem proving (ATP), due to sparse rewards and the vast scale of proofs. These challenges are amplified in benchmarks like PutnamBench, which contains university-level problems requiring complex, multi-step reasoning. To address this, we introduce self-generated goal-conditioned MDPs (sG-MDPs), a new framework in which agents generate and pursue their subgoals based on the evolving proof state. Given this more structured generation of goals, the resulting problem becomes more amenable to search. We then apply Monte Carlo Tree Search (MCTS)-like algorithms to solve the sG-MDP, instantiating our approach in Bourbaki (7B), a modular system that can ensemble multiple 7B LLMs for subgoal generation and tactic synthesis. On PutnamBench, Bourbaki (7B) solves 26 problems, achieving new state-of-the-art results with models at this scale.

We present a new implementation of the LLM-driven genetic algorithm {\it funsearch}, whose aim is to generate examples of interest to mathematicians and which has already had some success in problems in extremal combinatorics. Our implementation is designed to be useful in practice for working mathematicians; it does not require expertise in machine learning or access to high-performance computing resources. Applying {\it funsearch} to a new problem involves modifying a small segment of Python code and selecting a large language model (LLM) from one of many third-party providers. We benchmarked our implementation on three different problems, obtaining metrics that may inform applications of {\it funsearch} to new problems. Our results demonstrate that {\it funsearch} successfully learns in a variety of combinatorial and number-theoretic settings, and in some contexts learns principles that generalize beyond the problem originally trained on.

A notion of quantum natural evolution strategies is introduced, which provides a geometric synthesis of a number of known quantum/classical algorithms for performing classical black-box optimization. Recent work of Gomes et al. [2019] on heuristic combinatorial optimization using neural quantum states is pedagogically reviewed in this context, emphasizing the connection with natural evolution strategies. The algorithmic framework is illustrated for approximate combinatorial optimization problems, and a systematic strategy is found for improving the approximation ratios. In particular it is found that natural evolution strategies can achieve approximation ratios competitive with widely used heuristic algorithms for Max-Cut, at the expense of increased computation time.

In this study, we investigate in-context learning (ICL) in document-level event argument extraction (EAE) to alleviate the dependency on large-scale labeled data for this task. We introduce the Heuristic-Driven Link-of-Analogy (HD-LoA) prompting to address the challenge of example selection and to develop a prompting strategy tailored for EAE. Specifically, we hypothesize and validate that LLMs learn task-specific heuristics from demonstrations via ICL. Building upon this hypothesis, we introduce an explicit heuristic-driven demonstration construction approach, which transforms the haphazard example selection process into a methodical method that emphasizes task heuristics. Additionally, inspired by the analogical reasoning of human, we propose the link-of-analogy prompting, which enables LLMs to process new situations by drawing analogies to known situations, enhancing their performance on unseen classes beyond limited ICL examples. Experiments show that our method outperforms existing prompting methods and few-shot supervised learning methods on document-level EAE datasets. Additionally, the HD-LoA prompting shows effectiveness in diverse tasks like sentiment analysis and natural language inference, demonstrating its broad adaptability.

Commonsense generation is a challenging task of generating a plausible sentence describing an everyday scenario using provided concepts. Its requirement of reasoning over commonsense knowledge and compositional generalization ability even puzzles strong pre-trained language generation models. We propose a novel framework using retrieval methods to enhance both the pre-training and fine-tuning for commonsense generation. We retrieve prototype sentence candidates by concept matching and use them as auxiliary input. For fine-tuning, we further boost its performance with a trainable sentence retriever. We demonstrate experimentally on the large-scale CommonGen benchmark that our approach achieves new state-of-the-art results.

Scientific idea generation (SIG) is critical to AI-driven autonomous research, yet existing approaches are often constrained by a static retrieval-then-generation paradigm, leading to homogeneous and insufficiently divergent ideas. In this work, we propose FlowPIE, a tightly coupled retrieval-generation framework that treats literature exploration and idea generation as a co-evolving process. FlowPIE expands literature trajectories via a flow-guided Monte Carlo Tree Search (MCTS) inspired by GFlowNets, using the quality of current ideas assessed by an LLM-based generative reward model (GRM) as a supervised signal to guide adaptive retrieval and construct a diverse, high-quality initial population. Based on this population, FlowPIE models idea generation as a test-time idea evolution process, applying selection, crossover, and mutation with the isolation island paradigm and GRM-based fitness computation to incorporate cross-domain knowledge. It effectively mitigates the information cocoons arising from over-reliance on parametric knowledge and static literature. Extensive evaluations demonstrate that FlowPIE consistently produces ideas with higher novelty, feasibility and diversity compared to strong LLM-based and agent-based frameworks, while enabling reward scaling during test time.