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Drug toxicity remains a major challenge in pharmaceutical development. Recent machine learning models have improved in silico toxicity prediction, but their reliance on annotated data and lack of interpretability limit their applicability.…

Machine Learning · Computer Science 2025-11-06 Jueon Park , Yein Park , Minju Song , Soyon Park , Donghyeon Lee , Seungheun Baek , Jaewoo Kang

Large language models (LLMs) such as GPT-4 have recently demonstrated impressive results across a wide range of tasks. LLMs are still limited, however, in that they frequently fail at complex reasoning, their reasoning processes are opaque,…

Large Language Models (LLMs) such as GPT-4 and LLaMA have demonstrated remarkable reasoning abilities but require significant computational resources for fine-tuning. This paper presents a resource-efficient fine-tuning approach for…

Computation and Language · Computer Science 2025-10-07 Imran Mansha

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks but their performance in complex logical reasoning tasks remains unsatisfactory. Although some prompting methods, such as Chain-of-Thought, can…

Computation and Language · Computer Science 2025-02-10 Tongxuan Liu , Wenjiang Xu , Weizhe Huang , Yuting Zeng , Jiaxing Wang , Xingyu Wang , Hailong Yang , Jing Li

Large language models (LLMs) excel at complex tasks thanks to advances in their reasoning abilities. However, existing methods overlook the trade-off between reasoning effectiveness and efficiency, often encouraging unnecessarily long…

Machine Learning · Computer Science 2025-10-16 Jingyao Wang , Wenwen Qiang , Zeen Song , Changwen Zheng , Hui Xiong

Large language models (LLMs) are capable of answering knowledge-intensive complex questions with chain-of-thought (CoT) reasoning. However, they tend to generate factually incorrect reasoning steps when the required knowledge is not…

Computation and Language · Computer Science 2023-11-27 Shulin Cao , Jiajie Zhang , Jiaxin Shi , Xin Lv , Zijun Yao , Qi Tian , Juanzi Li , Lei Hou

Large Language Models (LLMs) have recently achieved remarkable progress by leveraging Reinforcement Learning and extended Chain-of-Thought (CoT) techniques. However, the challenge of performing efficient language reasoning--especially…

Computation and Language · Computer Science 2025-06-17 Zhong-Zhi Li , Xiao Liang , Zihao Tang , Lei Ji , Peijie Wang , Haotian Xu , Xing W , Haizhen Huang , Weiwei Deng , Yeyun Gong , Zhijiang Guo , Xiao Liu , Fei Yin , Cheng-Lin Liu

Large Language Models (LLMs) have been emerging as prominent AI models for solving many natural language tasks due to their high performance (e.g., accuracy) and capabilities in generating high-quality responses to the given inputs.…

Neural and Evolutionary Computing · Computer Science 2026-04-22 Rachmad Vidya Wicaksana Putra , Pasindu Wickramasinghe , Muhammad Shafique

The emergence of large reasoning models (LRMs) has transformed Natural Language Processing by excelling in complex tasks such as mathematical problem-solving and code generation. These models leverage chain-of-thought (CoT) processes,…

Computation and Language · Computer Science 2025-05-19 Wenrui Cai , Chengyu Wang , Junbing Yan , Jun Huang , Xiangzhong Fang

Large language models (LLMs) have shown strong performance across natural language reasoning tasks, yet their reasoning processes remain brittle and difficult to interpret. Prompting techniques like Chain-of-Thought (CoT) enhance…

Computation and Language · Computer Science 2025-08-01 Samir Abdaljalil , Hasan Kurban , Khalid Qaraqe , Erchin Serpedin

Large Language Models (LLMs) gain substantial reasoning and decision-making capabilities from thought structures. However, existing methods such as Tree of Thought and Retrieval Augmented Thoughts often fall short in complex tasks due to…

Computation and Language · Computer Science 2024-12-24 Jinghan Zhang , Xiting Wang , Weijieying Ren , Lu Jiang , Dongjie Wang , Kunpeng Liu

Alzheimer's disease (AD) has become a prevalent neurodegenerative disease worldwide. Traditional diagnosis still relies heavily on medical imaging and clinical assessment by physicians, which is often time-consuming and resource-intensive…

Computation and Language · Computer Science 2026-02-17 Tongze Zhang , Jun-En Ding , Melik Ozolcer , Fang-Ming Hung , Albert Chih-Chieh Yang , Feng Liu , Yi-Rou Ji , Sang Won Bae

Answering questions with Chain-of-Thought (CoT) has significantly enhanced the reasoning capabilities of Large Language Models (LLMs), yet its impact on Large Multimodal Models (LMMs) still lacks a systematic assessment and in-depth…

Computer Vision and Pattern Recognition · Computer Science 2025-02-14 Dongzhi Jiang , Renrui Zhang , Ziyu Guo , Yanwei Li , Yu Qi , Xinyan Chen , Liuhui Wang , Jianhan Jin , Claire Guo , Shen Yan , Bo Zhang , Chaoyou Fu , Peng Gao , Hongsheng Li

Recent studies have shown that making a model spend more time thinking through longer Chain of Thoughts (CoTs) enables it to gain significant improvements in complex reasoning tasks. While current researches continue to explore the benefits…

Computation and Language · Computer Science 2025-10-14 Wenkai Yang , Shuming Ma , Yankai Lin , Furu Wei

Large language models (LLMs) demonstrate impressive capabilities in mathematical reasoning. However, despite these achievements, current evaluations are mostly limited to specific mathematical topics, and it remains unclear whether LLMs are…

Computation and Language · Computer Science 2025-04-01 Arash Gholami Davoodi , Seyed Pouyan Mousavi Davoudi , Pouya Pezeshkpour

Language models are increasingly being deployed for general problem solving across a wide range of tasks, but are still confined to token-level, left-to-right decision-making processes during inference. This means they can fall short in…

Computation and Language · Computer Science 2023-12-05 Shunyu Yao , Dian Yu , Jeffrey Zhao , Izhak Shafran , Thomas L. Griffiths , Yuan Cao , Karthik Narasimhan

Chain-of-Thought (CoT) prompting can enhance the reasoning capabilities of large language models (LLMs), establishing itself as a primary approach to solving complex reasoning tasks. Existing CoT synthesis approaches usually focus on…

Computation and Language · Computer Science 2024-03-22 Xiaoxue Cheng , Junyi Li , Wayne Xin Zhao , Ji-Rong Wen

Large Language Models (LLMs) have shown impressive performance in complex reasoning tasks through the use of Chain-of-Thought (CoT) reasoning, allowing models to break down problems into manageable sub-tasks. However, existing CoT…

Computation and Language · Computer Science 2025-07-11 Jean-Francois Ton , Muhammad Faaiz Taufiq , Yang Liu

Recent studies have discovered that Chain-of-Thought prompting (CoT) can dramatically improve the performance of Large Language Models (LLMs), particularly when dealing with complex tasks involving mathematics or reasoning. Despite the…

Machine Learning · Computer Science 2023-12-27 Guhao Feng , Bohang Zhang , Yuntian Gu , Haotian Ye , Di He , Liwei Wang

Large Language Models (LLMs) leverage chain-of-thought (CoT) prompting to provide step-by-step rationales, improving performance on complex tasks. Despite its benefits, vanilla CoT often fails to fully verify intermediate inferences and can…

Computation and Language · Computer Science 2025-02-05 Manish Sanwal