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Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large…

Artificial Intelligence · Computer Science 2026-05-05 Ruiling Xu , Yifan Zhang , Qingyun Wang , Carl Edwards , Heng Ji

Large Reasoning Models (LRMs) have achieved remarkable performance on complex tasks by engaging in extended reasoning before producing final answers, yet this strength introduces the risk of overthinking, where excessive token generation…

Computation and Language · Computer Science 2025-06-25 Shu Yang , Junchao Wu , Xuansheng Wu , Derek Wong , Ninhao Liu , Di Wang

Large Language Models (LLMs) are rapidly evolving and impacting various fields, necessitating the development of effective methods to evaluate and compare their performance. Most current approaches for performance evaluation are either…

Computation and Language · Computer Science 2025-02-11 Behrad Moniri , Hamed Hassani , Edgar Dobriban

Training large language models (LLMs) with synthetic reasoning data has become a popular approach to enhancing their reasoning capabilities, while a key factor influencing the effectiveness of this paradigm is the quality of the generated…

Artificial Intelligence · Computer Science 2026-03-24 Zhuojie Yang , Wentao Wan , Keze Wang

Grasping the concept of time is a fundamental facet of human cognition, indispensable for truly comprehending the intricacies of the world. Previous studies typically focus on specific aspects of time, lacking a comprehensive temporal…

Computation and Language · Computer Science 2024-07-01 Zheng Chu , Jingchang Chen , Qianglong Chen , Weijiang Yu , Haotian Wang , Ming Liu , Bing Qin

The rapid advancements in large language models (LLMs), particularly in their reasoning capabilities, hold transformative potential for addressing complex challenges and boosting scientific discovery in atmospheric science. However,…

Machine Learning · Computer Science 2025-10-07 Chenyue Li , Wen Deng , Mengqian Lu , Binhang Yuan

Reasoning is an essential capacity for large language models (LLMs) to address complex tasks, where the identification of process errors is vital for improving this ability. Recently, process-level reward models (PRMs) were proposed to…

Artificial Intelligence · Computer Science 2025-03-18 Zhaopan Xu , Pengfei Zhou , Jiaxin Ai , Wangbo Zhao , Kai Wang , Xiaojiang Peng , Wenqi Shao , Hongxun Yao , Kaipeng Zhang

Multimodal reasoning, which integrates language and visual cues into problem solving and decision making, is a fundamental aspect of human intelligence and a crucial step toward artificial general intelligence. However, the evaluation of…

Recent advances in large language models (LLMs) have shown that they can answer questions requiring complex reasoning. However, their ability to identify and respond to text containing logical fallacies or deliberately misleading premises…

Computation and Language · Computer Science 2025-02-19 Zenan Zhai , Hao Li , Xudong Han , Zhenxuan Zhang , Yixuan Zhang , Timothy Baldwin , Haonan Li

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) have emerged as a powerful tool in advancing the Text-to-SQL task, significantly outperforming traditional methods.Nevertheless, as a nascent research field, there is still no consensus on the optimal prompt…

Computation and Language · Computer Science 2026-03-20 Bin Zhang , Yuxiao Ye , Guoqing Du , Xiaoru Hu , Zhishuai Li , Chi Harold Liu , Zhiwei Xu , Guoliang Fan , Rui Zhao , Ziyue Li , Hangyu Mao

Recent advancements in Large Language Models (LLMs) have showcased striking results on existing logical reasoning benchmarks, with some models even surpassing human performance. However, the true depth of their competencies and robustness…

Computation and Language · Computer Science 2024-11-05 Pengfei Hong , Navonil Majumder , Deepanway Ghosal , Somak Aditya , Rada Mihalcea , Soujanya Poria

Large language models (LLMs) demonstrate outstanding capabilities, but challenges remain regarding their ability to solve complex reasoning tasks, as well as their transparency, robustness, truthfulness, and ethical alignment. In this…

Computers and Society · Computer Science 2023-12-19 Konstantin Hebenstreit , Robert Praas , Matthias Samwald

Evaluating language models fairly is increasingly difficult as static benchmarks risk contamination by training data, obscuring whether models truly reason or recall. We introduce BeyondBench, an evaluation framework using algorithmic…

Computation and Language · Computer Science 2026-03-06 Gaurav Srivastava , Aafiya Hussain , Zhenyu Bi , Swastik Roy , Priya Pitre , Meng Lu , Morteza Ziyadi , Xuan Wang

Long-term memory (LTM) is essential for large language models (LLMs) to achieve autonomous intelligence in complex, evolving environments. Despite increasing efforts in memory-augmented and retrieval-based architectures, there remains a…

Computation and Language · Computer Science 2025-06-17 Luanbo Wan , Weizhi Ma

Large Language Models (LLMs) hold promise in automating data analysis tasks, yet open-source models face significant limitations in these kinds of reasoning-intensive scenarios. In this work, we investigate strategies to enhance the data…

Computation and Language · Computer Science 2025-11-14 Yuqi Zhu , Yi Zhong , Jintian Zhang , Ziheng Zhang , Shuofei Qiao , Yujie Luo , Lun Du , Da Zheng , Ningyu Zhang , Huajun Chen

Argumentation skills are an essential toolkit for large language models (LLMs). These skills are crucial in various use cases, including self-reflection, debating collaboratively for diverse answers, and countering hate speech. In this…

Computation and Language · Computer Science 2026-04-21 Yamen Ajjour , Carlotta Quensel , Nedim Lipka , Henning Wachsmuth

Large Language Models (LLMs) show promise as data analysis agents, but existing benchmarks overlook the iterative nature of the field, where experts' decisions evolve with deeper insights of the dataset. To address this, we introduce…

Computation and Language · Computer Science 2025-06-09 Hanyu Li , Haoyu Liu , Tingyu Zhu , Tianyu Guo , Zeyu Zheng , Xiaotie Deng , Michael I. Jordan

Large-scale Language Models (LLMs) have revolutionized human-AI interaction and achieved significant success in the generation of novel ideas. However, current assessments of idea generation overlook crucial factors such as knowledge…

Artificial Intelligence · Computer Science 2025-05-27 Yansheng Qiu , Haoquan Zhang , Zhaopan Xu , Ming Li , Diping Song , Zheng Wang , Kaipeng Zhang

Out-of-distribution (OOD) generalization has emerged as a significant challenge in graph recommender systems. Traditional graph neural network algorithms often fail because they learn spurious environmental correlations instead of stable…

Information Retrieval · Computer Science 2025-11-25 Jiahao Liang , Haoran Yang , Xiangyu Zhao , Zhiwen Yu , Mianjie Li , Chuan Shi , Kaixiang Yang