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The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Conceptual reasoning, the ability to reason in abstract and high-level perspectives, is key to generalization in human cognition. However, limited study has been done on large language models' capability to perform conceptual reasoning. In…

Computation and Language · Computer Science 2024-04-02 Ben Zhou , Hongming Zhang , Sihao Chen , Dian Yu , Hongwei Wang , Baolin Peng , Dan Roth , Dong Yu

Chain-of-thought (CoT) prompting has become central to mathematical reasoning in large language models, yet models remain brittle to early errors: a single arithmetic slip or unjustified inference typically propagates uncorrected to an…

Machine Learning · Computer Science 2025-12-22 Saraswathy Amjith , Mihika Dusad , Neha Muramalla , Shweta Shah

Large Reasoning Models (LRMs) solve complex tasks by generating long Chain-of-Thought (CoT) sequences; however, the emergent dynamics governing reasoning trajectories are not well understood and can lead to inconsistencies and reasoning…

Artificial Intelligence · Computer Science 2026-05-29 G M Shahariar , Erfan Shayegani , Ali Nazari , Nael Abu-Ghazaleh

Large Language Models (LLMs) have demonstrated remarkable capabilities in various reasoning tasks, yet they often struggle with problems involving missing information, exhibiting issues such as incomplete responses, factual errors, and…

Artificial Intelligence · Computer Science 2025-12-12 Yuxin Liu , Chaojie Gu , Yihang Zhang , Bin Qian , Shibo He

Recent advancements in Large Language Models (LLMs) have significantly enhanced their ability to perform complex reasoning tasks, transitioning from fast and intuitive thinking (System 1) to slow and deep reasoning (System 2). While System…

Computation and Language · Computer Science 2025-04-01 Rui Wang , Hongru Wang , Boyang Xue , Jianhui Pang , Shudong Liu , Yi Chen , Jiahao Qiu , Derek Fai Wong , Heng Ji , Kam-Fai Wong

Achieving human-level intelligence requires refining the transition from the fast, intuitive System 1 to the slower, more deliberate System 2 reasoning. While System 1 excels in quick, heuristic decisions, System 2 relies on logical…

Chain-of-Thought (CoT) prompting plays an indispensable role in endowing large language models (LLMs) with complex reasoning capabilities. However, CoT currently faces two fundamental challenges: (1) Sufficiency, which ensures that the…

Computation and Language · Computer Science 2025-10-28 Xiangning Yu , Zhuohan Wang , Linyi Yang , Haoxuan Li , Anjie Liu , Xiao Xue , Jun Wang , Mengyue Yang

Although large language models (LLMs) have achieved excellent performance in a variety of evaluation benchmarks, they still struggle in complex reasoning tasks which require specific knowledge and multi-hop reasoning. To improve the…

Computation and Language · Computer Science 2023-11-07 Zhipeng Chen , Kun Zhou , Beichen Zhang , Zheng Gong , Wayne Xin Zhao , Ji-Rong Wen

Despite the remarkable success of large language models (LLMs) on traditional natural language processing tasks, their planning ability remains a critical bottleneck in tackling complex multi-step reasoning tasks. Existing approaches mainly…

Computation and Language · Computer Science 2024-10-07 Jiaxin Wen , Jian Guan , Hongning Wang , Wei Wu , Minlie Huang

Large language models (LLMs) are increasingly used in domains where causal reasoning matters, yet it remains unclear whether their judgments reflect normative causal computation, human-like shortcuts, or brittle pattern matching. We…

Artificial Intelligence · Computer Science 2026-03-16 Hanna M. Dettki , Charley M. Wu , Bob Rehder

Scientific knowledge discovery increasingly relies on large language models, yet many existing scholarly assistants depend on proprietary systems with tens or hundreds of billions of parameters. Such reliance limits reproducibility and…

Information Retrieval · Computer Science 2026-04-23 Florian Kelber , Matthias Jobst , Yuni Susanti , Michael Färber

Chain-of-Thought (CoT) prompting has proven remarkably effective for eliciting complex reasoning in large language models (LLMs). Yet, its potential in multimodal large language models (MLLMs) remains largely untapped, hindered by the…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Lingxiao Li , Yifan Wang , Xinyan Gao , Chen Tang , Xiangyu Yue , Chenyu You

With the emergence of advanced reasoning models like OpenAI o3 and DeepSeek-R1, large language models (LLMs) have demonstrated remarkable reasoning capabilities. However, their ability to perform rigorous logical reasoning remains an open…

Artificial Intelligence · Computer Science 2025-02-14 Hanmeng Liu , Zhizhang Fu , Mengru Ding , Ruoxi Ning , Chaoli Zhang , Xiaozhang Liu , Yue Zhang

Reasoning-enhanced large language models (RLLMs), whether explicitly trained for reasoning or prompted via chain-of-thought (CoT), have achieved state-of-the-art performance on many complex reasoning tasks. However, we uncover a surprising…

Computation and Language · Computer Science 2025-09-03 Xiaomin Li , Zhou Yu , Zhiwei Zhang , Xupeng Chen , Ziji Zhang , Yingying Zhuang , Narayanan Sadagopan , Anurag Beniwal

We study the task of prompting large-scale language models to perform multi-step reasoning. Existing work shows that when prompted with a chain of thoughts (CoT), sequences of short sentences describing intermediate reasoning steps towards…

Computation and Language · Computer Science 2023-01-31 Yao Fu , Hao Peng , Ashish Sabharwal , Peter Clark , Tushar Khot

While Chain-of-Thought (CoT) prompting has significantly advanced the reasoning capabilities of Multimodal Large Language Models (MLLMs), relying solely on linear text sequences remains a bottleneck for complex tasks. We observe that even…

Computation and Language · Computer Science 2026-02-12 Lingzhuang Sun , Yuxia Zhu , Ruitong Liu , Hao Liang , Zheng Sun , Caijun Jia , Honghao He , Yuchen Wu , Siyuan Li , Jingxuan Wei , Xiangxiang Zhang , Bihui Yu , Wentao Zhang

Chain-of-Thought (CoT) prompting helps Large Language Models (LLMs) tackle complex reasoning by eliciting explicit step-by-step rationales. However, CoT's verbosity increases latency and memory usage and may propagate early errors across…

Computation and Language · Computer Science 2025-09-30 Hongyu Shan , Mingyang Song , Chang Dai , Di Liang , Han Chen

Large language models (LLMs) have shown impressive promise in code generation, yet their progress remains limited by the shortage of large-scale datasets that are both diverse and well-aligned with human reasoning. Most existing resources…

Machine Learning · Computer Science 2025-10-28 Amal Abed , Ivan Lukic , Jörg K. H. Franke , Frank Hutter

Large language models (LLMs) equipped with chain-of-thought (CoT) achieve strong performance and offer a window into LLM behavior. However, recent evidence suggests that improvements in CoT capabilities often come with redundant reasoning…

Computation and Language · Computer Science 2026-02-03 Yanrui Du , Sendong Zhao , Yibo Gao , Danyang Zhao , Qika Lin , Ming Ma , Jiayun Li , Yi Jiang , Kai He , Qianyi Xu , Bing Qin , Mengling Feng