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The reliability of large language models (LLMs) during test-time scaling is often assessed with \emph{external verifiers} or \emph{reward models} that distinguish correct reasoning from flawed logic. Prior work generally assumes that…

Algorithmic reasoning refers to the ability to understand the complex patterns behind the problem and decompose them into a sequence of reasoning steps towards the solution. Such nature of algorithmic reasoning makes it a challenge for…

Evaluating large language models (LLMs) on final-answer correctness is the dominant paradigm. This approach, however, provides a coarse signal for model improvement and overlooks the quality of the underlying reasoning process. We argue…

Artificial Intelligence · Computer Science 2025-10-24 Heejin Do , Jaehui Hwang , Dongyoon Han , Seong Joon Oh , Sangdoo Yun

Large Language Models (LLMs) have demonstrated impressive reasoning capabilities, leading to their adoption in high-stakes domains such as healthcare, law, and scientific research. However, their reasoning often contains subtle logical…

Software Engineering · Computer Science 2025-12-30 Xinyi Zheng , Ningke Li , Xiaokun Luan , Kailong Wang , Ling Shi , Meng Sun , Haoyu Wang

Multimodal large language models (MLLMs) still perform poorly on scientific tasks, particularly those requiring multi-step and interpretable reasoning. Their limitations include insufficient scientific reasoning patterns, lack of global…

Artificial Intelligence · Computer Science 2025-07-15 Chenglin Zhu , Tao Zhang , Chong Li , Mingan Lin , Zenan Zhou , Jian Xie

Large language models (LLMs) have been shown to perform better when asked to reason step-by-step before answering a question. However, it is unclear to what degree the model's final answer is faithful to the stated reasoning steps. In this…

Computation and Language · Computer Science 2024-10-08 Debjit Paul , Robert West , Antoine Bosselut , Boi Faltings

Large Language Models (LLMs) and Vision Language Models (VLMs) have recently shown promising capabilities in various scientific domain. In particular, these advances have opened new opportunities in drug discovery, where the ability to…

Artificial Intelligence · Computer Science 2026-05-13 Jueon Park , Wonjune Jang , Jiwoo Lee , Yein Park , Jaewoo Kang

We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a…

Artificial Intelligence · Computer Science 2024-02-07 Pei Zhou , Jay Pujara , Xiang Ren , Xinyun Chen , Heng-Tze Cheng , Quoc V. Le , Ed H. Chi , Denny Zhou , Swaroop Mishra , Huaixiu Steven Zheng

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

Artificial Intelligence · Computer Science 2026-05-22 Yuxuan Chen , Changwei Lv , Yunduo Xiao , Zhongjing Du , Daquan Zhou , Yukun Yan , Zheni Zeng , Zhiyuan Liu

Large Language Models (LLMs) have shown impressive reasoning capabilities in well-defined problems with clear solutions, such as mathematics and coding. However, they still struggle with complex real-world scenarios like business…

Computation and Language · Computer Science 2025-05-29 Xiaoqian Liu , Ke Wang , Yongbin Li , Yuchuan Wu , Wentao Ma , Aobo Kong , Fei Huang , Jianbin Jiao , Junge Zhang

Improving performance on complex tasks and enabling interpretable decision making in large language models (LLMs), especially for clinical applications, requires effective reasoning. Yet this remains challenging without supervised…

Computation and Language · Computer Science 2025-05-26 Che Liu , Haozhe Wang , Jiazhen Pan , Zhongwei Wan , Yong Dai , Fangzhen Lin , Wenjia Bai , Daniel Rueckert , Rossella Arcucci

Multimodal reasoning, which integrates language and visual cues into problem solving and decision making, is a fundamental aspect of human intelligence and a crucial step toward artificial general intelligence. However, the evaluation of…

Humans intuitively solve complex problems by flexibly shifting among reasoning modes: they plan, execute, revise intermediate goals, resolve ambiguity through associative judgment, and apply formal procedures to well-specified subproblems.…

Large reasoning models have achieved remarkable performance through extended chain-of-thought sequences, yet this computational freedom leads to excessive token generation even for simple problems. We present Length-Adaptive Policy…

Artificial Intelligence · Computer Science 2025-08-15 Xingyu Wu , Yuchen Yan , Shangke Lyu , Linjuan Wu , Yiwen Qiu , Yongliang Shen , Weiming Lu , Jian Shao , Jun Xiao , Yueting Zhuang

Large Language Models (LLMs) have demonstrated impressive capability in many natural language tasks. However, the auto-regressive generation process makes LLMs prone to produce errors, hallucinations and inconsistent statements when…

Artificial Intelligence · Computer Science 2024-07-23 Chaojie Wang , Yanchen Deng , Zhiyi Lyu , Liang Zeng , Jujie He , Shuicheng Yan , Bo An

Large Language Models (LLMs) have demonstrated remarkable efficiency in tackling various tasks based on human instructions, but studies reveal that they often struggle with tasks requiring reasoning, such as math or physics. This limitation…

Computation and Language · Computer Science 2024-10-08 Ruoyu Wang , Xiaoxuan Li , Lina Yao

The potential of large language models (LLMs) as decision support tools is increasingly being explored in fields such as business, engineering, and medicine, which often face challenging tasks of decision-making under uncertainty. In this…

Artificial Intelligence · Computer Science 2024-10-14 Ollie Liu , Deqing Fu , Dani Yogatama , Willie Neiswanger

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although…

Artificial Intelligence · Computer Science 2025-10-01 Yingqian Cui , Zhenwei Dai , Pengfei He , Bing He , Hui Liu , Xianfeng Tang , Jingying Zeng , Suhang Wang , Yue Xing , Jiliang Tang , Benoit Dumoulin

Recent studies have demonstrated that Large Language Models (LLMs) have strong mathematical reasoning abilities but rely on hundreds of billions of parameters. To tackle the challenge of poor reasoning in Small Language Models (SLMs),…

Computation and Language · Computer Science 2025-08-19 Xinhe Li , Jiajun Liu , Peng Wang
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