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While powerful, the inherent non-determinism of large language model (LLM) agents limits their application in structured operational environments where procedural fidelity and predictable execution are strict requirements. This limitation…

Software Engineering · Computer Science 2025-08-06 Libin Qiu , Yuhang Ye , Zhirong Gao , Xide Zou , Junfu Chen , Ziming Gui , Weizhi Huang , Xiaobo Xue , Wenkai Qiu , Kun Zhao

Existing LLM agents for computational materials science are constrained by pipeline-bounded architectures tied to specific simulation codes and by dependence on manually written tool functions that grow with task scope. We present MatClaw,…

Materials Science · Physics 2026-05-25 Chenmu Zhang , Boris I. Yakobson

In modern software development, developers frequently need to understand code behavior at a glance -- whether reviewing pull requests, debugging issues, or navigating unfamiliar codebases. This ability to reason about dynamic program…

Software Engineering · Computer Science 2026-02-17 Yunkun Wang , Xuanhe Zhang , Junxiao Han , Chen Zhi , Shuiguang Deng

Multimodal Large Language Models (MLLMs) struggle with precise reasoning for structured visuals like charts and diagrams, as pixel-based perception lacks a mechanism for verification. To address this, we propose to leverage derendering --…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Junhong Shen , Mu Cai , Bo Hu , Ameet Talwalkar , David A Ross , Cordelia Schmid , Alireza Fathi

Structured reasoning over natural language inputs remains a core challenge in artificial intelligence, as it requires bridging the gap between unstructured linguistic expressions and formal logical representations. In this paper, we propose…

Artificial Intelligence · Computer Science 2025-07-14 Keying Yang , Hao Wang , Kai Yang

Many reasoning, planning, and problem-solving tasks share an intrinsic algorithmic nature: correctly simulating each step is a sufficient condition to solve them correctly. We collect pairs of naturalistic and synthetic reasoning tasks to…

Estimating task progress requires reasoning over long-horizon dynamics rather than recognizing static visual content. While modern Vision-Language Models (VLMs) excel at describing what is visible, it remains unclear whether they can infer…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Jianshu Zhang , Chengxuan Qian , Haosen Sun , Haoran Lu , Dingcheng Wang , Letian Xue , Han Liu

Code reasoning is a fundamental capability for large language models (LLMs) in the code domain. It involves understanding and predicting a program's execution behavior, such as determining the output for a given input or whether a specific…

Software Engineering · Computer Science 2025-07-24 Lingxiao Tang , He Ye , Zhongxin Liu , Xiaoxue Ren , Lingfeng Bao

With the continuous expansion of Large Language Models (LLMs) and advances in reinforcement learning, LLMs have demonstrated exceptional reasoning capabilities, enabling them to address a wide range of complex problems. Inspired by these…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Hongrui Jia , Chaoya Jiang , Shikun Zhang , Wei Ye

Recent work has shown that integrating large language models (LLMs) with theorem provers (TPs) in neuro-symbolic pipelines helps with entailment verification and proof-guided refinement of explanations for natural language inference (NLI).…

Computation and Language · Computer Science 2026-01-28 Xin Quan , Marco Valentino , Louise A. Dennis , André Freitas

Increasing complexity in software systems places a growing demand on reasoning tools that unlock vulnerabilities manifest in source code. Many current approaches focus on vulnerability analysis as a classifying task, oversimplifying the…

Artificial Intelligence · Computer Science 2025-09-23 Ala Jararweh , Michael Adams , Avinash Sahu , Abdullah Mueen , Afsah Anwar

Large language models (LLMs) with Chain-of-Thought (CoT) prompting achieve strong reasoning but often produce unnecessarily long explanations, increasing cost and sometimes reducing accuracy. Fair comparison of efficiency-oriented…

Computation and Language · Computer Science 2025-11-14 Junquan Huang , Haotian Wu , Yubo Gao , Yibo Yan , Junyan Zhang , Yonghua Hei , Song Dai , Jie Zhang , Puay Siew Tan , Xuming Hu

Autonomous driving requires generating safe and reliable trajectories from complex multimodal inputs. Traditional modular pipelines separate perception, prediction, and planning, while recent end-to-end (E2E) systems learn them jointly.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Qihang Peng , Xuesong Chen , Chenye Yang , Shaoshuai Shi , Hongsheng Li

Image-to-code generation tests whether a vision-language model (VLM) can recover the structure of an image enough to express it as executable code. Existing benchmarks either focus on narrow visual domains, depend on paired executable…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Ajay Vikram Periasami , Junlin Wang , Bhuwan Dhingra

There is an increasing body of work using Large Language Models (LLMs) as agents for orchestrating workflows and making decisions in domains that require planning and multi-step reasoning. As a result, it is imperative to evaluate LLMs on…

Artificial Intelligence · Computer Science 2026-03-03 Harsha Kokel , Michael Katz , Kavitha Srinivas , Shirin Sohrabi

Large language models have demonstrated substantial advancements in reasoning capabilities. However, current Vision-Language Models (VLMs) often struggle to perform systematic and structured reasoning, especially when handling complex…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Guowei Xu , Peng Jin , Ziang Wu , Hao Li , Yibing Song , Lichao Sun , Li Yuan

With the increasing popularity of large language models (LLMs), reasoning on basic graph algorithm problems is an essential intermediate step in assessing their abilities to process and infer complex graph reasoning tasks. Existing methods…

Computation and Language · Computer Science 2024-08-27 Qiaolong Cai , Zhaowei Wang , Shizhe Diao , James Kwok , Yangqiu Song

Reasoning capability is pivotal for Large Language Models (LLMs) to solve complex tasks, yet achieving reliable and scalable reasoning remains challenging. While Chain-of-Thought (CoT) prompting has become a mainstream approach, existing…

Computation and Language · Computer Science 2025-10-07 Honglin Lin , Qizhi Pei , Xin Gao , Zhuoshi Pan , Yu Li , Juntao Li , Conghui He , Lijun Wu

Iterative code generation with Large Language Models (LLMs) can be viewed as an optimization process guided by textual feedback. However, existing LLM self-correction methods predominantly operate in a stateless, trial-and-error manner akin…

Machine Learning · Computer Science 2026-03-31 Zizheng Zhang , Yuyang Liao , Chen Chen , Jian He , Dun Wu , Qianjin Yu , Yanqin Gao , Jin Yang , Kailai Zhang , Eng Siong Chng , Xionghu Zhong

While large language models (LLMs) leverage both knowledge and reasoning during inference, the capacity to distinguish between them plays a pivotal role in model analysis, interpretability, and development. Inspired by dual-system cognitive…

Artificial Intelligence · Computer Science 2025-07-25 Mutian Yang , Jiandong Gao , Ji Wu
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