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Large Language Models (LLMs) demonstrate enhanced capabilities and reliability by reasoning more, evolving from Chain-of-Thought prompting to product-level solutions like OpenAI o1. Despite various efforts to improve LLM reasoning,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-05 Yuhao Dong , Zuyan Liu , Hai-Long Sun , Jingkang Yang , Winston Hu , Yongming Rao , Ziwei Liu

Chain-of-Thought (CoT) reasoning has emerged as a powerful tool for enhancing the problem-solving capabilities of large language models (LLMs). However, the theoretical foundations of learning from CoT data remain underdeveloped, and…

Artificial Intelligence · Computer Science 2025-07-29 Shai Shalev-Shwartz , Amnon Shashua

Large Language Models (LLMs) have shown remarkable ability in solving complex tasks, making them a promising tool for enhancing tabular learning. However, existing LLM-based methods suffer from high resource requirements, suboptimal…

Machine Learning · Computer Science 2025-05-12 Ruxue Shi , Hengrui Gu , Xu Shen , Xin Wang

Drug discovery is a complex and resource-intensive process, making early prediction of approval outcomes critical for optimizing research investments. While classical machine learning and deep learning methods have shown promise in drug…

While large language models (LLMs) excel in mathematical and code reasoning, we observe they struggle with social reasoning tasks, exhibiting cognitive confusion, logical inconsistencies, and conflation between objective world states and…

Computation and Language · Computer Science 2025-10-14 Jialu Du , Guiyang Hou , Yihui Fu , Chen Wu , Wenqi Zhang , Yongliang Shen , Weiming Lu

Large Language Models (LLMs) still suffer from severe hallucinations and catastrophic forgetting during causal reasoning over massive, fragmented long contexts. Existing memory mechanisms typically treat retrieval as a static, single-step…

Multiagent Systems · Computer Science 2026-05-19 Haodong Lei , Junming Liu , Yirong Chen , Ding Wang , Hongsong Wang

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite…

Computation and Language · Computer Science 2026-04-21 Yibo Yan , Shen Wang , Jiahao Huo , Jingheng Ye , Zhendong Chu , Xuming Hu , Philip S. Yu , Carla Gomes , Bart Selman , Qingsong Wen

Inference-time scaling has attracted much attention which significantly enhance the performance of Large Language Models (LLMs) in complex reasoning tasks by increasing the length of Chain-of-Thought. These longer intermediate reasoning…

Computation and Language · Computer Science 2025-05-21 Hongru Wang , Deng Cai , Wanjun Zhong , Shijue Huang , Jeff Z. Pan , Zeming Liu , Kam-Fai Wong

While Large Language Models (LLMs) excel in certain reasoning tasks, they struggle in multi-agent games where the final outcome depends on the joint strategies of all agents. In multi-agent games, the non-stationarity of other agents brings…

Artificial Intelligence · Computer Science 2026-05-26 Yidong He , Yutao Lai , Pengxu Yang , Jiarui Gan , Jiexin Wang , Yi Cai , Mengchen Zhao

Multimodal Large Language Models (MLLMs) are set to transform how machines process and generate human-like responses by integrating diverse modalities such as text, images, and code. Yet, effectively harnessing their capabilities hinges on…

Artificial Intelligence · Computer Science 2025-04-15 Anwesha Mohanty , Venkatesh Balavadhani Parthasarathy , Arsalan Shahid

Multimodal Large Language Models (MLLMs) excel in vision-language tasks, such as image captioning and visual question answering. However, they often suffer from over-reliance on spurious correlations, primarily due to linguistic priors that…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Yixuan Wu , Yang Zhang , Jian Wu , Philip Torr , Jindong Gu

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge…

Quantitative Methods · Quantitative Biology 2024-06-11 Junfeng Fang , Shuai Zhang , Chang Wu , Zhengyi Yang , Zhiyuan Liu , Sihang Li , Kun Wang , Wenjie Du , Xiang Wang

Chain-of-Thought (CoT) prompting has shown promise in enhancing the reasoning capabilities of large language models (LLMs) by generating natural language (NL) rationales that lead to the final answer. However, it struggles with numerical…

Artificial Intelligence · Computer Science 2025-02-13 Cheryl Li , Tianyuan Xu , Yiwen Guo

The performance of Large language models (LLMs) across a broad range of domains has been impressive but have been critiqued as not being able to reason about their process and conclusions derived. This is to explain the conclusions draw,…

Computation and Language · Computer Science 2024-10-30 Rob Sullivan , Nelly Elsayed

Recent advancements in reasoning-reinforced Large Language Models (LLMs) have shown remarkable capabilities in complex reasoning tasks. However, the mechanism underlying their utilization of different human reasoning skills remains poorly…

Computation and Language · Computer Science 2025-08-15 Nghia Trung Ngo , Franck Dernoncourt , Thien Huu Nguyen

Multimodal document retrieval systems enable information access across text, images, and layouts, benefiting various domains like document-based question answering, report analysis, and interactive content summarization. Rerankers improve…

Artificial Intelligence · Computer Science 2025-06-24 Mingjun Xu , Jinhan Dong , Jue Hou , Zehui Wang , Sihang Li , Zhifeng Gao , Renxin Zhong , Hengxing Cai

Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

Computation and Language · Computer Science 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

Large Language Models (LLMs) often fail on complex reasoning tasks due to flawed question comprehension, not just flawed logic. This paper presents a systematic investigation into these comprehension failures. Our work yields three key…

Computation and Language · Computer Science 2025-09-19 Feijiang Han , Hengtao Cui , Licheng Guo , Zelong Wang , Zhiyuan Lyu

Large language models (LLMs) are highly capable but face latency challenges in real-time applications, such as conducting online hallucination detection. To overcome this issue, we propose a novel framework that leverages a small language…

Computation and Language · Computer Science 2024-08-26 Mengya Hu , Rui Xu , Deren Lei , Yaxi Li , Mingyu Wang , Emily Ching , Eslam Kamal , Alex Deng

Recent advances in multimodal large language models (MLLMs) mark a shift from non-thinking models to post-trained reasoning models capable of solving complex problems through thinking. However, whether such thinking mitigates hallucinations…

Computation and Language · Computer Science 2026-02-02 Zhidian Huang , Zijun Yao , Ji Qi , Shangqing Tu , Junxian Ma , Jinxin Liu , Weichuan Liu , Xiaoyin Che , Lei Hou , Juanzi Li