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Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address…

Large Language Models (LLMs) have made significant progress in reasoning, demonstrating their capability to generate human-like responses. This study analyzes the problem-solving capabilities of LLMs in the domain of thermodynamics. A…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Rebecca Loubet , Pascal Zittlau , Luisa Vollmer , Marco Hoffmann , Sophie Fellenz , Fabian Jirasek , Heike Leitte , Hans Hasse

Large Language Models (LLMs) are rapidly transforming various fields, and their potential in Business Process Management (BPM) is substantial. This paper assesses the capabilities of LLMs on business process modeling using a framework for…

Databases · Computer Science 2024-12-03 Humam Kourani , Alessandro Berti , Daniel Schuster , Wil M. P. van der Aalst

Large language models (LLMs) excel at solving problems with clear and complete statements, but often struggle with nuanced environments or interactive tasks which are common in most real-world scenarios. This highlights the critical need…

We introduce a novel dataset designed to benchmark the physical and spatial reasoning capabilities of Large Language Models (LLM) based on topology optimization, a method for computing optimal material distributions within a design space…

Artificial Intelligence · Computer Science 2026-02-06 Philipp D. Siedler

Multi-step spatial reasoning entails understanding and reasoning about spatial relationships across multiple sequential steps, which is crucial for tackling complex real-world applications, such as robotic manipulation, autonomous…

Artificial Intelligence · Computer Science 2025-06-23 Kexian Tang , Junyao Gao , Yanhong Zeng , Haodong Duan , Yanan Sun , Zhening Xing , Wenran Liu , Kaifeng Lyu , Kai Chen

With the advancements in Large Language Models (LLMs), Vision-Language Models (VLMs) have reached a new level of sophistication, showing notable competence in executing intricate cognition and reasoning tasks. However, existing evaluation…

Computer Vision and Pattern Recognition · Computer Science 2023-11-27 Yuanfeng Ji , Chongjian Ge , Weikai Kong , Enze Xie , Zhengying Liu , Zhengguo Li , Ping Luo

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Large language models (LLMs) have demonstrated remarkable capabilities in solving complex reasoning tasks, particularly in mathematics. However, the domain of physics reasoning presents unique challenges that have received significantly…

Computation and Language · Computer Science 2025-06-04 Xin Xu , Qiyun Xu , Tong Xiao , Tianhao Chen , Yuchen Yan , Jiaxin Zhang , Shizhe Diao , Can Yang , Yang Wang

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

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

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) have fundamentally reshaped Argument Mining (AM), shifting it from a pipeline of supervised, task-specific classifiers to a spectrum of prompt-driven, retrieval-augmented, and reasoning-oriented paradigms. Yet…

Computation and Language · Computer Science 2025-11-26 Hao Li , Viktor Schlegel , Yizheng Sun , Riza Batista-Navarro , Goran Nenadic

The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

Multimodal Large Language Models (MLLMs) have achieved significant advances in integrating visual and linguistic information, yet their ability to reason about complex and real-world scenarios remains limited. The existing benchmarks are…

Large Language Models (LLMs) have demonstrated remarkable abilities in scientific reasoning, yet their reasoning capabilities in materials science remain underexplored. To fill this gap, we introduce MatSciBench, a comprehensive…

Artificial Intelligence · Computer Science 2025-10-15 Junkai Zhang , Jingru Gan , Xiaoxuan Wang , Zian Jia , Changquan Gu , Jianpeng Chen , Yanqiao Zhu , Mingyu Derek Ma , Dawei Zhou , Ling Li , Wei Wang

Reasoning based on Large Language Models (LLMs) has garnered increasing attention due to outstanding performance of these models in mathematical and complex logical tasks. Beginning with the Chain-of-Thought (CoT) prompting technique,…

Artificial Intelligence · Computer Science 2025-11-27 Yuto Suzuki , Farnoush Banaei-Kashani

Recent large language models (LLMs) achieve near-saturation accuracy on many established mathematical reasoning benchmarks, raising concerns about their ability to diagnose genuine reasoning competence. This saturation largely stems from…

Logical reasoning consistently plays a fundamental and significant role in the domains of knowledge engineering and artificial intelligence. Recently, Large Language Models (LLMs) have emerged as a noteworthy innovation in natural language…

Computation and Language · Computer Science 2024-09-17 Fangzhi Xu , Qika Lin , Jiawei Han , Tianzhe Zhao , Jun Liu , Erik Cambria

Human decision-making belongs to the foundation of our society and civilization, but we are on the verge of a future where much of it will be delegated to artificial intelligence. The arrival of Large Language Models (LLMs) has transformed…

Artificial Intelligence · Computer Science 2025-06-23 Hao Li , Gengrui Zhang , Petter Holme , Shuyue Hu , Zhen Wang