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Reasoning models have demonstrated remarkable progress in solving complex and logic-intensive tasks by generating extended Chain-of-Thoughts (CoTs) prior to arriving at a final answer. Yet, the emergence of this "slow-thinking" paradigm,…

Computation and Language · Computer Science 2025-09-30 Sicheng Feng , Gongfan Fang , Xinyin Ma , Xinchao Wang

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Machine Learning · Computer Science 2025-10-20 Jiaxi Zhuang , Yaorui Shi , Jue Hou , Yunong He , Mingwei Ye , Mingjun Xu , Yuming Su , Linfeng Zhang , Ying Qian , Linfeng Zhang , Guolin Ke , Hengxing Cai

Reasoning is a hallmark of human intelligence, enabling adaptive decision-making in complex and unfamiliar scenarios. In contrast, machine intelligence remains bound to training data, lacking the ability to dynamically refine solutions at…

Computer Vision and Pattern Recognition · Computer Science 2025-06-30 Shaheer U. Saeed , Yipei Wang , Veeru Kasivisvanathan , Brian R. Davidson , Matthew J. Clarkson , Yipeng Hu , Daniel C. Alexander

Chain-of-thought (CoT) reasoning has exhibited impressive performance in language models for solving complex tasks and answering questions. However, many real-world questions require multi-modal information, such as text and images.…

Artificial Intelligence · Computer Science 2023-12-15 Liqi He , Zuchao Li , Xiantao Cai , Ping Wang

Recent advancements in reasoning with large language models (RLLMs), such as OpenAI-O1 and DeepSeek-R1, have demonstrated their impressive capabilities in complex domains like mathematics and coding. A central factor in their success lies…

Artificial Intelligence · Computer Science 2025-07-21 Qiguang Chen , Libo Qin , Jinhao Liu , Dengyun Peng , Jiannan Guan , Peng Wang , Mengkang Hu , Yuhang Zhou , Te Gao , Wanxiang Che

Reasoning lies at the heart of intelligence, shaping the ability to make decisions, draw conclusions, and generalize across domains. In artificial intelligence, as systems increasingly operate in open, uncertain, and multimodal…

Massively multitask neural architectures provide a learning framework for drug discovery that synthesizes information from many distinct biological sources. To train these architectures at scale, we gather large amounts of data from public…

Machine Learning · Statistics 2015-02-10 Bharath Ramsundar , Steven Kearnes , Patrick Riley , Dale Webster , David Konerding , Vijay Pande

Chain-of-thought (CoT) reasoning has emerged as an effective approach for activating latent capabilities in LLMs. Interestingly, we observe that both CoT reasoning and self-training share the core objective: iteratively leveraging…

Computation and Language · Computer Science 2025-05-27 Zongqian Wu , Baoduo Xu , Ruochen Cui , Mengmeng Zhan , Xiaofeng Zhu , Lei Feng

Multimodal reasoning is a critical component in the pursuit of artificial intelligence systems that exhibit human-like intelligence, especially when tackling complex tasks. While the chain-of-thought (CoT) technique has gained considerable…

Artificial Intelligence · Computer Science 2023-09-26 Jingxuan Wei , Cheng Tan , Zhangyang Gao , Linzhuang Sun , Siyuan Li , Bihui Yu , Ruifeng Guo , Stan Z. Li

Chain of Thought (CoT) prompting can encourage language models to engage in multi-step logical reasoning. The quality of the provided demonstrations significantly influences the success of downstream inference tasks. Current unsupervised…

Computation and Language · Computer Science 2025-05-27 Yufeng Zhang , Xuepeng Wang , Lingxiang Wu , Jinqiao Wang

Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens,…

Computation and Language · Computer Science 2025-06-11 Tergel Munkhbat , Namgyu Ho , Seo Hyun Kim , Yongjin Yang , Yujin Kim , Se-Young Yun

Large Language Models (LLMs) are increasingly deployed as reasoning systems, where reasoning paradigms - such as Chain-of-Thought (CoT) and multi-agent systems (MAS) - play a critical role, yet their relative effectiveness and cost-accuracy…

Machine Learning · Computer Science 2026-01-21 Yapeng Li , Jiakuo Yu , Zhixin Liu , Xinnan Liu , Jing Yu , Songze Li , Tonghua Su

Emerging reasoning models hold promise for automating scientific discovery. However, their training is hindered by a critical supervision gap: experimental outcomes are abundant, whereas intermediate reasoning steps are rarely documented at…

Biomolecules · Quantitative Biology 2026-03-24 Zequn Liu , Kehan Wu , Shufang Xie , Zekun Guo , Wei Zhang , Tao Qin , Renhe Liu , Yingce Xia

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate…

Computation and Language · Computer Science 2025-03-20 Honglin Lin , Zhuoshi Pan , Yu Li , Qizhi Pei , Xin Gao , Mengzhang Cai , Conghui He , Lijun Wu

Large Reasoning Models (LRMs) demonstrate remarkable capabilities on complex tasks, exhibiting emergent, human-like thinking patterns. Despite their advances, we identify a fundamental limitation: current LRMs lack a dedicated meta-level…

Artificial Intelligence · Computer Science 2025-08-26 Haonan Dong , Haoran Ye , Wenhao Zhu , Kehan Jiang , Guojie Song

In this paper, we address the challenging task of multimodal reasoning by incorporating the notion of ``slow thinking'' into multimodal large language models (MLLMs). Our core idea is that models can learn to adaptively use different levels…

Computer Vision and Pattern Recognition · Computer Science 2026-01-12 Kun Xiang , Zhili Liu , Terry Jingchen Zhang , Yinya Huang , Yunshuang Nie , Kaixin Cai , Yiyang Yin , Runhui Huang , Hanhui Li , Yihan Zeng , Yu-Jie Yuan , Jianhua Han , Lanqing Hong , Hang Xu , Xiaodan Liang

Large language models (LLMs) are often constrained by rigid reasoning processes, limiting their ability to generate creative and diverse responses. To address this, a novel framework called LADDER is proposed, combining Chain-of-Thought…

Computation and Language · Computer Science 2025-06-17 Xintong Tang , Meiru Zhang , Shang Xiao , Junzhao Jin , Zihan Zhao , Liwei Li , Yang Zheng , Bangyi Wu

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 have achieved remarkable capabilities across domains, yet mechanisms underlying sophisticated reasoning remain elusive. Recent reasoning models outperform comparable instruction-tuned models on complex cognitive tasks,…

Computation and Language · Computer Science 2026-01-19 Junsol Kim , Shiyang Lai , Nino Scherrer , Blaise Agüera y Arcas , James Evans

Large Reasoning Models (LRMs) achieve promising performance but compromise token efficiency due to verbose reasoning processes. Unconscious Thought Theory (UTT) posits that complex problems can be solved more efficiently through…

Computation and Language · Computer Science 2025-05-27 Ruihan Gong , Yue Liu , Wenjie Qu , Mingzhe Du , Yufei He , Yingwei Ma , Yulin Chen , Xiang Liu , Yi Wen , Xinfeng Li , Ruidong Wang , Xinzhong Zhu , Bryan Hooi , Jiaheng Zhang