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Reaction feasibility prediction, as a fundamental problem in computational chemistry, has benefited from diverse tools enabled by recent advances in artificial intelligence, particularly large language models. However, the performance of…

Artificial Intelligence · Computer Science 2026-05-11 Ye Liu , Botao Yu , Xinyi Ling , Daniel Adu-Ampratwum , Xia Ning

We propose a novel approach to multi-robot collaboration that harnesses the power of pre-trained large language models (LLMs) for both high-level communication and low-level path planning. Robots are equipped with LLMs to discuss and…

Robotics · Computer Science 2023-07-11 Zhao Mandi , Shreeya Jain , Shuran Song

Large Reasoning Models (LRMs) have expanded the mathematical reasoning frontier through Chain-of-Thought (CoT) techniques and Reinforcement Learning with Verifiable Rewards (RLVR), capable of solving AIME-level problems. However, the…

Multimodal large language models (MLLMs) have shown great potential in perception and interpretation tasks, but their capabilities in predictive reasoning remain under-explored. To address this gap, we introduce a novel benchmark that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-23 Mingwei Zhu , Leigang Sha , Yu Shu , Kangjia Zhao , Tiancheng Zhao , Jianwei Yin

Vision-language agents have achieved remarkable progress in a variety of multimodal reasoning tasks; however, their learning remains constrained by the limitations of human-annotated supervision. Recent self-rewarding approaches attempt to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Jiaqi Liu , Kaiwen Xiong , Peng Xia , Yiyang Zhou , Haonian Ji , Lu Feng , Siwei Han , Mingyu Ding , Huaxiu Yao

Topological materials occupy a frontier in condensed-matter physics thanks to their remarkable electronic and quantum properties, yet their cross-scale design remains bottlenecked by inefficient discovery workflows. Here, we introduce…

Materials Science · Physics 2025-07-08 Baohua Zhang , Xin Li , Huangchao Xu , Zhong Jin , Quansheng Wu , Ce Li

In Multi-Agent Systems (MAS), agents are designed with social capabilities, allowing them to understand and reason about social concepts such as norms when interacting with others (e.g., inter-robot interactions). In Normative MAS (NorMAS),…

Multiagent Systems · Computer Science 2026-03-05 Oishik Chowdhury , Anushka Debnath , Bastin Tony Roy Savarimuthu

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap…

Computation and Language · Computer Science 2025-08-25 Weiwei Sun , Shengyu Feng , Shanda Li , Yiming Yang

This paper introduces a novel approach to create a high-resolution "map" for physics learning: an "atomic" learning objectives (LOs) system designed to capture detailed cognitive processes and concepts required for problem solving in a…

Computers and Society · Computer Science 2025-02-25 Naiming Liu , Shashank Sonkar , Debshila Basu Mallick , Richard Baraniuk , Zhongzhou Chen

Recent advances in large language models (LLMs) have led to remarkable progress across domains, yet their capabilities in the humanities, particularly history, remain underexplored. Historical reasoning poses unique challenges for AI,…

Multimodal Large Language Models (MLLMs) have made notable advances in visual understanding, yet their abilities to recognize objects modified by specific attributes remain an open question. To address this, we explore MLLMs' reasoning…

Computer Vision and Pattern Recognition · Computer Science 2024-11-28 Jiaxuan Li , Junwen Mo , MinhDuc Vo , Akihiro Sugimoto , Hideki Nakayama

Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, and property estimation. While tool-augmented LLMs have been…

Computational Engineering, Finance, and Science · Computer Science 2025-02-21 Zhucong Li , Jin Xiao , Bowei Zhang , Zhijian Zhou , Qianyu He , Fenglei Cao , Jiaqing Liang , Yuan Qi

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Multi-agent systems (MAS) have emerged as a promising approach for enhancing the reasoning capabilities of large language models in complex problem-solving; however, current MAS frameworks suffer from poor flexibility and scalability with…

Multiagent Systems · Computer Science 2025-06-02 Heng Zhou , Hejia Geng , Xiangyuan Xue , Li Kang , Yiran Qin , Zhiyong Wang , Zhenfei Yin , Lei Bai

IQ testing has served as a foundational methodology for evaluating human cognitive capabilities, deliberately decoupling assessment from linguistic background, language proficiency, or domain-specific knowledge to isolate core competencies…

Artificial Intelligence · Computer Science 2025-06-05 Huanqia Cai , Yijun Yang , Winston Hu

As multimodal large language models (MLLMs) grow increasingly capable, fixed benchmarks are gradually losing their effectiveness in evaluating high-level scientific understanding. In this paper, we introduce the Multimodal Academic Cover…

Computation and Language · Computer Science 2025-08-25 Mohan Jiang , Jin Gao , Jiahao Zhan , Dequan Wang

The transition from symbolic manipulation to science-grade reasoning represents a pivotal frontier for Large Language Models (LLMs), with physics serving as the critical test anchor for binding abstract logic to physical reality. Physics…

This paper reviews the MARS2 2025 Challenge on Multimodal Reasoning. We aim to bring together different approaches in multimodal machine learning and LLMs via a large benchmark. We hope it better allows researchers to follow the…

Computer Vision and Pattern Recognition · Computer Science 2025-09-18 Peng Xu , Shengwu Xiong , Jiajun Zhang , Yaxiong Chen , Bowen Zhou , Chen Change Loy , David A. Clifton , Kyoung Mu Lee , Luc Van Gool , Ruiming He , Ruilin Yao , Xinwei Long , Jirui Huang , Kai Tian , Sa Yang , Yihua Shao , Jin Feng , Yue Zhong , Jiakai Zhou , Cheng Tang , Tianyu Zou , Yifang Zhang , Junming Liang , Guoyou Li , Zhaoxiang Wang , Qiang Zhou , Yichen Zhao , Shili Xiong , Hyeongjin Nam , Jaerin Lee , Jaeyoung Chung , JoonKyu Park , Junghun Oh , Kanggeon Lee , Wooseok Lee , Juneyoung Ro , Turghun Osman , Can Hu , Chaoyang Liao , Cheng Chen , Chengcheng Han , Chenhao Qiu , Chong Peng , Cong Xu , Dailin Li , Feiyu Wang , Feng Gao , Guibo Zhu , Guopeng Tang , Haibo Lu , Han Fang , Han Qi , Hanxiao Wu , Haobo Cheng , Hongbo Sun , Hongyao Chen , Huayong Hu , Hui Li , Jiaheng Ma , Jiang Yu , Jianing Wang , Jie Yang , Jing He , Jinglin Zhou , Jingxuan Li , Josef Kittler , Lihao Zheng , Linnan Zhao , Mengxi Jia , Muyang Yan , Nguyen Thanh Thien , Pu Luo , Qi Li , Shien Song , Shijie Dong , Shuai Shao , Shutao Li , Taofeng Xue , Tianyang Xu , Tianyi Gao , Tingting Li , Wei Zhang , Weiyang Su , Xiaodong Dong , Xiao-Jun Wu , Xiaopeng Zhou , Xin Chen , Xin Wei , Xinyi You , Xudong Kang , Xujie Zhou , Xusheng Liu , Yanan Wang , Yanbin Huang , Yang Liu , Yang Yang , Yanglin Deng , Yashu Kang , Ye Yuan , Yi Wen , Yicen Tian , Yilin Tao , Yin Tang , Yipeng Lin , Yiqing Wang , Yiting Xi , Yongkang Yu , Yumei Li , Yuxin Qin , Yuying Chen , Yuzhe Cen , Zhaofan Zou , Zhaohong Liu , Zhehao Shen , Zhenglin Du , Zhengyang Li , Zhenni Huang , Zhenwei Shao , Zhilong Song , Zhiyong Feng , Zhiyu Wang , Zhou Yu , Ziang Li , Zihan Zhai , Zijian Zhang , Ziyang Peng , Ziyun Xiao , Zongshu Li

Understanding the physical world is a fundamental challenge in embodied AI, critical for enabling agents to perform complex tasks and operate safely in real-world environments. While Vision-Language Models (VLMs) have shown great promise in…

Computer Vision and Pattern Recognition · Computer Science 2025-01-30 Wei Chow , Jiageng Mao , Boyi Li , Daniel Seita , Vitor Guizilini , Yue Wang

As general-purpose tools, Large Language Models (LLMs) must often reason about everyday physical environments. In a question-and-answer capacity, understanding the interactions of physical objects may be necessary to give appropriate…

Artificial Intelligence · Computer Science 2025-01-06 Matteo G. Mecattaf , Ben Slater , Marko Tešić , Jonathan Prunty , Konstantinos Voudouris , Lucy G. Cheke