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Most of the existing multi-modal models, hindered by their incapacity to adeptly manage interleaved image-and-text inputs in multi-image, multi-round dialogues, face substantial constraints in resource allocation for training and data…

Computer Vision and Pattern Recognition · Computer Science 2023-11-30 Zhewei Yao , Xiaoxia Wu , Conglong Li , Minjia Zhang , Heyang Qin , Olatunji Ruwase , Ammar Ahmad Awan , Samyam Rajbhandari , Yuxiong He

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Despite continuous advancements in deep learning for understanding human motion, existing models often struggle to accurately identify action timing and specific body parts, typically supporting only single-round interaction. Such…

Computer Vision and Pattern Recognition · Computer Science 2024-10-16 Jiawei Mo , Yixuan Chen , Rifen Lin , Yongkang Ni , Min Zeng , Xiping Hu , Min Li

Large language models (LLMs) have demonstrated impressive capabilities in mathematical problem solving, particularly in single turn question answering formats. However, real world scenarios often involve mathematical question answering that…

Artificial Intelligence · Computer Science 2024-05-31 Zhenwen Liang , Dian Yu , Wenhao Yu , Wenlin Yao , Zhihan Zhang , Xiangliang Zhang , Dong Yu

We present MaterialFigBench, a benchmark dataset designed to evaluate the ability of multimodal large language models (LLMs) to solve university-level materials science problems that require accurate interpretation of figures. Unlike…

Computation and Language · Computer Science 2026-03-13 Michiko Yoshitake , Yuta Suzuki , Ryo Igarashi , Yoshitaka Ushiku , Keisuke Nagato

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Programming robot behavior in a complex world faces challenges on multiple levels, from dextrous low-level skills to high-level planning and reasoning. Recent pre-trained Large Language Models (LLMs) have shown remarkable reasoning ability…

Robotics · Computer Science 2023-10-12 Xufeng Zhao , Mengdi Li , Cornelius Weber , Muhammad Burhan Hafez , Stefan Wermter

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Climate change is a major socio-scientific issue shapes public decision-making and policy discussions. As large language models (LLMs) increasingly serve as an interface for accessing climate knowledge, whether existing benchmarks reflect…

Computation and Language · Computer Science 2026-03-30 Oucheng Liu , Lexing Xie , Jing Jiang

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

Computational Physics · Physics 2025-01-09 Christophe Bajan , Guillaume Lambard

Large language models (LLMs) have emerged as powerful machine-learning systems capable of handling a myriad of tasks. Tuned versions of these systems have been turned into chatbots that can respond to user queries on a vast diversity of…

Computation and Language · Computer Science 2024-08-16 Kevin G. Yager

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

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

As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and application-driven nature. However, existing materials…

Artificial Intelligence · Computer Science 2026-05-29 Wanhao Liu , Jiaqing Xie , Qian Tan , Weida Wang , Jue Wang , Ran Sun , Zhuo Yang , Wanli Ouyang , Lei Bai , Tianfan Fu , Lu Chen , Xin Chen , Yuqiang Li

The development of modern civil industry, energy and information technology is inseparable from the rapid explorations of new materials, which are hampered by months to years of painstaking attempts, resulting in only a small fraction of…

Chemical Physics · Physics 2023-03-22 Zhilong Wang , Junfei Cai , An Chen , Yanqiang Han , Kehao Tao , Simin Ye , Shiwei Wang , Imran Ali , Jinjin Li

Cutting-edge Artificial Intelligence (AI) techniques keep reshaping our view of the world. For example, Large Language Models (LLMs) based applications such as ChatGPT have shown the capability of generating human-like conversation on…

Large Language Models (LLMs) are increasingly utilized for large-scale extraction and organization of unstructured data owing to their exceptional Natural Language Processing (NLP) capabilities. Empowering materials design, vast amounts of…

Digital Libraries · Computer Science 2025-12-11 Wenkai Ning , Musen Li , Jeffrey R. Reimers , Rika Kobayashi

Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify and consolidate chemical knowledge, the case for models with…