Daily Papers

GUI grounding, the task of identifying a precise location on an interface image from a natural language query, plays a crucial role in enhancing the capabilities of Vision-Language Model (VLM) agents. While general VLMs, such as GPT-4V, demonstrate strong performance across various tasks, their proficiency in GUI grounding remains suboptimal. Recent studies have focused on fine-tuning these models specifically for one-shot GUI grounding, yielding significant improvements over baseline performance. We introduce a visual prompting framework called Iterative Narrowing (IN) to further enhance the performance of both general and fine-tuned models in GUI grounding. For evaluation, we tested our method on a comprehensive benchmark comprising different UI platforms.

Monocular depth estimation (MDE) is a fundamental topic of geometric computer vision and a core technique for many downstream applications. Recently, several methods reframe the MDE as a classification-regression problem where a linear combination of probabilistic distribution and bin centers is used to predict depth. In this paper, we propose a novel concept of iterative elastic bins (IEBins) for the classification-regression-based MDE. The proposed IEBins aims to search for high-quality depth by progressively optimizing the search range, which involves multiple stages and each stage performs a finer-grained depth search in the target bin on top of its previous stage. To alleviate the possible error accumulation during the iterative process, we utilize a novel elastic target bin to replace the original target bin, the width of which is adjusted elastically based on the depth uncertainty. Furthermore, we develop a dedicated framework composed of a feature extractor and an iterative optimizer that has powerful temporal context modeling capabilities benefiting from the GRU-based architecture. Extensive experiments on the KITTI, NYU-Depth-v2 and SUN RGB-D datasets demonstrate that the proposed method surpasses prior state-of-the-art competitors. The source code is publicly available at https://github.com/ShuweiShao/IEBins.

Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks (Yuan et al., 2024, Chen et al., 2024). In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought (CoT) candidates by optimizing for winning vs. losing reasoning steps that lead to the correct answer. We train using a modified DPO loss (Rafailov et al., 2023) with an additional negative log-likelihood term, which we find to be crucial. We show reasoning improves across repeated iterations of this scheme. While only relying on examples in the training set, our approach results in increasing accuracy for Llama-2-70B-Chat from 55.6% to 81.6% on GSM8K (and 88.7% with majority voting out of 32 samples), from 12.5% to 20.8% on MATH, and from 77.8% to 86.7% on ARC-Challenge, which outperforms other Llama-2-based models not relying on additionally sourced datasets.

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

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

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.

Deep iterative chain-of-thought (CoT) reasoning enables LLMs to tackle complex tasks by progressively activating relevant pre-trained knowledge. However, it faces challenges in ensuring continual improvement and determining a stopping criterion. In this paper, we investigate whether the relevant knowledge that contributes directly to solving the given question can be activated from the initial reasoning path, thus circumventing the need for iterative refinement. Our experiments reveal that increasing the diversity of initial reasoning paths can achieve comparable or superior performance, a concept we term breadth reasoning. However, existing breadth reasoning approaches, such as self-consistency, offer limited diversity. To address this limitation, we propose a simple yet effective method that enhances reasoning breadth by integrating contextual exploration with reduced sampling randomness. Extensive experiments demonstrate that our approach significantly outperforms deep iterative reasoning. Our code is provided in https://github.com/zongqianwu/breadth.

We introduce iterative reasoning through energy diffusion (IRED), a novel framework for learning to reason for a variety of tasks by formulating reasoning and decision-making problems with energy-based optimization. IRED learns energy functions to represent the constraints between input conditions and desired outputs. After training, IRED adapts the number of optimization steps during inference based on problem difficulty, enabling it to solve problems outside its training distribution -- such as more complex Sudoku puzzles, matrix completion with large value magnitudes, and pathfinding in larger graphs. Key to our method's success is two novel techniques: learning a sequence of annealed energy landscapes for easier inference and a combination of score function and energy landscape supervision for faster and more stable training. Our experiments show that IRED outperforms existing methods in continuous-space reasoning, discrete-space reasoning, and planning tasks, particularly in more challenging scenarios. Code and visualizations at https://energy-based-model.github.io/ired/

We propose the convergent graph solver (CGS), a deep learning method that learns iterative mappings to predict the properties of a graph system at its stationary state (fixed point) with guaranteed convergence. CGS systematically computes the fixed points of a target graph system and decodes them to estimate the stationary properties of the system without the prior knowledge of existing solvers or intermediate solutions. The forward propagation of CGS proceeds in three steps: (1) constructing the input dependent linear contracting iterative maps, (2) computing the fixed-points of the linear maps, and (3) decoding the fixed-points to estimate the properties. The contractivity of the constructed linear maps guarantees the existence and uniqueness of the fixed points following the Banach fixed point theorem. To train CGS efficiently, we also derive a tractable analytical expression for its gradient by leveraging the implicit function theorem. We evaluate the performance of CGS by applying it to various network-analytic and graph benchmark problems. The results indicate that CGS has competitive capabilities for predicting the stationary properties of graph systems, irrespective of whether the target systems are linear or non-linear. CGS also shows high performance for graph classification problems where the existence or the meaning of a fixed point is hard to be clearly defined, which highlights the potential of CGS as a general graph neural network architecture.

Recent advancements in large language models (LLMs) have spurred growing interest in automatic theorem proving using Lean4, where effective tree search methods are crucial for navigating proof search spaces. While the existing approaches primarily rely on value functions and Monte Carlo Tree Search (MCTS), the potential of simpler methods like Best-First Search (BFS) remains underexplored. This paper investigates whether BFS can achieve competitive performance in large-scale theorem proving tasks. We present BFS-Prover, a scalable expert iteration framework, featuring three key innovations. First, we implement strategic data filtering at each expert iteration round, excluding problems solvable via beam search node expansion to focus on harder cases. Second, we improve the sample efficiency of BFS through Direct Preference Optimization (DPO) applied to state-tactic pairs automatically annotated with compiler error feedback, refining the LLM's policy to prioritize productive expansions. Third, we employ length normalization in BFS to encourage exploration of deeper proof paths. BFS-Prover achieves a score of 71.31 on the MiniF2F test set and therefore challenges the perceived necessity of complex tree search methods, demonstrating that BFS can achieve competitive performance when properly scaled.

Iterative retrieval refers to the process in which the model continuously queries the retriever during generation to enhance the relevance of the retrieved knowledge, thereby improving the performance of Retrieval-Augmented Generation (RAG). Existing work typically employs few-shot prompting or manually constructed rules to implement iterative retrieval. This introduces additional inference overhead and overlooks the remarkable reasoning capabilities of Large Language Models (LLMs). In this paper, we introduce Auto-RAG, an autonomous iterative retrieval model centered on the LLM's powerful decision-making capabilities. Auto-RAG engages in multi-turn dialogues with the retriever, systematically planning retrievals and refining queries to acquire valuable knowledge. This process continues until sufficient external information is gathered, at which point the results are presented to the user. To this end, we develop a method for autonomously synthesizing reasoning-based decision-making instructions in iterative retrieval and fine-tuned the latest open-source LLMs. The experimental results indicate that Auto-RAG is capable of autonomous iterative interaction with the retriever, effectively leveraging the remarkable reasoning and decision-making abilities of LLMs, which lead to outstanding performance across six benchmarks. Further analysis reveals that Auto-RAG can autonomously adjust the number of iterations based on the difficulty of the questions and the utility of the retrieved knowledge, without requiring any human intervention. Moreover, Auto-RAG expresses the iterative retrieval process in natural language, enhancing interpretability while providing users with a more intuitive experienceCode is available at \url{https://github.com/ictnlp/Auto-RAG.

Large Language Models (LLMs) are widely used for tasks such as natural language and code generation. Still, their outputs often suffer from issues like privacy violations, and semantically inaccurate code generation. Current libraries for LLM generation rely on left-to-right decoding without systematic support for backtracking, limiting the ability to correct or refine outputs mid-generation. To address this issue, we introduce IterGen, an intuitive framework for iterative, grammar-guided LLM generation that enables users to move both forward and backward within the generated output based on grammar symbols. By leveraging a symbol-to-position mapping, IterGen ensures efficient and structured generation while allowing for corrections during the process. We demonstrate IterGen's effectiveness in two important applications: reducing privacy leakage in LLM outputs and improving the accuracy of LLM-generated SQL queries. Our code is available at https://github.com/uiuc-arc/itergen

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

Human experts often struggle to select the best option from a large set of items with multiple competing objectives, a process bottlenecked by the difficulty of formalizing complex, implicit preferences. To address this, we introduce LISTEN, a framework that leverages a Large Language Model (LLM) as a zero-shot preference oracle, guided only by an expert's high-level priorities in natural language. To operate within LLM constraints like context windows and inference costs, we propose two iterative algorithms: LISTEN-U, which uses the LLM to refine a parametric utility function, and LISTEN-T, a non-parametric method that performs tournament-style selections over small batches of solutions. Evaluated on diverse tasks including flight booking, shopping, and exam scheduling, our results show LISTEN-U excels when preferences are parametrically aligned (a property we measure with a novel concordance metric), while LISTEN-T offers more robust performance. This work explores a promising direction for steering complex multi-objective decisions directly with natural language, reducing the cognitive burden of traditional preference elicitation.

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to address this, employing a closed-loop system where LLMs iteratively refine code based on empirical performance feedback from an execution sandbox. We explore three training strategies: Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and Group Relative Policy Optimization~(GRPO). Experiments on our Venus dataset and the APPS benchmark show that SFT and DPO rapidly saturate in efficiency gains. In contrast, GRPO, using reinforcement learning (RL) with execution feedback, continuously optimizes code performance, significantly boosting both pass@1 (from 47% to 62%) and the likelihood of outperforming human submissions in efficiency (from 31% to 45%). Our work demonstrates effective test-time code efficiency improvement and critically reveals the power of RL in teaching LLMs to truly self-improve code efficiency.

We study convergence lower bounds of without-replacement stochastic gradient descent (SGD) for solving smooth (strongly-)convex finite-sum minimization problems. Unlike most existing results focusing on final iterate lower bounds in terms of the number of components n and the number of epochs K, we seek bounds for arbitrary weighted average iterates that are tight in all factors including the condition number kappa. For SGD with Random Reshuffling, we present lower bounds that have tighter kappa dependencies than existing bounds. Our results are the first to perfectly close the gap between lower and upper bounds for weighted average iterates in both strongly-convex and convex cases. We also prove weighted average iterate lower bounds for arbitrary permutation-based SGD, which apply to all variants that carefully choose the best permutation. Our bounds improve the existing bounds in factors of n and kappa and thereby match the upper bounds shown for a recently proposed algorithm called GraB.

In this paper, we study how to improve the zero-shot reasoning ability of large language models~(LLMs) over structured data in a unified way. Inspired by the study on tool augmentation for LLMs, we develop an Iterative Reading-then-Reasoning~(IRR) approach for solving question answering tasks based on structured data, called StructGPT. In our approach, we construct the specialized function to collect relevant evidence from structured data (\ie reading), and let LLMs concentrate the reasoning task based on the collected information (\ie reasoning). Specially, we propose an invoking-linearization-generation procedure to support LLMs in reasoning on the structured data with the help of the external interfaces. By iterating this procedures with provided interfaces, our approach can gradually approach the target answer to a given query. Extensive experiments conducted on three types of structured data demonstrate the effectiveness of our approach, which can significantly boost the performance of ChatGPT and achieve comparable performance against the full-data supervised-tuning baselines. Our codes and data are publicly available at~https://github.com/RUCAIBox/StructGPT.

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

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

A fundamental challenge in formal theorem proving by LLMs is the lack of high-quality training data. Although reinforcement learning or expert iteration partially mitigates this issue by alternating between LLM generating proofs and finetuning them on correctly generated ones, performance quickly plateaus due to the scarcity of correct proofs (sparse rewards). To keep improving the models with limited data, we draw inspiration from mathematicians, who continuously develop new results, partly by proposing novel conjectures or exercises (which are often variants of known results) and attempting to solve them. We design the Self-play Theorem Prover (STP) that simultaneously takes on two roles, conjecturer and prover, each providing training signals to the other. The conjecturer is trained iteratively on previously generated conjectures that are barely provable by the current prover, which incentivizes it to generate increasingly challenging conjectures over time. The prover attempts to prove the conjectures with standard expert iteration. We evaluate STP with both Lean and Isabelle formal versifiers. With 19.8 billion tokens generated during the training in Lean, STP proves 26.3% of the statements in the LeanWorkbook dataset, doubling the previous best result of 13.2% achieved through expert iteration. The final model achieves state-of-the-art performance among whole-proof generation methods on miniF2F-test (61.7%, pass@3200), Proofnet-test (23.1%, pass@3200) and PutnamBench (8/644, pass@3200).

Query rewriting is one of the most effective techniques for coping with poorly written queries before passing them down to the query optimizer. Manual rewriting is not scalable, as it is error-prone and requires deep expertise. Similarly, traditional query rewriting algorithms can only handle a small subset of queries: rule-based techniques do not generalize to new query patterns and synthesis-based techniques cannot handle complex queries. Fortunately, the rise of Large Language Models (LLMs), equipped with broad general knowledge and advanced reasoning capabilities, has created hopes for solving some of these previously open problems. In this paper, we present GenRewrite, the first holistic system that leverages LLMs for query rewriting. We introduce the notion of Natural Language Rewrite Rules (NLR2s), and use them as hints to the LLM but also a means for transferring knowledge from rewriting one query to another, and thus becoming smarter and more effective over time. We present a novel counterexample-guided technique that iteratively corrects the syntactic and semantic errors in the rewritten query, significantly reducing the LLM costs and the manual effort required for verification. GenRewrite speeds up 22 out of 99 TPC queries (the most complex public benchmark) by more than 2x, which is 2.5x--3.2x higher coverage than state-of-the-art traditional query rewriting and 2.1x higher than the out-of-the-box LLM baseline.

Most previous work on Conversational Query Rewriting employs an end-to-end rewriting paradigm. However, this approach is hindered by the issue of multiple fuzzy expressions within the query, which complicates the simultaneous identification and rewriting of multiple positions. To address this issue, we propose a novel framework ICR (Iterative Clarification and Rewriting), an iterative rewriting scheme that pivots on clarification questions. Within this framework, the model alternates between generating clarification questions and rewritten queries. The experimental results show that our ICR can continuously improve retrieval performance in the clarification-rewriting iterative process, thereby achieving state-of-the-art performance on two popular datasets.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Recent agent frameworks and inference-time algorithms often struggle with complex planning problems due to limitations in verifying generated plans or reasoning and varying complexity of instances within a single task. Many existing methods for these tasks either perform task-level verification without considering constraints or apply inference-time algorithms without adapting to instance-level complexity. To address these limitations, we propose PlanGEN, a model-agnostic and easily scalable agent framework with three key components: constraint, verification, and selection agents. Specifically, our approach proposes constraint-guided iterative verification to enhance performance of inference-time algorithms--Best of N, Tree-of-Thought, and REBASE. In PlanGEN framework, the selection agent optimizes algorithm choice based on instance complexity, ensuring better adaptability to complex planning problems. Experimental results demonstrate significant improvements over the strongest baseline across multiple benchmarks, achieving state-of-the-art results on NATURAL PLAN (sim8%uparrow), OlympiadBench (sim4%uparrow), DocFinQA (sim7%uparrow), and GPQA (sim1%uparrow). Our key finding highlights that constraint-guided iterative verification improves inference-time algorithms, and adaptive selection further boosts performance on complex planning and reasoning problems.

Recent advances in deep-research agents have shown promise for autonomous knowledge construction through dynamic reasoning over external sources. However, existing approaches rely on a mono-contextual paradigm that accumulates all information in a single, expanding context window, leading to context suffocation and noise contamination that limit their effectiveness on long-horizon tasks. We introduce IterResearch, a novel iterative deep-research paradigm that reformulates long-horizon research as a Markov Decision Process with strategic workspace reconstruction. By maintaining an evolving report as memory and periodically synthesizing insights, our approach preserves consistent reasoning capacity across arbitrary exploration depths. We further develop Efficiency-Aware Policy Optimization (EAPO), a reinforcement learning framework that incentivizes efficient exploration through geometric reward discounting and enables stable distributed training via adaptive downsampling. Extensive experiments demonstrate that IterResearch achieves substantial improvements over existing open-source agents with average +14.5pp across six benchmarks and narrows the gap with frontier proprietary systems. Remarkably, our paradigm exhibits unprecedented interaction scaling, extending to 2048 interactions with dramatic performance gains (from 3.5\% to 42.5\%), and serves as an effective prompting strategy, improving frontier models by up to 19.2pp over ReAct on long-horizon tasks. These findings position IterResearch as a versatile solution for long-horizon reasoning, effective both as a trained agent and as a prompting paradigm for frontier models.

Query rewrite, which aims to generate more efficient queries by altering a SQL query's structure without changing the query result, has been an important research problem. In order to maintain equivalence between the rewritten query and the original one during rewriting, traditional query rewrite methods always rewrite the queries following certain rewrite rules. However, some problems still remain. Firstly, existing methods of finding the optimal choice or sequence of rewrite rules are still limited and the process always costs a lot of resources. Methods involving discovering new rewrite rules typically require complicated proofs of structural logic or extensive user interactions. Secondly, current query rewrite methods usually rely highly on DBMS cost estimators which are often not accurate. In this paper, we address these problems by proposing a novel method of query rewrite named LLM-R2, adopting a large language model (LLM) to propose possible rewrite rules for a database rewrite system. To further improve the inference ability of LLM in recommending rewrite rules, we train a contrastive model by curriculum to learn query representations and select effective query demonstrations for the LLM. Experimental results have shown that our method can significantly improve the query execution efficiency and outperform the baseline methods. In addition, our method enjoys high robustness across different datasets.

Many real world learning tasks involve complex or hard-to-specify objectives, and using an easier-to-specify proxy can lead to poor performance or misaligned behavior. One solution is to have humans provide a training signal by demonstrating or judging performance, but this approach fails if the task is too complicated for a human to directly evaluate. We propose Iterated Amplification, an alternative training strategy which progressively builds up a training signal for difficult problems by combining solutions to easier subproblems. Iterated Amplification is closely related to Expert Iteration (Anthony et al., 2017; Silver et al., 2017), except that it uses no external reward function. We present results in algorithmic environments, showing that Iterated Amplification can efficiently learn complex behaviors.

The demand for synthetic data in mathematical reasoning has increased due to its potential to enhance the mathematical capabilities of large language models (LLMs). However, ensuring the validity of intermediate reasoning steps remains a significant challenge, affecting data quality. While formal verification via theorem provers effectively validates LLM reasoning, the autoformalisation of mathematical proofs remains error-prone. In response, we introduce iterative autoformalisation, an approach that iteratively refines theorem prover formalisation to mitigate errors, thereby increasing the execution rate on the Lean prover from 60% to 87%. Building upon that, we introduce Theorem Prover as a Judge (TP-as-a-Judge), a method that employs theorem prover formalisation to rigorously assess LLM intermediate reasoning, effectively integrating autoformalisation with synthetic data generation. Finally, we present Reinforcement Learning from Theorem Prover Feedback (RLTPF), a framework that replaces human annotation with theorem prover feedback in Reinforcement Learning from Human Feedback (RLHF). Across multiple LLMs, applying TP-as-a-Judge and RLTPF improves benchmarks with only 3,508 samples, achieving 5.56% accuracy gain on Mistral-7B for MultiArith, 6.00% on Llama-2-7B for SVAMP, and 3.55% on Llama-3.1-8B for AQUA.

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

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

Iterative optimization is central to modern artificial intelligence (AI) and provides a crucial framework for understanding adaptive systems. This review provides a unified perspective on this subject, bridging classic theory with neural network training and biological learning. Although gradient-based methods, powered by the efficient but biologically implausible backpropagation (BP), dominate machine learning, their computational demands can hinder scalability in high-dimensional settings. In contrast, derivative-free or zeroth-order (ZO) optimization feature computationally lighter approaches that rely only on function evaluations and randomness. While generally less sample efficient, recent breakthroughs demonstrate that modern ZO methods can effectively approximate gradients and achieve performance competitive with BP in neural network models. This ZO paradigm is also particularly relevant for biology. Its core principles of random exploration (probing) and feedback-guided adaptation (reinforcing) parallel key mechanisms of biological learning, offering a mathematically principled perspective on how the brain learns. In this review, we begin by categorizing optimization approaches based on the order of derivative information they utilize, ranging from first-, second-, and higher-order gradient-based to ZO methods. We then explore how these methods are adapted to the unique challenges of neural network training and the resulting learning dynamics. Finally, we build upon these insights to view biological learning through an optimization lens, arguing that a ZO paradigm leverages the brain's intrinsic noise as a computational resource. This framework not only illuminates our understanding of natural intelligence but also holds vast implications for neuromorphic hardware, helping us design fast and energy-efficient AI systems that exploit intrinsic hardware noise.

Preference learning enhances Code LLMs beyond supervised fine-tuning by leveraging relative quality comparisons. Existing methods construct preference pairs from candidates based on test case success, treating the higher pass rate sample as positive and the lower as negative. However, this approach does not pinpoint specific errors in the code, which prevents the model from learning more informative error correction patterns, as aligning failing code as a whole lacks the granularity needed to capture meaningful error-resolution relationships. To address these issues, we propose IterPref, a new preference alignment framework that mimics human iterative debugging to refine Code LLMs. IterPref explicitly locates error regions and aligns the corresponding tokens via a tailored DPO algorithm. To generate informative pairs, we introduce the CodeFlow dataset, where samples are iteratively refined until passing tests, with modifications capturing error corrections. Extensive experiments show that a diverse suite of Code LLMs equipped with IterPref achieves significant performance gains in code generation and improves on challenging tasks like BigCodeBench. In-depth analysis reveals that IterPref yields fewer errors. Our code and data will be made publicaly available.

We propose a new class of online learning algorithms, generalized implicit Follow-The-Regularized-Leader (FTRL), that expands the scope of FTRL framework. Generalized implicit FTRL can recover known algorithms, as FTRL with linearized losses and implicit FTRL, and it allows the design of new update rules, as extensions of aProx and Mirror-Prox to FTRL. Our theory is constructive in the sense that it provides a simple unifying framework to design updates that directly improve the worst-case upper bound on the regret. The key idea is substituting the linearization of the losses with a Fenchel-Young inequality. We show the flexibility of the framework by proving that some known algorithms, like the Mirror-Prox updates, are instantiations of the generalized implicit FTRL. Finally, the new framework allows us to recover the temporal variation bound of implicit OMD, with the same computational complexity.

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

Triple-based Iterative Retrieval-Augmented Generation (iRAG) mitigates document-level noise for multi-hop question answering. However, existing methods still face limitations: (i) greedy single-path expansion, which propagates early errors and fails to capture parallel evidence from different reasoning branches, and (ii) granularity-demand mismatch, where a single evidence representation struggles to balance noise control with contextual sufficiency. In this paper, we propose the Construction-Integration Retrieval and Adaptive Generation model, CIRAG. It introduces an Iterative Construction-Integration module that constructs candidate triples and history-conditionally integrates them to distill core triples and generate the next-hop query. This module mitigates the greedy trap by preserving multiple plausible evidence chains. Besides, we propose an Adaptive Cascaded Multi-Granularity Generation module that progressively expands contextual evidence based on the problem requirements, from triples to supporting sentences and full passages. Moreover, we introduce Trajectory Distillation, which distills the teacher model's integration policy into a lightweight student, enabling efficient and reliable long-horizon reasoning. Extensive experiments demonstrate that CIRAG achieves superior performance compared to existing iRAG methods.

PRefLexOR (Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning) combines preference optimization with concepts from Reinforcement Learning to enable models to self-teach through iterative reasoning improvements. We propose a recursive learning approach that engages the model in multi-step reasoning, revisiting, and refining intermediate steps before producing a final output in training and inference phases. Through multiple training stages, the model first learns to align its reasoning with accurate decision paths by optimizing the log odds between preferred and non-preferred responses. During this process, PRefLexOR builds a dynamic knowledge graph by generating questions from random text chunks and retrieval-augmentation to contextualize relevant details from the entire training corpus. In the second stage, preference optimization enhances model performance by using rejection sampling to fine-tune reasoning quality by continually producing in-situ training data while masking the reasoning steps. Recursive optimization within a thinking token framework introduces iterative feedback loops, where the model refines reasoning, achieving deeper coherence, consistency, and adaptability. Implemented in small language models with only 3 billion parameters, we should that even tiny models can iteratively teach themselves to reason with greater depth and reflectivity. Our implementation is straightforward and can be incorporated into any existing pretrained LLM. We focus our examples on applications in biological materials science and demonstrate the method in a variety of case studies that range from in-domain to cross-domain applications. Using reasoning strategies that include thinking and reflection modalities we build a multi-agent recursive self-improving inference approach to successively improve responses via repeated sampling in inference time.

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.

LLM-based agents for machine learning engineering (MLE) predominantly rely on tree search, a form of gradient-free optimization that uses scalar validation scores to rank candidates. As LLM reasoning capabilities improve, exhaustive enumeration becomes increasingly inefficient compared to directed updates, analogous to how accurate gradients enable efficient descent over random search. We introduce Gome, an MLE agent that operationalizes gradient-based optimization. Gome maps structured diagnostic reasoning to gradient computation, success memory to momentum, and multi-trace execution to distributed optimization. Under a closed-world protocol that isolates architectural effects from external knowledge, Gome achieves a state-of-the-art 35.1\% any-medal rate on MLE-Bench with a restricted 12-hour budget on a single V100 GPU. Scaling experiments across 10 models reveal a critical crossover: with weaker models, tree search retains advantages by compensating for unreliable reasoning through exhaustive exploration; as reasoning capability strengthens, gradient-based optimization progressively outperforms, with the gap widening at frontier-tier models. Given the rapid advancement of reasoning-oriented LLMs, this positions gradient-based optimization as an increasingly favorable paradigm. We release our codebase and GPT-5 traces at https://github.com/microsoft/RD-Agent.

While AI agents have shown remarkable performance at various tasks, they still struggle with complex multi-modal applications, structured generation and strategic planning. Improvements via standard fine-tuning is often impractical, as solving agentic tasks usually relies on black box API access without control over model parameters. Inference-time methods such as Best-of-N (BON) sampling offer a simple yet effective alternative to improve performance. However, BON lacks iterative feedback integration mechanism. Hence, we propose Iterative Agent Decoding (IAD) which combines iterative refinement with dynamic candidate evaluation and selection guided by a verifier. IAD differs in how feedback is designed and integrated, specifically optimized to extract maximal signal from reward scores. We conduct a detailed comparison of baselines across key metrics on Sketch2Code, Text2SQL, and Webshop where IAD consistently outperforms baselines, achieving 3--6% absolute gains on Sketch2Code and Text2SQL (with and without LLM judges) and 8--10% gains on Webshop across multiple metrics. To better understand the source of IAD's gains, we perform controlled experiments to disentangle the effect of adaptive feedback from stochastic sampling, and find that IAD's improvements are primarily driven by verifier-guided refinement, not merely sampling diversity. We also show that both IAD and BON exhibit inference-time scaling with increased compute when guided by an optimal verifier. Our analysis highlights the critical role of verifier quality in effective inference-time optimization and examines the impact of noisy and sparse rewards on scaling behavior. Together, these findings offer key insights into the trade-offs and principles of effective inference-time optimization.

While Retrieval-Augmented Generation (RAG) mitigates hallucination and knowledge staleness in Large Language Models (LLMs), existing frameworks often falter on complex, multi-hop queries that require synthesizing information from disparate sources. Current advanced RAG methods, employing iterative or adaptive strategies, lack a robust mechanism to systematically identify and fill evidence gaps, often propagating noise or failing to gather a comprehensive context. We introduce FAIR-RAG, a novel agentic framework that transforms the standard RAG pipeline into a dynamic, evidence-driven reasoning process. At its core is an Iterative Refinement Cycle governed by a module we term Structured Evidence Assessment (SEA). The SEA acts as an analytical gating mechanism: it deconstructs the initial query into a checklist of required findings and audits the aggregated evidence to identify confirmed facts and, critically, explicit informational gaps. These gaps provide a precise signal to an Adaptive Query Refinement agent, which generates new, targeted sub-queries to retrieve missing information. This cycle repeats until the evidence is verified as sufficient, ensuring a comprehensive context for a final, strictly faithful generation. We conducted experiments on challenging multi-hop QA benchmarks, including HotpotQA, 2WikiMultiHopQA, and MusiQue. In a unified experimental setup, FAIR-RAG significantly outperforms strong baselines. On HotpotQA, it achieves an F1-score of 0.453 -- an absolute improvement of 8.3 points over the strongest iterative baseline -- establishing a new state-of-the-art for this class of methods on these benchmarks. Our work demonstrates that a structured, evidence-driven refinement process with explicit gap analysis is crucial for unlocking reliable and accurate reasoning in advanced RAG systems for complex, knowledge-intensive tasks.

Theorem proving is a fundamental task in mathematics. With the advent of large language models (LLMs) and interactive theorem provers (ITPs) like Lean, there has been growing interest in integrating LLMs and ITPs to automate theorem proving. In this approach, the LLM generates proof steps (tactics), and the ITP checks the applicability of the tactics at the current goal. The two systems work together to complete the proof. In this paper, we introduce DS-Prover, a novel dynamic sampling method for theorem proving. This method dynamically determines the number of tactics to apply to expand the current goal, taking into account the remaining time compared to the total allocated time for proving a theorem. This makes the proof search process more efficient by adjusting the balance between exploration and exploitation as time passes. We also augment the training dataset by decomposing simplification and rewrite tactics with multiple premises into tactics with single premises. This gives the model more examples to learn from and helps it to predict the tactics with premises more accurately. We perform our experiments using the Mathlib dataset of the Lean theorem prover and report the performance on two standard datasets, MiniF2F and ProofNet. Our methods achieve significant performance gains on both datasets. We achieved a state-of-the-art performance (Pass@1) of 14.2% on the ProofNet dataset and a performance of 29.8% on MiniF2F, slightly surpassing the best-reported Pass@1 of 29.6% using Lean.

Recent advances in large language models (LLMs) have demonstrated the effectiveness of Iterative Self-Improvement (ISI) techniques. However, continuous training on self-generated data leads to reduced output diversity, a limitation particularly critical in reasoning tasks where diverse solution paths are essential. We present DIVE (Diversified Iterative Self-Improvement), a novel framework that addresses this challenge through two key components: Sample Pool Expansion for broader solution exploration, and Data Selection for balancing diversity and quality in preference pairs. Experiments on MATH and GSM8k datasets show that DIVE achieves a 10% to 45% relative increase in output diversity metrics while maintaining performance quality compared to vanilla ISI. Our ablation studies confirm both components' significance in achieving these improvements. Code is available at https://github.com/qinyiwei/DIVE.

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

In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task -- Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.

Deep neural networks, despite their success in numerous applications, often function without established theoretical foundations. In this paper, we bridge this gap by drawing parallels between deep learning and classical numerical analysis. By framing neural networks as operators with fixed points representing desired solutions, we develop a theoretical framework grounded in iterative methods for operator equations. Under defined conditions, we present convergence proofs based on fixed point theory. We demonstrate that popular architectures, such as diffusion models and AlphaFold, inherently employ iterative operator learning. Empirical assessments highlight that performing iterations through network operators improves performance. We also introduce an iterative graph neural network, PIGN, that further demonstrates benefits of iterations. Our work aims to enhance the understanding of deep learning by merging insights from numerical analysis, potentially guiding the design of future networks with clearer theoretical underpinnings and improved performance.

The emergent abilities of large language models (LLMs) have demonstrated great potential in solving medical questions. They can possess considerable medical knowledge, but may still hallucinate and are inflexible in the knowledge updates. While Retrieval-Augmented Generation (RAG) has been proposed to enhance the medical question-answering capabilities of LLMs with external knowledge bases, it may still fail in complex cases where multiple rounds of information-seeking are required. To address such an issue, we propose iterative RAG for medicine (i-MedRAG), where LLMs can iteratively ask follow-up queries based on previous information-seeking attempts. In each iteration of i-MedRAG, the follow-up queries will be answered by a vanilla RAG system and they will be further used to guide the query generation in the next iteration. Our experiments show the improved performance of various LLMs brought by i-MedRAG compared with vanilla RAG on complex questions from clinical vignettes in the United States Medical Licensing Examination (USMLE), as well as various knowledge tests in the Massive Multitask Language Understanding (MMLU) dataset. Notably, our zero-shot i-MedRAG outperforms all existing prompt engineering and fine-tuning methods on GPT-3.5, achieving an accuracy of 69.68\% on the MedQA dataset. In addition, we characterize the scaling properties of i-MedRAG with different iterations of follow-up queries and different numbers of queries per iteration. Our case studies show that i-MedRAG can flexibly ask follow-up queries to form reasoning chains, providing an in-depth analysis of medical questions. To the best of our knowledge, this is the first-of-its-kind study on incorporating follow-up queries into medical RAG.

Large reasoning models achieve strong performance by scaling inference-time chain-of-thought, but this paradigm suffers from quadratic cost, context length limits, and degraded reasoning due to lost-in-the-middle effects. Iterative reasoning mitigates these issues by periodically summarizing intermediate thoughts, yet existing methods rely on supervised learning or fixed heuristics and fail to optimize when to summarize, what to preserve, and how to resume reasoning. We propose InftyThink+, an end-to-end reinforcement learning framework that optimizes the entire iterative reasoning trajectory, building on model-controlled iteration boundaries and explicit summarization. InftyThink+ adopts a two-stage training scheme with supervised cold-start followed by trajectory-level reinforcement learning, enabling the model to learn strategic summarization and continuation decisions. Experiments on DeepSeek-R1-Distill-Qwen-1.5B show that InftyThink+ improves accuracy by 21% on AIME24 and outperforms conventional long chain-of-thought reinforcement learning by a clear margin, while also generalizing better to out-of-distribution benchmarks. Moreover, InftyThink+ significantly reduces inference latency and accelerates reinforcement learning training, demonstrating improved reasoning efficiency alongside stronger performance.

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

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

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

Interactive theorem provers (ITPs) require manual formalization, which is labor-intensive and demands expert knowledge. While automated formalization offers a potential solution, it faces two major challenges: model hallucination (e.g., undefined predicates, symbol misuse, and version incompatibility) and the semantic gap caused by ambiguous or missing premises in natural language descriptions. To address these issues, we propose CRAMF, a Concept-driven Retrieval-Augmented Mathematical Formalization framework. CRAMF enhances LLM-based autoformalization by retrieving formal definitions of core mathematical concepts, providing contextual grounding during code generation. However, applying retrieval-augmented generation (RAG) in this setting is non-trivial due to the lack of structured knowledge bases, the polymorphic nature of mathematical concepts, and the high precision required in formal retrieval. We introduce a framework for automatically constructing a concept-definition knowledge base from Mathlib4, the standard mathematical library for the Lean 4 theorem prover, indexing over 26,000 formal definitions and 1,000+ core mathematical concepts. To address conceptual polymorphism, we propose contextual query augmentation with domain- and application-level signals. In addition, we design a dual-channel hybrid retrieval strategy with reranking to ensure accurate and relevant definition retrieval. Experiments on miniF2F, ProofNet, and our newly proposed AdvancedMath benchmark show that CRAMF can be seamlessly integrated into LLM-based autoformalizers, yielding consistent improvements in translation accuracy, achieving up to 62.1% and an average of 29.9% relative improvement.

Tool-calling conversational agents querying structured databases often face two linked failures: underspecification (missing constraints needed to run a precise query) and infeasibility (the fully specified query returns an empty set because no item satisfies all constraints). Existing work often responds with "no results" or relaxes constraints using ad hoc rules, which can violate user intent by discarding requirements the user cares about most. We frame infeasibility handling as a preference-aware query repair problem: when a query is unsatisfiable, the agent should relax the least important constraints to the user. We propose three LLM-based methods for inferring relative constraint importance from dialogue: (1) local weighting, (2) global one-shot weighting, and (3) pairwise ranking. Experiments show local weighting achieves the best preference alignment, while global weighting performs best on correct constraint relaxation. We also introduce AWARE-US, a benchmark of persona-grounded queries requiring agents to disambiguate requests via conversation and resolve infeasibility in a way consistent with persona-implied preferences.

Recently, large language models (LLMs) have demonstrated excellent performance in understanding human instructions and generating code, which has inspired researchers to explore the feasibility of generating RTL code with LLMs. However, the existing approaches to fine-tune LLMs on RTL codes typically are conducted on fixed datasets, which do not fully stimulate the capability of LLMs and require large amounts of reference data. To mitigate these issues , we introduce a simple yet effective iterative training paradigm named ITERTL. During each iteration, samples are drawn from the model trained in the previous cycle. Then these new samples are employed for training in this loop. Through this iterative approach, the distribution mismatch between the model and the training samples is reduced. Additionally, the model is thus enabled to explore a broader generative space and receive more comprehensive feedback. Theoretical analyses are conducted to investigate the mechanism of the effectiveness. Experimental results show the model trained through our proposed approach can compete with and even outperform the state-of-the-art (SOTA) open-source model with nearly 37\% reference samples, achieving remarkable 42.9\% and 62.2\% pass@1 rate on two VerilogEval evaluation datasets respectively. While using the same amount of reference samples, our method can achieved a relative improvement of 16.9\% and 12.5\% in pass@1 compared to the non-iterative method. This study facilitates the application of LLMs for generating RTL code in practical scenarios with limited data.

Recent improvements in text generation have leveraged human feedback to improve the quality of the generated output. However, human feedback is not always available, especially during inference. In this work, we propose an inference time optimization method FITO to use fine-grained actionable feedback in the form of error type, error location and severity level that are predicted by a learned error pinpoint model for iterative refinement. FITO starts with an initial output, then iteratively incorporates the feedback via a refinement model that generates an improved output conditioned on the feedback. Given the uncertainty of consistent refined samples at iterative steps, we formulate iterative refinement into a local search problem and develop a simulated annealing based algorithm that balances exploration of the search space and optimization for output quality. We conduct experiments on three text generation tasks, including machine translation, long-form question answering (QA) and topical summarization. We observe 0.8 and 0.7 MetricX gain on Chinese-English and English-German translation, 4.5 and 1.8 ROUGE-L gain at long form QA and topic summarization respectively, with a single iteration of refinement. With our simulated annealing algorithm, we see further quality improvements, including up to 1.7 MetricX improvements over the baseline approach.

Learning rate schedules used in practice bear little resemblance to those recommended by theory. We close much of this theory/practice gap, and as a consequence are able to derive new problem-adaptive learning rate schedules. Our key technical contribution is a refined analysis of learning rate schedules for a wide class of optimization algorithms (including SGD). In contrast to most prior works that study the convergence of the average iterate, we study the last iterate, which is what most people use in practice. When considering only worst-case analysis, our theory predicts that the best choice is the linear decay schedule: a popular choice in practice that sets the stepsize proportionally to 1 - t/T, where t is the current iteration and T is the total number of steps. To go beyond this worst-case analysis, we use the observed gradient norms to derive schedules refined for any particular task. These refined schedules exhibit learning rate warm-up and rapid learning rate annealing near the end of training. Ours is the first systematic approach to automatically yield both of these properties. We perform the most comprehensive evaluation of learning rate schedules to date, evaluating across 10 diverse deep learning problems, a series of LLMs, and a suite of logistic regression problems. We validate that overall, the linear-decay schedule matches or outperforms all commonly used default schedules including cosine annealing, and that our schedule refinement method gives further improvements.

Augmenting large language models (LLMs) with external retrieval has become a standard method to address their inherent knowledge cutoff limitations. However, traditional retrieval-augmented generation methods employ static, pre-inference retrieval strategies, making them inadequate for complex tasks involving ambiguous, multi-step, or evolving information needs. Recent advances in test-time scaling techniques have demonstrated significant potential in enabling LLMs to dynamically interact with external tools, motivating the shift toward adaptive inference-time retrieval. Inspired by Information Foraging Theory (IFT), we propose InForage, a reinforcement learning framework that formalizes retrieval-augmented reasoning as a dynamic information-seeking process. Unlike existing approaches, InForage explicitly rewards intermediate retrieval quality, encouraging LLMs to iteratively gather and integrate information through adaptive search behaviors. To facilitate training, we construct a human-guided dataset capturing iterative search and reasoning trajectories for complex, real-world web tasks. Extensive evaluations across general question answering, multi-hop reasoning tasks, and a newly developed real-time web QA dataset demonstrate InForage's superior performance over baseline methods. These results highlight InForage's effectiveness in building robust, adaptive, and efficient reasoning agents.

We develop a unified theoretical framework for sparse knowledge distillation based on probability-domain softening operators. While the equivalence p^{1/T} propto softmax(z/T) is well known, our contribution is an operator-level analytical framework built on this foundation rather than the equivalence itself. The framework comprises four core components: (i) operator-agnostic bias--variance decompositions that characterize when sparse students outperform dense teachers, (ii) a homotopy path formalization of multi-stage pruning in function space explaining why iterative compression succeeds where one-shot pruning fails, (iii) convergence guarantees establishing O(1/n) rates for n-stage distillation with explicit parameter dependence, and (iv) equivalence class characterizations identifying distinct probability-domain operators that yield identical student models under capacity constraints. We introduce an axiomatic definition of probability-domain softening operators based on ranking preservation, continuity, entropy monotonicity, identity, and boundary behavior, and show that multiple non-equivalent operator families satisfy these axioms. All learning-theoretic guarantees are shown to hold uniformly across this operator class, independent of implementation details. These results provide theoretical grounding for black-box teacher distillation, partial-access settings such as top-k truncation and text-only outputs, and privacy-preserving model compression.

Retrieval-Augmented Generation (RAG) has demonstrated significant effectiveness in enhancing large language models (LLMs) for complex multi-hop question answering (QA). For multi-hop QA tasks, current iterative approaches predominantly rely on LLMs to self-guide and plan multi-step exploration paths during retrieval, leading to substantial challenges in maintaining reasoning coherence across steps from inaccurate query decomposition and error propagation. To address these issues, we introduce Reasoning Tree Guided RAG (RT-RAG), a novel hierarchical framework for complex multi-hop QA. RT-RAG systematically decomposes multi-hop questions into explicit reasoning trees, minimizing inaccurate decomposition through structured entity analysis and consensus-based tree selection that clearly separates core queries, known entities, and unknown entities. Subsequently, a bottom-up traversal strategy employs iterative query rewriting and refinement to collect high-quality evidence, thereby mitigating error propagation. Comprehensive experiments show that RT-RAG substantially outperforms state-of-the-art methods by 7.0% F1 and 6.0% EM, demonstrating the effectiveness of RT-RAG in complex multi-hop QA.

Large language models (LLMs) demonstrate exceptional performance in numerous tasks but still heavily rely on knowledge stored in their parameters. Moreover, updating this knowledge incurs high training costs. Retrieval-augmented generation (RAG) methods address this issue by integrating external knowledge. The model can answer questions it couldn't previously by retrieving knowledge relevant to the query. This approach improves performance in certain scenarios for specific tasks. However, if irrelevant texts are retrieved, it may impair model performance. In this paper, we propose Retrieval Augmented Iterative Self-Feedback (RA-ISF), a framework that iteratively decomposes tasks and processes them in three submodules to enhance the model's problem-solving capabilities. Experiments show that our method outperforms existing benchmarks, performing well on models like GPT3.5, Llama2, significantly enhancing factual reasoning capabilities and reducing hallucinations.

Long-form chain-of-thought reasoning has become a cornerstone of advanced reasoning in large language models. While recent verification-refinement frameworks have enabled proprietary models to solve Olympiad-level problems, their effectiveness hinges on strong, reliable verification and correction capabilities, which remain fragile in open-weight, smaller-scale models. This work demonstrates that even with weak verification and refinement capabilities on hard tasks, the reasoning limits of such models can be substantially extended through a probabilistic paradigm we call Deep Self-Evolving Reasoning (DSER). We conceptualize iterative reasoning as a Markov chain, where each step represents a stochastic transition in the solution space. The key insight is that convergence to a correct solution is guaranteed as long as the probability of improvement marginally exceeds that of degradation. By running multiple long-horizon, self-evolving processes in parallel, DSER amplifies these small positive tendencies, enabling the model to asymptotically approach correct answers. Empirically, we apply DSER to the DeepSeek-R1-0528-Qwen3-8B model. On the challenging AIME 2024-2025 benchmark, DSER solves 5 out of 9 previously unsolvable problems and boosts overall performance, enabling this compact model to surpass the single-turn accuracy of its 600B-parameter teacher through majority voting. Beyond its immediate utility for test-time scaling, the DSER framework serves to diagnose the fundamental limitations of current open-weight reasoners. By clearly delineating their shortcomings in self-verification, refinement, and stability, our findings establish a clear research agenda for developing next-generation models with powerful, intrinsic self-evolving capabilities.

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities. Effectively leveraging this potential for complex tasks hinges crucially on improving their ability to use tools. Synthesizing tool use data by simulating the real world is an effective approach. Nevertheless, our investigation reveals that training gains significantly decay as the scale of these data increases. The primary factor is the model's poor performance (a.k.a deficiency) in complex scenarios, which hinders learning from data using SFT. Driven by this objective, we propose an iterative reinforced fine-tuning strategy to continually guide the model to alleviate it. Specifically, we first identify deficiency-related data based on feedback from the policy model, then perform a Monte Carlo Tree Search to collect fine-grained preference pairs to pinpoint deficiencies. Subsequently, we update the policy model using preference optimization to align with ground truth and misalign with deficiencies. This process can be iterated. Moreover, before the iteration, we propose an easy-to-hard warm-up SFT strategy to facilitate learning from challenging data. The experiments demonstrate our models go beyond the same parametric models, outperforming many larger open-source and closed-source models. Additionally, it has achieved notable training gains in complex tool use scenarios.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

Learning Rate Rewinding (LRR) has been established as a strong variant of Iterative Magnitude Pruning (IMP) to find lottery tickets in deep overparameterized neural networks. While both iterative pruning schemes couple structure and parameter learning, understanding how LRR excels in both aspects can bring us closer to the design of more flexible deep learning algorithms that can optimize diverse sets of sparse architectures. To this end, we conduct experiments that disentangle the effect of mask learning and parameter optimization and how both benefit from overparameterization. The ability of LRR to flip parameter signs early and stay robust to sign perturbations seems to make it not only more effective in mask identification but also in optimizing diverse sets of masks, including random ones. In support of this hypothesis, we prove in a simplified single hidden neuron setting that LRR succeeds in more cases than IMP, as it can escape initially problematic sign configurations.

Retrieval-Augmented Generation (RAG) utilizes external knowledge to augment Large Language Models' (LLMs) reliability. For flexibility, agentic RAG employs autonomous, multi-round retrieval and reasoning to resolve queries. Although recent agentic RAG has improved via reinforcement learning, they often incur substantial token overhead from search and reasoning processes. This trade-off prioritizes accuracy over efficiency. To address this issue, this work proposes TeaRAG, a token-efficient agentic RAG framework capable of compressing both retrieval content and reasoning steps. 1) First, the retrieved content is compressed by augmenting chunk-based semantic retrieval with a graph retrieval using concise triplets. A knowledge association graph is then built from semantic similarity and co-occurrence. Finally, Personalized PageRank is leveraged to highlight key knowledge within this graph, reducing the number of tokens per retrieval. 2) Besides, to reduce reasoning steps, Iterative Process-aware Direct Preference Optimization (IP-DPO) is proposed. Specifically, our reward function evaluates the knowledge sufficiency by a knowledge matching mechanism, while penalizing excessive reasoning steps. This design can produce high-quality preference-pair datasets, supporting iterative DPO to improve reasoning conciseness. Across six datasets, TeaRAG improves the average Exact Match by 4% and 2% while reducing output tokens by 61% and 59% on Llama3-8B-Instruct and Qwen2.5-14B-Instruct, respectively. Code is available at https://github.com/Applied-Machine-Learning-Lab/TeaRAG.

Multi-constraint planning involves identifying, evaluating, and refining candidate plans while satisfying multiple, potentially conflicting constraints. Existing large language model (LLM) approaches face fundamental limitations in this domain. Pure reasoning paradigms, which rely on long natural language chains, are prone to inconsistency, error accumulation, and prohibitive cost as constraints compound. Conversely, LLMs combined with coding- or solver-based strategies lack flexibility: they often generate problem-specific code from scratch or depend on fixed solvers, failing to capture generalizable logic across diverse problems. To address these challenges, we introduce the Scalable COde Planning Engine (SCOPE), a framework that disentangles query-specific reasoning from generic code execution. By separating reasoning from execution, SCOPE produces solver functions that are consistent, deterministic, and reusable across queries while requiring only minimal changes to input parameters. SCOPE achieves state-of-the-art performance while lowering cost and latency. For example, with GPT-4o, it reaches 93.1% success on TravelPlanner, a 61.6% gain over the best baseline (CoT) while cutting inference cost by 1.4x and time by ~4.67x. Code is available at https://github.com/DerrickGXD/SCOPE.

Block coordinate descent (BCD) methods are widely used for large-scale numerical optimization because of their cheap iteration costs, low memory requirements, amenability to parallelization, and ability to exploit problem structure. Three main algorithmic choices influence the performance of BCD methods: the block partitioning strategy, the block selection rule, and the block update rule. In this paper we explore all three of these building blocks and propose variations for each that can significantly improve the progress made by each BCD iteration. We (i) propose new greedy block-selection strategies that guarantee more progress per iteration than the Gauss-Southwell rule; (ii) explore practical issues like how to implement the new rules when using "variable" blocks; (iii) explore the use of message-passing to compute matrix or Newton updates efficiently on huge blocks for problems with sparse dependencies between variables; and (iv) consider optimal active manifold identification, which leads to bounds on the "active-set complexity" of BCD methods and leads to superlinear convergence for certain problems with sparse solutions (and in some cases finite termination at an optimal solution). We support all of our findings with numerical results for the classic machine learning problems of least squares, logistic regression, multi-class logistic regression, label propagation, and L1-regularization.

This paper presents a novel framework for enhancing reasoning capabilities in large language models (LLMs) by leveraging iterative reasoning and feedback-driven methodologies. Building on the limitations identified in the SimpleBench benchmark, a dataset designed to evaluate logical coherence and real-world reasoning, we propose a multi-step prompting strategy coupled with global consistency checks to improve model accuracy and robustness. Through comparative analysis of state-of-the-art models, including Claude 3 Opus, Claude 3.5, GPT- 4o, and o1-preview, we demonstrate that iterative reasoning significantly enhances model performance, with improvements observed in both standard accuracy metrics (AVG@5) and a newly introduced metric, Extreme Averaging (EAG@5). Our results reveal model-specific strengths: Claude excels in maintaining logical consistency, while GPT-4o exhibits exploratory creativity but struggles with ambiguous prompts. By analyzing case studies and identifying gaps in spatial and temporal reasoning, we highlight areas for further refinement. The findings underscore the potential of structured reasoning frameworks to address inherent model limitations, irrespective of pretraining methodologies. This study lays the groundwork for integrating dynamic feedback mechanisms, adaptive restart strategies, and diverse evaluation metrics to advance LLM reasoning capabilities across complex and multi-domain problem spaces.

Query rewriting is a classical technique for transforming complex declarative SQL queries into ``lean'' equivalents that are conducive to (a) faster execution from a performance perspective, and (b) better understanding from a developer perspective. The rewriting is typically achieved via transformation rules, but these rules are limited in scope and difficult to update in a production system. In recent times, LLM-based techniques have also been mooted, but they are prone to both semantic and syntactic errors. We investigate here, how the remarkable cognitive capabilities of LLMs can be leveraged for performant query rewriting while incorporating safeguards and optimizations to ensure correctness and efficiency. Our study shows that these goals can be progressively achieved through incorporation of (a) an ensemble suite of basic prompts, (b) database-sensitive prompts via redundancy removal and selectivity-based rewriting rules, and (c) LLM token probability-guided rewrite paths. Further, a suite of statistical and logic-based tools can be used to guard against errors produced by the model. We have implemented the above LLM-infused techniques in the LITHE system, and evaluated complex analytic queries from multiple benchmarks on contemporary database platforms. The results show significant improvements over SOTA rewriting techniques -- for instance, on TPC-DS, LITHE constructed productive (>1.5x speedup) rewrites for two-thirds of the query suite, delivering four times more coverage than SOTA. Further, the geometric mean of its estimated execution speedups was an order-of-magnitude jump over SOTA performance. In essence, LITHE offers a potent and robust LLM-based intermediary between enterprise applications and database engines.

Large Language Models' (LLM) reasoning can be improved using test-time aggregation strategies, i.e., generating multiple samples and voting among generated samples. While these improve performance, they often reach a saturation point. Refinement offers an alternative by using LLM-generated feedback to improve solution quality. However, refinement introduces 3 key challenges: (1) Excessive refinement: Uniformly refining all instances can over-correct and reduce the overall performance. (2) Inability to localize and address errors: LLMs have a limited ability to self-correct and struggle to identify and correct their own mistakes. (3) Insufficient refinement: Deciding how many iterations of refinement are needed is non-trivial, and stopping too soon could leave errors unaddressed. To tackle these issues, we propose MAgICoRe, which avoids excessive refinement by categorizing problem difficulty as easy or hard, solving easy problems with coarse-grained aggregation and hard ones with fine-grained and iterative multi-agent refinement. To improve error localization, we incorporate external step-wise reward model (RM) scores. Moreover, to ensure effective refinement, we employ a multi-agent loop with three agents: Solver, Reviewer (which generates targeted feedback based on step-wise RM scores), and the Refiner (which incorporates feedback). To ensure sufficient refinement, we re-evaluate updated solutions, iteratively initiating further rounds of refinement. We evaluate MAgICoRe on Llama-3-8B and GPT-3.5 and show its effectiveness across 5 math datasets. Even one iteration of MAgICoRe beats Self-Consistency by 3.4%, Best-of-k by 3.2%, and Self-Refine by 4.0% while using less than half the samples. Unlike iterative refinement with baselines, MAgICoRe continues to improve with more iterations. Finally, our ablations highlight the importance of MAgICoRe's RMs and multi-agent communication.

Advanced diffusion models like RPG, Stable Diffusion 3 and FLUX have made notable strides in compositional text-to-image generation. However, these methods typically exhibit distinct strengths for compositional generation, with some excelling in handling attribute binding and others in spatial relationships. This disparity highlights the need for an approach that can leverage the complementary strengths of various models to comprehensively improve the composition capability. To this end, we introduce IterComp, a novel framework that aggregates composition-aware model preferences from multiple models and employs an iterative feedback learning approach to enhance compositional generation. Specifically, we curate a gallery of six powerful open-source diffusion models and evaluate their three key compositional metrics: attribute binding, spatial relationships, and non-spatial relationships. Based on these metrics, we develop a composition-aware model preference dataset comprising numerous image-rank pairs to train composition-aware reward models. Then, we propose an iterative feedback learning method to enhance compositionality in a closed-loop manner, enabling the progressive self-refinement of both the base diffusion model and reward models over multiple iterations. Theoretical proof demonstrates the effectiveness and extensive experiments show our significant superiority over previous SOTA methods (e.g., Omost and FLUX), particularly in multi-category object composition and complex semantic alignment. IterComp opens new research avenues in reward feedback learning for diffusion models and compositional generation. Code: https://github.com/YangLing0818/IterComp

Recent advancements in large language models (LLMs) have sparked considerable interest in automated theorem proving and a prominent line of research integrates stepwise LLM-based provers into tree search. In this paper, we introduce a novel proof-state exploration approach for training data synthesis, designed to produce diverse tactics across a wide range of intermediate proof states, thereby facilitating effective one-shot fine-tuning of LLM as the policy model. We also propose an adaptive beam size strategy, which effectively takes advantage of our data synthesis method and achieves a trade-off between exploration and exploitation during tree search. Evaluations on the MiniF2F and ProofNet benchmarks demonstrate that our method outperforms strong baselines under the stringent Pass@1 metric, attaining an average pass rate of 60.74% on MiniF2F and 21.18% on ProofNet. These results underscore the impact of large-scale synthetic data in advancing automated theorem proving.

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

Type-and-effect systems help the programmer to organize data and computational effects in a program. While for traditional type systems expressive variants with sophisticated inference algorithms have been developed and widely used in programming languages, type-and-effect systems did not yet gain widespread adoption. One reason for this is that type-and-effect systems are more complex and the existing inference algorithms make compromises between expressiveness, intuitiveness, and decidability. In this work, we present an effect inference algorithm for a type-and-effect system with subtyping, expressive higher-rank polymorphism, and intuitive set-like semantics of effects. In order to deal with scoping issues of higher-rank polymorphism, we delay solving of effect constraints by transforming them into formulae of propositional logic. We prove soundness and completeness of our algorithm with respect to a declarative type-and-effect system. All the presented results have been formalized in the Rocq proof assistant, and the algorithm has been successfully implemented in a realistic programming language.

Automated Theorem Proving (ATP) in formal languages remains a formidable challenge in AI, demanding rigorous logical deduction and navigating vast search spaces. While large language models (LLMs) have shown promising performance, existing stepwise provers often suffer from biased search guidance, leading to inefficiencies and suboptimal proof strategies. This paper introduces the Multi-Perspective Search Prover (MPS-Prover), a novel stepwise ATP system designed to overcome these limitations. MPS-Prover incorporates two key innovations: a highly effective post-training data curation strategy that prunes approximately 40% of redundant training data without sacrificing performance, and a multi-perspective tree search mechanism. This search integrates a learned critic model with strategically designed heuristic rules to diversify tactic selection, prevent getting trapped in unproductive states, and enhance search robustness. Extensive evaluations demonstrate that MPS-Prover achieves state-of-the-art performance on multiple challenging benchmarks, including miniF2F and ProofNet, outperforming prior 7B parameter models. Furthermore, our analyses reveal that MPS-Prover generates significantly shorter and more diverse proofs compared to existing stepwise and whole-proof methods, highlighting its efficiency and efficacy. Our work advances the capabilities of LLM-based formal reasoning and offers a robust framework and a comprehensive analysis for developing more powerful theorem provers.

Large Language Models (LLMs) present an intriguing avenue for exploration in the field of formal theorem proving. Nevertheless, their full potential, particularly concerning the mitigation of hallucinations and refinement through prover error messages, remains an area that has yet to be thoroughly investigated. To enhance the effectiveness of LLMs in the field, we introduce the Lyra, a new framework that employs two distinct correction mechanisms: Tool Correction (TC) and Conjecture Correction (CC). To implement Tool Correction in the post-processing of formal proofs, we leverage prior knowledge to utilize predefined prover tools (e.g., Sledgehammer) for guiding the replacement of incorrect tools. Tool Correction significantly contributes to mitigating hallucinations, thereby improving the overall accuracy of the proof. In addition, we introduce Conjecture Correction, an error feedback mechanism designed to interact with prover to refine formal proof conjectures with prover error messages. Compared to the previous refinement framework, the proposed Conjecture Correction refines generation with instruction but does not collect paired (generation, error & refinement) prompts. Our method has achieved state-of-the-art (SOTA) performance on both miniF2F validation (48.0% -> 55.3%) and test (45.5% -> 51.2%). We also present 3 IMO problems solved by Lyra. We believe Tool Correction (post-process for hallucination mitigation) and Conjecture Correction (subgoal adjustment from interaction with environment) could provide a promising avenue for future research in this field.

Recent advancements in large language models (LLMs) have shown remarkable potential in various complex tasks requiring multi-step reasoning methods like tree search to explore diverse reasoning paths. However, existing methods often suffer from computational inefficiency and redundancy. First, they overlook the diversity of task difficulties, leading to unnecessarily extensive searches even for easy tasks. Second, they neglect the semantics of reasoning paths, resulting in redundant exploration of semantically identical paths. To address these limitations, we propose Semantic Exploration with Adaptive Gating (SEAG), a computationally efficient method. SEAG employs an adaptive gating mechanism that dynamically decides whether to conduct a tree search, based on the confidence level of answers from a preceding simple reasoning method. Furthermore, its tree-based exploration consolidates semantically identical reasoning steps, reducing redundant explorations while maintaining or even improving accuracy. Our extensive experiments demonstrate that SEAG significantly improves accuracy by 4.3% on average while requiring only 31% of computational costs compared to existing tree search-based methods on complex reasoning benchmarks including GSM8K and ARC with diverse language models such as Llama2, Llama3, and Mistral.

Recent advancements demonstrated by DeepSeek-R1 have shown that complex reasoning abilities in large language models (LLMs), including sophisticated behaviors such as self-verification and self-correction, can be achieved by RL with verifiable rewards and significantly improves model performance on challenging tasks such as AIME. Motivated by these findings, our study investigates whether similar reasoning capabilities can be successfully integrated into large vision-language models (LVLMs) and assesses their impact on challenging multimodal reasoning tasks. We consider an approach that iteratively leverages supervised fine-tuning (SFT) on lightweight training data and Reinforcement Learning (RL) to further improve model generalization. Initially, reasoning capabilities were distilled from pure-text R1 models by generating reasoning steps using high-quality captions of the images sourced from diverse visual datasets. Subsequently, iterative RL training further enhance reasoning skills, with each iteration's RL-improved model generating refined SFT datasets for the next round. This iterative process yielded OpenVLThinker, a LVLM exhibiting consistently improved reasoning performance on challenging benchmarks such as MathVista, MathVerse, and MathVision, demonstrating the potential of our strategy for robust vision-language reasoning. The code, model and data are held at https://github.com/yihedeng9/OpenVLThinker.

While Pre-trained Language Models (PLMs) internalize a great amount of world knowledge, they have been shown incapable of recalling these knowledge to solve tasks requiring complex & multi-step reasoning. Similar to how humans develop a "chain of thought" for these tasks, how can we equip PLMs with such abilities? In this work, we explore an iterative prompting framework, a new prompting paradigm which progressively elicits relevant knowledge from PLMs for multi-step inference. We identify key limitations of existing prompting methods, namely they are either restricted to queries with a single identifiable relation/predicate, or being agnostic to input contexts, which makes it difficult to capture variabilities across different inference steps. We propose an iterative context-aware prompter, which addresses these limitations by learning to dynamically synthesize prompts conditioned on the current step's contexts. Experiments on three datasets involving multi-step reasoning show the effectiveness of the iterative scheme and the context-aware prompter design.

In this article, we introduce a new parameterized family of topological invariants, taking the form of candidate decompositions, for multi-parameter persistence modules. We prove that our candidate decompositions are controllable approximations: when restricting to modules that can be decomposed into interval summands, we establish theoretical results about the approximation error between our candidate decompositions and the true underlying module in terms of the standard interleaving and bottleneck distances. Moreover, even when the underlying module does not admit such a decomposition, our candidate decompositions are nonetheless stable invariants; small perturbations in the underlying module lead to small perturbations in the candidate decomposition. Then, we introduce MMA (Multipersistence Module Approximation): an algorithm for computing stable instances of such invariants, which is based on fibered barcodes and exact matchings, two constructions that stem from the theory of single-parameter persistence. By design, MMA can handle an arbitrary number of filtrations, and has bounded complexity and running time. Finally, we present empirical evidence validating the generalization capabilities and running time speed-ups of MMA on several data sets.

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

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

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

A significant use case of instruction-finetuned Large Language Models (LLMs) is to solve question-answering tasks interactively. In this setting, an LLM agent is tasked with making a prediction by sequentially querying relevant information from the user, as opposed to a single-turn conversation. This paper explores sequential querying strategies that aim to minimize the expected number of queries. One such strategy is Information Pursuit (IP), a greedy algorithm that at each iteration selects the query that maximizes information gain or equivalently minimizes uncertainty. However, obtaining accurate estimates of mutual information or conditional entropy for LLMs is very difficult in practice due to over- or under-confident LLM probabilities, which leads to suboptimal query selection and predictive performance. To better estimate the uncertainty at each iteration, we propose Conformal Information Pursuit (C-IP), an alternative approach to sequential information gain based on conformal prediction sets. More specifically, C-IP leverages a relationship between prediction sets and conditional entropy at each iteration to estimate uncertainty based on the average size of conformal prediction sets. In contrast to conditional entropy, we find that conformal prediction sets are a distribution-free and robust method of measuring uncertainty. Experiments with 20 Questions show that C-IP obtains better predictive performance and shorter query-answer chains compared to previous approaches to IP and uncertainty-based chain-of-thought methods. Furthermore, extending to an interactive medical setting between a doctor and a patient on the MediQ dataset, C-IP achieves competitive performance with direct single-turn prediction while offering greater interpretability.

Recent advances in Retrieval-Augmented Generation (RAG) have shifted from simple vector similarity to structure-aware approaches like HippoRAG, which leverage Knowledge Graphs (KGs) and Personalized PageRank (PPR) to capture multi-hop dependencies. However, these methods suffer from a "Static Graph Fallacy": they rely on fixed transition probabilities determined during indexing. This rigidity ignores the query-dependent nature of edge relevance, causing semantic drift where random walks are diverted into high-degree "hub" nodes before reaching critical downstream evidence. Consequently, models often achieve high partial recall but fail to retrieve the complete evidence chain required for multi-hop queries. To address this, we propose CatRAG, Context-Aware Traversal for robust RAG, a framework that builds on the HippoRAG 2 architecture and transforms the static KG into a query-adaptive navigation structure. We introduce a multi-faceted framework to steer the random walk: (1) Symbolic Anchoring, which injects weak entity constraints to regularize the random walk; (2) Query-Aware Dynamic Edge Weighting, which dynamically modulates graph structure, to prune irrelevant paths while amplifying those aligned with the query's intent; and (3) Key-Fact Passage Weight Enhancement, a cost-efficient bias that structurally anchors the random walk to likely evidence. Experiments across four multi-hop benchmarks demonstrate that CatRAG consistently outperforms state of the art baselines. Our analysis reveals that while standard Recall metrics show modest gains, CatRAG achieves substantial improvements in reasoning completeness, the capacity to recover the entire evidence path without gaps. These results reveal that our approach effectively bridges the gap between retrieving partial context and enabling fully grounded reasoning. Resources are available at https://github.com/kwunhang/CatRAG.

In SPARQL, the query forms SELECT and CONSTRUCT have been the subject of several studies, both theoretical and practical. However, the composition of such queries and their interweaving when forming involved nested queries has not yet received much interest in the literature. We mainly tackle the problem of composing such queries. For this purpose, we introduce a language close to SPARQL where queries can be nested at will, involving either CONSTRUCT or SELECT query forms and provide a formal semantics for it. This semantics is based on a uniform interpretation of queries. This uniformity is due to an extension of the notion of RDF graphs to include isolated items such as variables. As a key feature of this work, we show how classical SELECT queries can be easily encoded as a particular case of CONSTRUCT queries.

Large language models (LLMs) have shown promise in proving formal theorems using proof assistants such as Lean. However, existing methods are difficult to reproduce or build on, due to private code, data, and large compute requirements. This has created substantial barriers to research on machine learning methods for theorem proving. This paper removes these barriers by introducing LeanDojo: an open-source Lean playground consisting of toolkits, data, models, and benchmarks. LeanDojo extracts data from Lean and enables interaction with the proof environment programmatically. It contains fine-grained annotations of premises in proofs, providing valuable data for premise selection: a key bottleneck in theorem proving. Using this data, we develop ReProver (Retrieval-Augmented Prover): the first LLM-based prover that is augmented with retrieval for selecting premises from a vast math library. It is inexpensive and needs only one GPU week of training. Our retriever leverages LeanDojo's program analysis capability to identify accessible premises and hard negative examples, which makes retrieval much more effective. Furthermore, we construct a new benchmark consisting of 96,962 theorems and proofs extracted from Lean's math library. It features challenging data split requiring the prover to generalize to theorems relying on novel premises that are never used in training. We use this benchmark for training and evaluation, and experimental results demonstrate the effectiveness of ReProver over non-retrieval baselines and GPT-4. We thus provide the first set of open-source LLM-based theorem provers without any proprietary datasets and release it under a permissive MIT license to facilitate further research.

Graph databases are gaining momentum thanks to the flexibility and expressiveness of their data models and query languages. A standardization activity driven by the ISO/IEC standardization body is also ongoing and has already conducted to the specification of the first versions of two standard graph query languages, namely SQL/PGQ and GQL, respectively in 2023 and 2024. Apart from the standards, there exists a panoply of concrete graph query languages provided by current graph database systems, each offering different query features. A common limitation of current graph query engines is the absence of an algebraic approach for evaluating path queries. To address this, we introduce an abstract algebra for evaluating path queries, allowing paths to be treated as first-class entities within the query processing pipeline. We demonstrate that our algebra can express a core fragment of path queries defined in GQL and SQL/PGQ, thereby serving as a formal framework for studying both standards and supporting their implementation in current graph database systems. We also show that evaluation trees for path algebra expressions can function as logical plans for evaluating path queries and enable the application of query optimization techniques. Our algebraic framework has the potential to act as a lingua franca for path query evaluation, enabling different implementations to be expressed and compared.

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

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

Circuits based on sum-product structure have become a ubiquitous representation to compactly encode knowledge, from Boolean functions to probability distributions. By imposing constraints on the structure of such circuits, certain inference queries become tractable, such as model counting and most probable configuration. Recent works have explored analyzing probabilistic and causal inference queries as compositions of basic operators to derive tractability conditions. In this paper, we take an algebraic perspective for compositional inference, and show that a large class of queries - including marginal MAP, probabilistic answer set programming inference, and causal backdoor adjustment - correspond to a combination of basic operators over semirings: aggregation, product, and elementwise mapping. Using this framework, we uncover simple and general sufficient conditions for tractable composition of these operators, in terms of circuit properties (e.g., marginal determinism, compatibility) and conditions on the elementwise mappings. Applying our analysis, we derive novel tractability conditions for many such compositional queries. Our results unify tractability conditions for existing problems on circuits, while providing a blueprint for analysing novel compositional inference queries.

Large Language Models (LLMs) have exhibited an impressive capability to perform reasoning tasks, especially if they are encouraged to generate a sequence of intermediate steps. Reasoning performance can be improved by suitably combining multiple LLM responses, generated either in parallel in a single query, or via sequential interactions with LLMs throughout the reasoning process. Existing strategies for combination, such as self-consistency and progressive-hint-prompting, make inefficient usage of the LLM responses. We present Hint Marginalization, a novel and principled algorithmic framework to enhance the reasoning capabilities of LLMs. Our approach can be viewed as an iterative sampling strategy for forming a Monte Carlo approximation of an underlying distribution of answers, with the goal of identifying the mode the most likely answer. Empirical evaluation on several benchmark datasets for arithmetic reasoning demonstrates the superiority of the proposed approach.

While Large Language Models (LLMs) have revolutionized code generation, standard "System 1" approaches, generating solutions in a single forward pass, often hit a performance ceiling when faced with complex algorithmic tasks. Existing iterative refinement strategies attempt to bridge this gap at inference time, yet they predominantly rely on external oracles, execution feedback, or computationally expensive prompt-response cycles. In this work, we propose ReflexiCoder, a novel reinforcement learning (RL) framework that internalizes the structured reasoning trajectory, encompassing initial generation, bug and optimization aware reflection, and self-correction, directly into the model's weights. Unlike prior methods, ReflexiCoder shifts the paradigm from external-dependent refinement to an intrinsic, fully autonomous self-reflection and self-correction capabilities at inference time. We utilize an RL-zero training paradigm with granular reward functions to optimize the entire reflection-correction trajectory, teaching the model how to debug without reliance on ground-truth feedback or execution engines at inference time. Extensive experiments across seven benchmarks demonstrate that our ReflexiCoder-8B establishes a new state-of-the-art (SOTA) among leading open-source models in the 1.5B-14B range, achieving 94.51% (87.20%) on HumanEval (Plus), 81.80% (78.57%) on MBPP (Plus), 35.00% on BigCodeBench, 52.21% on LiveCodeBench, and 37.34% on CodeForces in a single-attempt setting, rivaling or surpassing proprietary models like GPT-5.1. Notably, our framework is significantly more token-efficient than base models, reducing inference-time compute overhead by approximately 40% through disciplined, high-speed reasoning and reflection patterns. Source code is available at https://github.com/juyongjiang/ReflexiCoder.

Automatic Differentiation (AD) has become a dominant technique in ML. AD frameworks have first been implemented for imperative languages using tapes. Meanwhile, functional implementations of AD have been developed, often based on dual numbers, which are close to the formal specification of differentiation and hence easier to prove correct. But these papers have focussed on correctness not efficiency. Recently, it was shown how an approach using dual numbers could be made efficient through the right optimizations. Optimizations are highly dependent on order, as one optimization can enable another. It can therefore be useful to have fine-grained control over the scheduling of optimizations. One method expresses compiler optimizations as rewrite rules, whose application can be combined and controlled using strategy languages. Previous work describes the use of term rewriting and strategies to generate high-performance code in a compiler for a functional language. In this work, we implement dual numbers AD in a functional array programming language using rewrite rules and strategy combinators for optimization. We aim to combine the elegance of differentiation using dual numbers with a succinct expression of the optimization schedule using a strategy language. We give preliminary evidence suggesting the viability of the approach on a micro-benchmark.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

Scaling inference-time compute for Large Language Models (LLMs) has unlocked unprecedented reasoning capabilities. However, existing inference-time scaling methods typically rely on inefficient and suboptimal discrete search algorithms or trial-and-error prompting to improve the online policy. In this paper, we propose nabla-Reasoner, an iterative generation framework that integrates differentiable optimization over token logits into the decoding loop to refine the policy on the fly. Our core component, Differentiable Textual Optimization (DTO), leverages gradient signals from both the LLM's likelihood and a reward model to refine textual representations. nabla-Reasoner further incorporates rejection sampling and acceleration design to robustify and speed up decoding. Theoretically, we show that performing inference-time gradient descent in the sample space to maximize reward is dual to aligning an LLM policy via KL-regularized reinforcement learning. Empirically, nabla-Reasoner achieves over 20% accuracy improvement on a challenging mathematical reasoning benchmark, while reducing number of model calls by approximately 10-40% compared to strong baselines. Overall, our work introduces a paradigm shift from zeroth-order search to first-order optimization at test time, offering a cost-effective path to amplify LLM reasoning.

Tree search has become as a representative framework for test-time reasoning with large language models (LLMs), exemplified by methods such as Tree-of-Thought and Monte Carlo Tree Search that explore multiple reasoning paths. However, it remains difficult to provide instant and reliable quantitative assessments of intermediate reasoning step quality, and extensive path exploration is computationally costly. To address this, we propose Mutual Information Tree Search (MITS), a novel framework that guides reasoning with information-theoretic principles. MITS introduces an effective scoring function based on pointwise mutual information (PMI), which enables step-wise evaluation of reasoning paths and search tree expansion via beam search without expensive look-ahead simulations, achieving superior reasoning performances while maintaining computational efficiency. The framework is complemented by an entropy-based dynamic sampling strategy that adaptively allocates computational resources to uncertain reasoning steps where exploration is most beneficial. For final prediction, MITS employs a weighted voting scheme that combines PMI scores with prediction consensus. Through comprehensive experiments on diverse reasoning benchmarks, MITS consistently surpasses baseline methods, establishing a principled and efficient framework for LLM reasoning.

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

Continual learning aims to avoid catastrophic forgetting and effectively leverage learned experiences to master new knowledge. Existing gradient projection approaches impose hard constraints on the optimization space for new tasks to minimize interference, which simultaneously hinders forward knowledge transfer. To address this issue, recent methods reuse frozen parameters with a growing network, resulting in high computational costs. Thus, it remains a challenge whether we can improve forward knowledge transfer for gradient projection approaches using a fixed network architecture. In this work, we propose the Restricted Orthogonal Gradient prOjection (ROGO) framework. The basic idea is to adopt a restricted orthogonal constraint allowing parameters optimized in the direction oblique to the whole frozen space to facilitate forward knowledge transfer while consolidating previous knowledge. Our framework requires neither data buffers nor extra parameters. Extensive experiments have demonstrated the superiority of our framework over several strong baselines. We also provide theoretical guarantees for our relaxing strategy.

We propose a method that achieves near-optimal rates for smooth stochastic convex optimization and requires essentially no prior knowledge of problem parameters. This improves on prior work which requires knowing at least the initial distance to optimality d0. Our method, U-DoG, combines UniXGrad (Kavis et al., 2019) and DoG (Ivgi et al., 2023) with novel iterate stabilization techniques. It requires only loose bounds on d0 and the noise magnitude, provides high probability guarantees under sub-Gaussian noise, and is also near-optimal in the non-smooth case. Our experiments show consistent, strong performance on convex problems and mixed results on neural network training.

Large language models (LLMs) have recently shown strong progress on scientific reasoning, yet two major bottlenecks remain. First, explicit retrieval fragments reasoning, imposing a hidden "tool tax" of extra tokens and steps. Second, multi-agent pipelines often dilute strong solutions by averaging across all candidates. We address these challenges with a unified framework that combines implicit retrieval and structured collaboration. At its foundation, a Monitor-based retrieval module operates at the token level, integrating external knowledge with minimal disruption to reasoning. On top of this substrate, Hierarchical Solution Refinement (HSR) iteratively designates each candidate as an anchor to be repaired by its peers, while Quality-Aware Iterative Reasoning (QAIR) adapts refinement to solution quality. On Humanity's Last Exam (HLE) Bio/Chem Gold, our framework achieves 48.3\% accuracy -- the highest reported to date, surpassing the strongest agent baseline by 13.4 points and leading frontier LLMs by up to 18.1 points, while simultaneously reducing token usage by 53.5\% and agent steps by 43.7\%. Results on SuperGPQA and TRQA confirm robustness across domains. Error analysis shows that reasoning failures and knowledge gaps co-occur in over 85\% of cases, while diversity analysis reveals a clear dichotomy: retrieval tasks benefit from solution variety, whereas reasoning tasks favor consensus. Together, these findings demonstrate how implicit augmentation and structured refinement overcome the inefficiencies of explicit tool use and uniform aggregation. Code is available at: https://github.com/tangxiangru/Eigen-1.

The dominance of proprietary LLMs has led to restricted access and raised information privacy concerns. High-performing open-source alternatives are crucial for information-sensitive and high-volume applications but often lag behind in performance. To address this gap, we propose (1) A untargeted variant of iterative self-critique and self-refinement devoid of external influence. (2) A novel ranking metric - Performance, Refinement, and Inference Cost Score (PeRFICS) - to find the optimal model for a given task considering refined performance and cost. Our experiments show that SoTA open source models of varying sizes from 7B - 65B, on average, improve 8.2% from their baseline performance. Strikingly, even models with extremely small memory footprints, such as Vicuna-7B, show a 11.74% improvement overall and up to a 25.39% improvement in high-creativity, open ended tasks on the Vicuna benchmark. Vicuna-13B takes it a step further and outperforms ChatGPT post-refinement. This work has profound implications for resource-constrained and information-sensitive environments seeking to leverage LLMs without incurring prohibitive costs, compromising on performance and privacy. The domain-agnostic self-refinement process coupled with our novel ranking metric facilitates informed decision-making in model selection, thereby reducing costs and democratizing access to high-performing language models, as evidenced by case studies.

We present Generative Logic (GL), a deterministic architecture that begins from user-supplied axiomatic definitions -- written in a minimalist Mathematical Programming Language (MPL) -- and systematically explores their deductive neighborhood. Definitions are compiled into a distributed grid of simple Logic Blocks (LBs) that exchange messages; any time several expressions unify under an inference rule, a new fact is emitted with full provenance to its sources, yielding replayable, auditable proof graphs. A prototype software implementation instantiates the workflow on first-order Peano arithmetic. Starting only from the Peano axioms, GL enumerates candidate implications, applies normalization and type filters, and automatically reconstructs machine-checkable proofs of foundational arithmetic laws including associativity and commutativity of addition, associativity and commutativity of multiplication, and distributivity. Generated proofs export to navigable HTML so that every inference step can be inspected independently. We outline a hardware-software co-design path toward massively parallel realizations and describe prospective integration with probabilistic models (e.g., Large Language Models (LLMs)) for autoformalization and conjecture seeding. The Python and MPL code to reproduce the Peano experiments, along with the full HTML proof graphs, are available in the project's GitHub repository at https://github.com/Generative-Logic/GL/tree/35a111ea9ba53afe051703d6050be0c3923e9724 and are permanently archived at https://doi.org/10.5281/zenodo.16408441. We invite community feedback and collaboration.

Proof automation is crucial to large-scale formal mathematics and software/hardware verification projects in ITPs. Sophisticated tools called hammers have been developed to provide general-purpose proof automation in ITPs such as Coq and Isabelle, leveraging the power of ATPs. An important component of a hammer is the translation algorithm from the ITP's logical system to the ATP's logical system. In this paper, we propose a novel translation algorithm for ITPs based on dependent type theory. The algorithm is implemented in Lean 4 under the name Lean-auto. When combined with ATPs, Lean-auto provides general-purpose, ATP-based proof automation in Lean 4 for the first time. Soundness of the main translation procedure is guaranteed, and experimental results suggest that our algorithm is sufficiently complete to automate the proof of many problems that arise in practical uses of Lean 4. We also find that Lean-auto solves more problems than existing tools on Lean 4's math library Mathlib4.

Iterative retrieval-augmented generation (iRAG) models offer an effective approach for multi-hop question answering (QA). However, their retrieval process faces two key challenges: (1) it can be disrupted by irrelevant documents or factually inaccurate chain-of-thoughts; (2) their retrievers are not designed to dynamically adapt to the evolving information needs in multi-step reasoning, making it difficult to identify and retrieve the missing information required at each iterative step. Therefore, we propose KiRAG, which uses a knowledge-driven iterative retriever model to enhance the retrieval process of iRAG. Specifically, KiRAG decomposes documents into knowledge triples and performs iterative retrieval with these triples to enable a factually reliable retrieval process. Moreover, KiRAG integrates reasoning into the retrieval process to dynamically identify and retrieve knowledge that bridges information gaps, effectively adapting to the evolving information needs. Empirical results show that KiRAG significantly outperforms existing iRAG models, with an average improvement of 9.40% in R@3 and 5.14% in F1 on multi-hop QA.

Many graph algorithms can be viewed as sets of rules that are iteratively applied, with the number of iterations dependent on the size and complexity of the input graph. Existing machine learning architectures often struggle to represent these algorithmic decisions as discrete state transitions. Therefore, we propose a novel framework: GraphFSA (Graph Finite State Automaton). GraphFSA is designed to learn a finite state automaton that runs on each node of a given graph. We test GraphFSA on cellular automata problems, showcasing its abilities in a straightforward algorithmic setting. For a comprehensive empirical evaluation of our framework, we create a diverse range of synthetic problems. As our main application, we then focus on learning more elaborate graph algorithms. Our findings suggest that GraphFSA exhibits strong generalization and extrapolation abilities, presenting an alternative approach to represent these algorithms.

Increasing demand for Large Language Models (LLMs) services imposes substantial deployment and computation costs on providers. LLM routing offers a cost-efficient solution by directing queries to the optimal LLM based on model and query features. However, existing works primarily focus on offline scenarios and struggle to adapt to online settings with high query volume and constrained token budgets. In this work, we introduce the first training-free algorithm for online routing scenarios. Our algorithm leverages approximate nearest neighbor search to efficiently estimate query features and performs a one-time optimization over a small set of initial queries to learn a routing strategy that guides future routing. We provide theoretical guarantees demonstrating that our algorithm achieves a competitive ratio of 1 - o(1) under natural assumptions, which is further validated by extensive experiments across 3 benchmark datasets and 8 baselines, showing an average improvement of 3.55times in overall performance, 1.85times in cost efficiency, and nearly 4.25times in throughput. Our code is available at https://github.com/fzwark/PORT.

With the development of large language models, their ability to follow simple instructions has significantly improved. However, adhering to complex instructions remains a major challenge. Current approaches to generating complex instructions are often irrelevant to the current instruction requirements or suffer from limited scalability and diversity. Moreover, methods such as back-translation, while effective for simple instruction generation, fail to leverage the rich contents and structures in large web corpora. In this paper, we propose a novel automatic iterative refinement framework to generate complex instructions with constraints, which not only better reflects the requirements of real scenarios but also significantly enhances LLMs' ability to follow complex instructions. The AIR framework consists of two stages: (1)Generate an initial instruction from a document; (2)Iteratively refine instructions with LLM-as-judge guidance by comparing the model's output with the document to incorporate valuable constraints. Finally, we construct the AIR-10K dataset with 10K complex instructions and demonstrate that instructions generated with our approach significantly improve the model's ability to follow complex instructions, outperforming existing methods for instruction generation.

This work introduces a general code generation framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent code language models with infilling capabilities can perform self-infilling: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this feature to develop an infilling-augmented decoding process that facilitates non-monotonic generation. This approach allows for postponing the generation of uncertain code snippets until a definitive suffix is established, leading to improved control over the generation sequence. In addition, it facilitates a looping mechanism, which can iteratively update and synchronize each piece of generation in a cyclic manner. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing regularity and quality across several code generation benchmarks.

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

Database knob tuning is a critical challenge in the database community, aiming to optimize knob values to enhance database performance for specific workloads. DBMS often feature hundreds of tunable knobs, posing a significant challenge for DBAs to recommend optimal configurations. Consequently, many machine learning-based tuning methods have been developed to automate this process. Despite the introduction of various optimizers, practical applications have unveiled a new problem: they typically require numerous workload runs to achieve satisfactory performance, a process that is both time-consuming and resource-intensive. This inefficiency largely stems from the optimal configuration often being substantially different from the default setting, necessitating multiple iterations during tuning. Recognizing this, we argue that an effective starting point could significantly reduce redundant exploration in less efficient areas, thereby potentially speeding up the tuning process for the optimizers. Based on this assumption, we introduce LLMTune, a large language model-based configuration generator designed to produce an initial, high-quality configuration for new workloads. These generated configurations can then serve as starting points for various base optimizers, accelerating their tuning processes. To obtain training data for LLMTune's supervised fine-tuning, we have devised a new automatic data generation framework capable of efficiently creating a large number of <workload, configuration> pairs. We have conducted thorough experiments to evaluate LLMTune's effectiveness with different workloads, such as TPC-H and JOB. In comparison to leading methods, LLMTune demonstrates a quicker ability to identify superior configurations. For instance, with the challenging TPC-H workload, our LLMTune achieves a significant 15.6x speed-up ratio in finding the best-performing configurations.

Retrieval-augmented generation has gained significant attention due to its ability to integrate relevant external knowledge, enhancing the accuracy and reliability of the LLMs' responses. Most of the existing methods apply a dynamic multiple retrieval-generating process, to address multi-hop complex questions by decomposing them into sub-problems. However, these methods rely on an unidirectional forward reasoning paradigm, where errors from insufficient reasoning steps or inherent flaws in current retrieval systems are irreversible, potentially derailing the entire reasoning chain. For the first time, this work introduces Retroactive Retrieval-Augmented Generation (RetroRAG), a novel framework to build a retroactive reasoning paradigm. RetroRAG revises and updates the evidence, redirecting the reasoning chain to the correct direction. RetroRAG constructs an evidence-collation-discovery framework to search, generate, and refine credible evidence. It synthesizes inferential evidence related to the key entities in the question from the existing source knowledge and formulates search queries to uncover additional information. As new evidence is found, RetroRAG continually updates and organizes this information, enhancing its ability to locate further necessary evidence. Paired with an Answerer to generate and evaluate outputs, RetroRAG is capable of refining its reasoning process iteratively until a reliable answer is obtained. Empirical evaluations show that RetroRAG significantly outperforms existing methods.

We present a geometric framework for filtered approximate nearest neighbor (ANN) search. Filtering a proximity graph by a metadata predicate produces a subgraph, a fiber, whose connectivity and geometry can differ sharply from the full graph. Using local signals, we propose a two-phase search algorithm that combines full-graph exploration with filtered-neighbor descent when the local geometry is favorable. These signals also classify search failures into three regimes: topological cuts, geometric folds, and genuine basins. A key observation is that all three share a common resolution: restarting the search in a fiber-present cluster near the query. To support this, we introduce a lightweight anchor structure that identifies such regions and restarts the search accordingly. We show empirically that the method outperforms FAISS HNSW on filtered search and the three failure regimes separate cleanly and shift predictably with filter selectivity.

Looping, reusing a block of layers across depth, and depth growing, training shallow-to-deep models by duplicating middle layers, have both been linked to stronger reasoning, but their relationship remains unclear. We provide a mechanistic unification: looped and depth-grown models exhibit convergent depth-wise signatures, including increased reliance on late layers and recurring patterns aligned with the looped or grown block. These shared signatures support the view that their gains stem from a common form of iterative computation. Building on this connection, we show that the two techniques are adaptable and composable: applying inference-time looping to the middle blocks of a depth-grown model improves accuracy on some reasoning primitives by up to 2times, despite the model never being trained to loop. Both approaches also adapt better than the baseline when given more in-context examples or additional supervised fine-tuning data. Additionally, depth-grown models achieve the largest reasoning gains when using higher-quality, math-heavy cooldown mixtures, which can be further boosted by adapting a middle block to loop. Overall, our results position depth growth and looping as complementary, practical methods for inducing and scaling iterative computation to improve reasoning.

LLMs have demonstrated strong mathematical reasoning abilities by leveraging reinforcement learning with long chain-of-thought, yet they continue to struggle with theorem proving due to the lack of clear supervision signals when solely using natural language. Dedicated domain-specific languages like Lean provide clear supervision via formal verification of proofs, enabling effective training through reinforcement learning. In this work, we propose Seed-Prover, a lemma-style whole-proof reasoning model. Seed-Prover can iteratively refine its proof based on Lean feedback, proved lemmas, and self-summarization. To solve IMO-level contest problems, we design three test-time inference strategies that enable both deep and broad reasoning. Seed-Prover proves 78.1% of formalized past IMO problems, saturates MiniF2F, and achieves over 50\% on PutnamBench, outperforming the previous state-of-the-art by a large margin. To address the lack of geometry support in Lean, we introduce a geometry reasoning engine Seed-Geometry, which outperforms previous formal geometry engines. We use these two systems to participate in IMO 2025 and fully prove 5 out of 6 problems. This work represents a significant advancement in automated mathematical reasoning, demonstrating the effectiveness of formal verification with long chain-of-thought reasoning.

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

Code efficiency is a fundamental aspect of software quality, yet how to harness large language models (LLMs) to optimize programs remains challenging. Prior approaches have sought for one-shot rewriting, retrieved exemplars, or prompt-based search, but they do not explicitly distill reusable optimization knowledge, which limits generalization beyond individual instances. In this paper, we present EffiSkill, a framework for code-efficiency optimization that builds a portable optimization toolbox for LLM-based agents. The key idea is to model recurring slow-to-fast transformations as reusable agent skills that capture both concrete transformation mechanisms and higher-level optimization strategies. EffiSkill adopts a two-stage design: Stage I mines Operator and Meta Skills from large-scale slow/fast program pairs to build a skill library; Stage II applies this library to unseen programs through execution-free diagnosis, skill retrieval, plan composition, and candidate generation, without runtime feedback. Results on EffiBench-X show that EffiSkill achieves higher optimization success rates, improving over the strongest baseline by 3.69 to 12.52 percentage points across model and language settings. These findings suggest that mechanism-level skill reuse provides a useful foundation for execution-free code optimization, and that the resulting skill library can serve as a reusable resource for broader agent workflows.

Retrieval-augmented language models (RaLM) have demonstrated the potential to solve knowledge-intensive natural language processing (NLP) tasks by combining a non-parametric knowledge base with a parametric language model. Instead of fine-tuning a fully parametric model, RaLM excels at its low-cost adaptation to the latest data and better source attribution mechanisms. Among various RaLM approaches, iterative RaLM delivers a better generation quality due to a more frequent interaction between the retriever and the language model. Despite the benefits, iterative RaLM usually encounters high overheads due to the frequent retrieval step. To this end, we propose RaLMSpec, a speculation-inspired framework that provides generic speed-up over iterative RaLM while preserving the same model outputs through speculative retrieval and batched verification. By further incorporating prefetching, optimal speculation stride scheduler, and asynchronous verification, RaLMSpec can automatically exploit the acceleration potential to the fullest. For naive iterative RaLM serving, extensive evaluations over three language models on four downstream QA datasets demonstrate that RaLMSpec can achieve a speed-up ratio of 1.75-2.39x, 1.04-1.39x, and 1.31-1.77x when the retriever is an exact dense retriever, approximate dense retriever, and sparse retriever respectively compared with the baseline. For KNN-LM serving, RaLMSpec can achieve a speed-up ratio up to 7.59x and 2.45x when the retriever is an exact dense retriever and approximate dense retriever, respectively, compared with the baseline.