arXiv subjects

Jia Li

Publications and source records attributed to Jia Li.

At least 271 records · Page 15Linked to original sources

arXiv2025

Agent4S: The Transformation of Research Paradigms from the Perspective of Large Language Models

While AI for Science (AI4S) serves as an analytical tool in the current research paradigm, it doesn't solve its core inefficiency. We propose "Agent for Science" (Agent4S)-the use of LLM-driven agents to automate the entire research workflow-as the true Fifth Scientific Paradigm. This paper introduces a five-level classification for Agent4S, outlining a clear roadmap from simple task automation to fully autonomous, collaborative "AI Scientists." This framework defines the next revolutionary step in scientific discovery.

cs.AI↗

arXiv2025

Rewarding Graph Reasoning Process makes LLMs more Generalized Reasoners

Despite significant advancements in Large Language Models (LLMs), developing advanced reasoning capabilities in LLMs remains a key challenge. Process Reward Models (PRMs) have demonstrated exceptional promise in enhancing reasoning by providing step-wise feedback, particularly in the context of mathematical reasoning. However, their application to broader reasoning domains remains understudied, largely due to the high costs associated with manually creating step-level supervision. In this work, we explore the potential of PRMs in graph reasoning problems - a domain that demands sophisticated multi-step reasoning and offers opportunities for automated step-level data generation using established graph algorithms. We introduce GraphSILO, the largest dataset for graph reasoning problems with fine-grained step-wise labels, built using automated Task-oriented Trajectories and Monte Carlo Tree Search (MCTS) to generate detailed reasoning steps with step-wise labels. Building upon this dataset, we train GraphPRM, the first PRM designed for graph reasoning problems, and evaluate its effectiveness in two key settings: inference-time scaling and reinforcement learning via Direct Preference Optimization (DPO). Experimental results show that GraphPRM significantly improves LLM performance across 13 graph reasoning tasks, delivering a 9% gain for Qwen2.5-7B and demonstrating transferability to new graph reasoning datasets and new reasoning domains like mathematical problem-solving. Notably, GraphPRM enhances LLM performance on GSM8K and Math500, underscoring the cross-domain applicability of graph-based reasoning rewards. Our findings highlight the potential of PRMs in advancing reasoning across diverse domains, paving the way for more versatile and effective LLMs.

cs.CL↗

arXiv2025

Revisiting LoRA through the Lens of Parameter Redundancy: Spectral Encoding Helps

Low-Rank Adaptation (LoRA) has emerged as a prominent technique for fine-tuning large foundation models. Despite its successes, the substantial parameter redundancy, which limits the capacity and efficiency of LoRA, has been recognized as a bottleneck. In this work, we systematically investigate the impact of redundancy in fine-tuning LoRA and reveal that reducing density redundancy does not degrade expressiveness. Based on this insight, we introduce \underline{S}pectral-\underline{e}ncoding \underline{L}ow-\underline{R}ank \underline{A}daptation (SeLoRA), which harnesses the robust expressiveness of spectral bases to re-parameterize LoRA from a sparse spectral subspace. Designed with simplicity, SeLoRA enables seamless integration with various LoRA variants for performance boosting, serving as a scalable plug-and-play framework. Extensive experiments substantiate that SeLoRA achieves greater efficiency with fewer parameters, delivering superior performance enhancements over strong baselines on various downstream tasks, including commonsense reasoning, math reasoning, and code generation.

cs.LG↗

arXiv2025

Provoking Multi-modal Few-Shot LVLM via Exploration-Exploitation In-Context Learning

In-context learning (ICL), a predominant trend in instruction learning, aims at enhancing the performance of large language models by providing clear task guidance and examples, improving their capability in task understanding and execution. This paper investigates ICL on Large Vision-Language Models (LVLMs) and explores the policies of multi-modal demonstration selection. Existing research efforts in ICL face significant challenges: First, they rely on pre-defined demonstrations or heuristic selecting strategies based on human intuition, which are usually inadequate for covering diverse task requirements, leading to sub-optimal solutions; Second, individually selecting each demonstration fails in modeling the interactions between them, resulting in information redundancy. Unlike these prevailing efforts, we propose a new exploration-exploitation reinforcement learning framework, which explores policies to fuse multi-modal information and adaptively select adequate demonstrations as an integrated whole. The framework allows LVLMs to optimize themselves by continually refining their demonstrations through self-exploration, enabling the ability to autonomously identify and generate the most effective selection policies for in-context learning. Experimental results verify the superior performance of our approach on four Visual Question-Answering (VQA) datasets, demonstrating its effectiveness in enhancing the generalization capability of few-shot LVLMs.

cs.CV↗

arXiv2025

Computational Thinking Reasoning in Large Language Models

While large language models (LLMs) have demonstrated remarkable reasoning capabilities, they often struggle with complex tasks that require specific thinking paradigms, such as divide-and-conquer and procedural deduction, \etc Previous researches integrate external, reliable tools to alleviate logical inconsistencies and hallucinations in LLMs' problem-solving processes. However, we argue that the root challenge is more profound: LLMs lack the complex thinking paradigms (\ie, computational thinking) during reasoning. In this paper, we propose Computational Thinking Model (CTM), a novel framework that incorporates computational thinking paradigms into LLMs. This framework enables LLMs to reformulate complex problems through decomposition, abstraction, reduction, and simulation, among other techniques. Specifically, live code execution is seamlessly integrated into the reasoning process, allowing CTM to think by computing. CTM directly instills computational thinking objectives into LLMs through tailored reinforcement learning rewards, which encourages problem simplification, modular planning, and iterative verification. We conduct extensive evaluations on multiple code generation and mathematical benchmarks. The results demonstrate that CTM outperforms conventional reasoning models and tool-augmented baselines in terms of accuracy, interpretability, and generalizability. We hope this study offers valuable insights for AI reasoning, where LLMs can transform problems into robust, verifiable, and scalable computational workflows, much like computer scientists do.

cs.SE↗

arXiv2025

Focused-DPO: Enhancing Code Generation Through Focused Preference Optimization on Error-Prone Points

Code generation models have shown significant potential for automating programming tasks. However, the challenge of generating accurate and reliable code persists due to the highly complex and long-reasoning nature of the task. Even state-of-the-art models often fail in code generation due to small errors, which can drastically affect the overall functionality of code. Our study identifies that current models tend to produce errors concentrated at specific error-prone points, which significantly impacts the accuracy of the generated code. To address this issue, we introduce Focused-DPO, a framework that enhances code generation by directing preference optimization towards these critical error-prone areas. This approach builds on Direct Preference Optimization, emphasizing accuracy in parts prone to errors. Additionally, we develop a method called Error-Point Identification, which constructs a dataset that targets these problematic points without requiring costly human annotations. Our experiments on benchmarks such as HumanEval(+), MBPP(+), and LiveCodeBench demonstrate that Focused-DPO significantly improves the precision and reliability of code generation, reducing common errors and enhancing overall code quality. By focusing on error-prone points, Focused-DPO advances the accuracy and functionality of model-generated code.

cs.SE↗

arXiv2025

ColorGo: Directed Concolic Execution

Directed fuzzing is a critical technique in cybersecurity, targeting specific sections of a program. This approach is essential in various security-related domains such as crash reproduction, patch testing, and vulnerability detection. Despite its importance, current directed fuzzing methods exhibit a trade-off between efficiency and effectiveness. For instance, directed grey-box fuzzing, while efficient in generating fuzzing inputs, lacks sufficient precision. The low precision causes time wasted on executing code that cannot help reach the target site. Conversely, interpreter- or observer-based directed symbolic execution can produce high-quality inputs while incurring non-negligible runtime overhead. These limitations undermine the feasibility of directed fuzzers in real-world scenarios. To kill the birds of efficiency and effectiveness with one stone, in this paper, we involve compilation-based concolic execution into directed fuzzing and present ColorGo, achieving high scalability while preserving the high precision from symbolic execution. ColorGo is a new directed whitebox fuzzer that concretely executes the instrumented program with constraint-solving capability on generated input. It guides the exploration by \textit{incremental coloration}, including static reachability analysis and dynamic feasibility analysis. We evaluated ColorGo on diverse real-world programs and demonstrated that ColorGo outperforms AFLGo by up to \textbf{100x} in reaching target sites and reproducing target crashes.

cs.CR↗

arXiv2025

How does Misinformation Affect Large Language Model Behaviors and Preferences?

Large Language Models (LLMs) have shown remarkable capabilities in knowledge-intensive tasks, while they remain vulnerable when encountering misinformation. Existing studies have explored the role of LLMs in combating misinformation, but there is still a lack of fine-grained analysis on the specific aspects and extent to which LLMs are influenced by misinformation. To bridge this gap, we present MisBench, the current largest and most comprehensive benchmark for evaluating LLMs' behavior and knowledge preference toward misinformation. MisBench consists of 10,346,712 pieces of misinformation, which uniquely considers both knowledge-based conflicts and stylistic variations in misinformation. Empirical results reveal that while LLMs demonstrate comparable abilities in discerning misinformation, they still remain susceptible to knowledge conflicts and stylistic variations. Based on these findings, we further propose a novel approach called Reconstruct to Discriminate (RtD) to strengthen LLMs' ability to detect misinformation. Our study provides valuable insights into LLMs' interactions with misinformation, and we believe MisBench can serve as an effective benchmark for evaluating LLM-based detectors and enhancing their reliability in real-world applications. Codes and data are available at https://github.com/GKNL/MisBench.

cs.CL↗

arXiv2025

Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey

Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to solving some of the most pressing global challenges. In recent years, the growing availability of high-quality materials data combined with rapid advances in Artificial Intelligence (AI) has opened new opportunities for accelerating materials discovery. Data-driven generative models provide a powerful tool for materials design by directly create novel materials that satisfy predefined property requirements. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. To fill this gap, this paper provides a comprehensive overview of recent progress in AI-driven materials generation. We first organize various types of materials and illustrate multiple representations of crystalline materials. We then provide a detailed summary and taxonomy of current AI-driven materials generation approaches. Furthermore, we discuss the common evaluation metrics and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future directions and challenges in this fast-growing field. The related sources can be found at https://github.com/ZhixunLEE/Awesome-AI-for-Materials-Generation.

cond-mat.mtrl-sci↗

arXiv2025

Theoretical Proof that Auto-regressive Language Models Collapse when Real-world Data is a Finite Set

Auto-regressive language models (LMs) have been widely used to generate data in data-scarce domains to train new LMs, compensating for the scarcity of real-world data. Previous work experimentally found that LMs collapse when trained on recursively generated data. This paper presents a theoretical proof: once a corpus (such as a subset of the World Wide Web) begins to incorporate generated data and no new real-world data is added to the corpus, then no matter how small the amount of data each LM generates and contributes to the corpus, LM collapse is inevitable after sufficient time. This finding suggests that attempts to mitigate collapse by limiting the quantity of synthetic data in the corpus are fundamentally insufficient. Instead, avoiding collapse hinges on ensuring the quality of synthetic data.

cs.CL↗

arXiv2025

NOFT: Test-Time Noise Finetune via Information Bottleneck for Highly Correlated Asset Creation

The diffusion model has provided a strong tool for implementing text-to-image (T2I) and image-to-image (I2I) generation. Recently, topology and texture control are popular explorations, e.g., ControlNet, IP-Adapter, Ctrl-X, and DSG. These methods explicitly consider high-fidelity controllable editing based on external signals or diffusion feature manipulations. As for diversity, they directly choose different noise latents. However, the diffused noise is capable of implicitly representing the topological and textural manifold of the corresponding image. Moreover, it's an effective workbench to conduct the trade-off between content preservation and controllable variations. Previous T2I and I2I diffusion works do not explore the information within the compressed contextual latent. In this paper, we first propose a plug-and-play noise finetune NOFT module employed by Stable Diffusion to generate highly correlated and diverse images. We fine-tune seed noise or inverse noise through an optimal-transported (OT) information bottleneck (IB) with around only 14K trainable parameters and 10 minutes of training. Our test-time NOFT is good at producing high-fidelity image variations considering topology and texture alignments. Comprehensive experiments demonstrate that NOFT is a powerful general reimagine approach to efficiently fine-tune the 2D/3D AIGC assets with text or image guidance.

cs.CV↗

arXiv2025

GDNTT: an Area-Efficient Parallel NTT Accelerator Using Glitch-Driven Near-Memory Computing and Reconfigurable 10T SRAM

With the rapid advancement of quantum computing technology, post-quantum cryptography (PQC) has emerged as a pivotal direction for next-generation encryption standards. Among these, lattice-based cryptographic schemes rely heavily on the fast Number Theoretic Transform (NTT) over polynomial rings, whose performance directly determines encryption/decryption throughput and energy efficiency. However, existing software-based NTT implementations struggle to meet the real-time performance and low-power requirements of IoT and edge devices. To address this challenge, this paper proposes an area-efficient highly parallel NTT accelerator with glitch-driven near-memory computing (GDNTT). The design integrates a 10T SRAM for data storage, enabling flexible row/column data access and streamlining circuit mapping strategies. Furthermore, a glitch generator is incorporated into the near-memory computing unit, significantly reducing the latency of butterfly operations. Evaluation results show that the proposed NTT accelerator achieves a 1.5~28* improvement in throughput-per-area compared to the state-of-the-art.

cs.CR↗

arXiv2025

FNBench: Benchmarking Robust Federated Learning against Noisy Labels

Robustness to label noise within data is a significant challenge in federated learning (FL). From the data-centric perspective, the data quality of distributed datasets can not be guaranteed since annotations of different clients contain complicated label noise of varying degrees, which causes the performance degradation. There have been some early attempts to tackle noisy labels in FL. However, there exists a lack of benchmark studies on comprehensively evaluating their practical performance under unified settings. To this end, we propose the first benchmark study FNBench to provide an experimental investigation which considers three diverse label noise patterns covering synthetic label noise, imperfect human-annotation errors and systematic errors. Our evaluation incorporates eighteen state-of-the-art methods over five image recognition datasets and one text classification dataset. Meanwhile, we provide observations to understand why noisy labels impair FL, and additionally exploit a representation-aware regularization method to enhance the robustness of existing methods against noisy labels based on our observations. Finally, we discuss the limitations of this work and propose three-fold future directions. To facilitate related communities, our source code is open-sourced at https://github.com/Sprinter1999/FNBench.

cs.CV↗

arXiv2025

CombiBench: Benchmarking LLM Capability for Combinatorial Mathematics

Neurosymbolic approaches integrating large language models with formal reasoning have recently achieved human-level performance on mathematics competition problems in algebra, geometry and number theory. In comparison, combinatorics remains a challenging domain, characterized by a lack of appropriate benchmarks and theorem libraries. To address this gap, we introduce CombiBench, a comprehensive benchmark comprising 100 combinatorial problems, each formalized in Lean~4 and paired with its corresponding informal statement. The problem set covers a wide spectrum of difficulty levels, ranging from middle school to IMO and university level, and span over ten combinatorial topics. CombiBench is suitable for testing IMO solving capabilities since it includes all IMO combinatorial problems since 2000 (except IMO 2004 P3 as its statement contain an images). Furthermore, we provide a comprehensive and standardized evaluation framework, dubbed Fine-Eval (for $\textbf{F}$ill-in-the-blank $\textbf{in}$ L$\textbf{e}$an Evaluation), for formal mathematics. It accommodates not only proof-based problems but also, for the first time, the evaluation of fill-in-the-blank questions. Using Fine-Eval as the evaluation method and Kimina Lean Server as the backend, we benchmark several LLMs on CombiBench and observe that their capabilities for formally solving combinatorial problems remain limited. Among all models tested (none of which has been trained for this particular task), Kimina-Prover attains the best results, solving 7 problems (out of 100) under both ``with solution'' and ``without solution'' scenarios. We open source the benchmark dataset alongside with the code of the proposed evaluation method at https://github.com/MoonshotAI/CombiBench/.

cs.AI↗

arXiv2025

Goedel-Prover: A Frontier Model for Open-Source Automated Theorem Proving

We introduce Goedel-Prover, an open-source language model that achieves state-of-the-art (as of April 5 2025) performance in automated formal proof generation for mathematical problems. A key challenge in this field is the scarcity of formalized mathematical statements and proofs, which we address through the following approaches. First, we train LLMs to convert natural language math problems from the Numina dataset to equivalent formal statements in Lean 4. This process creates the dataset Goedel-Pset-v1, which includes 1.64 million formal statements. Next, we develop a large dataset of formal proofs by training a series of provers. Each new prover can prove many statements that previous ones could not, and these new proofs are added to the training set for the next prover. Finally, we obtain the dataset Goedel-Pset-v1-solved, which contains proofs for over 800K statements from Goedel-Pset-v1. Supervised fine-tuning (SFT) of DeepSeek-Prover-V1.5-Base on Goedel-Pset-v1-solved (i.e., no RL) yields a Goedel-Prover-SFT that achieves a success rate of 57.6% (Pass@32) on miniF2F, surpassing the previous leader DeepSeek-Prover-V1.5-RL (trained using SFT + RL on a proprietary dataset) by 7.6%. On PutnamBench, Goedel-Prover-SFT successfully solves 7 problems (Pass@512), ranking first on the leaderboard. We provide extensive discussion of our training methodology, highlighting the key design choices that contribute to Goedel-Prover's strong performance. Further RL training (including DPO) improves Goedel-Prover-SFT's success rate to over 60% (Pass@32) on miniF2F. To aid future research, we provide extensive discussion of our training methodology and design choices. We also fully open-source our codes, models, and datasets. Additionally, we open-source formal proofs for 29.7K problems in Lean Workbook, nearly doubling the 15.7K solved by prior provers.

cs.LG↗

arXiv2025

The Tenth NTIRE 2025 Image Denoising Challenge Report

This paper presents an overview of the NTIRE 2025 Image Denoising Challenge (σ = 50), highlighting the proposed methodologies and corresponding results. The primary objective is to develop a network architecture capable of achieving high-quality denoising performance, quantitatively evaluated using PSNR, without constraints on computational complexity or model size. The task assumes independent additive white Gaussian noise (AWGN) with a fixed noise level of 50. A total of 290 participants registered for the challenge, with 20 teams successfully submitting valid results, providing insights into the current state-of-the-art in image denoising.

cs.CV↗

arXiv2025

Kimina-Prover Preview: Towards Large Formal Reasoning Models with Reinforcement Learning

We introduce Kimina-Prover Preview, a large language model that pioneers a novel reasoning-driven exploration paradigm for formal theorem proving, as showcased in this preview release. Trained with a large-scale reinforcement learning pipeline from Qwen2.5-72B, Kimina-Prover demonstrates strong performance in Lean 4 proof generation by employing a structured reasoning pattern we term \textit{formal reasoning pattern}. This approach allows the model to emulate human problem-solving strategies in Lean, iteratively generating and refining proof steps. Kimina-Prover sets a new state-of-the-art on the miniF2F benchmark, reaching 80.7% with pass@8192. Beyond improved benchmark performance, our work yields several key insights: (1) Kimina-Prover exhibits high sample efficiency, delivering strong results even with minimal sampling (pass@1) and scaling effectively with computational budget, stemming from its unique reasoning pattern and RL training; (2) we demonstrate clear performance scaling with model size, a trend previously unobserved for neural theorem provers in formal mathematics; (3) the learned reasoning style, distinct from traditional search algorithms, shows potential to bridge the gap between formal verification and informal mathematical intuition. We open source distilled versions with 1.5B and 7B parameters of Kimina-Prover

cs.AI↗

arXiv2025

ClassEval-T: Evaluating Large Language Models in Class-Level Code Translation

In recent years, Large Language Models (LLMs) have dramatically advanced the performance of automated code translation, making their computational accuracy score reach up to over 80% on many previous benchmarks. However, most code samples in these benchmarks are short, standalone, statement/method-level, and algorithmic, which is not aligned with practical coding tasks. Therefore, it is still unknown the actual capability of LLMs in translating code samples written for daily development. To achieve this, we construct a class-level code translation benchmark, ClassEval-T, and make the first attempt to extensively assess recent LLMs' performance on class-level code translation. ClassEval-T is extended from ClassEval, a well-known class-level Python code generation benchmark consisting of multiple practical coding topics, such as database operation and game design, and diverse contextual dependencies (e.g., fields, methods, and libraries). It cost us 360 person-hours to accomplish the manual migration to Java and C++ with complete code samples and associated test suites. Subsequently, we design three translation strategies (i.e., holistic, min-dependency, and standalone) for class-level code translations and evaluate eight recent LLMs of commercial, general, and code kinds in diverse families and sizes on ClassEval-T. Experimental results demonstrate a remarkable performance drop compared with the most widely studied method-level code translation benchmark, and obvious discrepancies among LLMs appear, showing the effectiveness of ClassEval-T in measuring recent LLMs. Afterwards, we further discuss the usage scenarios for diverse translation strategies and LLMs' ability to dependency awareness when translating class samples. Finally, 1,243 failure cases made by the best-performing LLM under test are analyzed and categorized in this paper for practical guidance and future enlightenment.

cs.SE↗