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Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

In this paper, we aim to improve the reasoning ability of large language models (LLMs) over knowledge graphs (KGs) to answer complex questions. Inspired by existing methods that design the interaction strategy between LLMs and KG, we…

Computation and Language · Computer Science 2024-02-20 Jinhao Jiang , Kun Zhou , Wayne Xin Zhao , Yang Song , Chen Zhu , Hengshu Zhu , Ji-Rong Wen

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various…

Materials Science · Physics 2023-10-20 Markus J. Buehler

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-Augmented generation (RAG) has…

Computation and Language · Computer Science 2025-09-30 Qinggang Zhang , Shengyuan Chen , Yuanchen Bei , Zheng Yuan , Huachi Zhou , Zijin Hong , Hao Chen , Yilin Xiao , Chuang Zhou , Junnan Dong , Yi Chang , Xiao Huang

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

Handling graph data is one of the most difficult tasks. Traditional techniques, such as those based on geometry and matrix factorization, rely on assumptions about the data relations that become inadequate when handling large and complex…

Machine Learning · Computer Science 2024-04-15 Zhenyu Qian , Yiming Qian , Yuting Song , Fei Gao , Hai Jin , Chen Yu , Xia Xie

In the current era of big data, extracting deep insights from massive, heterogeneous, and complexly associated multi-dimensional data has become a significant challenge. Large Language Models (LLMs) perform well in natural language…

Artificial Intelligence · Computer Science 2025-11-21 Xi Wang , Xianyao Ling , Kun Li , Gang Yin , Liang Zhang , Jiang Wu , Jun Xu , Fu Zhang , Wenbo Lei , Annie Wang , Peng Gong

The advent of Large Language Models (LLMs) has revolutionized language understanding and human-like text generation, drawing interest from many other fields with this question in mind: What else are the LLMs capable of? Despite their…

Artificial Intelligence · Computer Science 2024-10-24 Nurullah Sevim , Mostafa Ibrahim , Sabit Ekin

Large Language Models have advanced clinical text classification, but their opaque predictions remain a critical barrier to practical adoption in research and clinical settings where investigators and physicians need to understand which…

Computation and Language · Computer Science 2025-11-18 Karthikeyan K , Raghuveer Thirukovalluru , David Carlson

In the realm of Business Process Management (BPM), process modeling plays a crucial role in translating complex process dynamics into comprehensible visual representations, facilitating the understanding, analysis, improvement, and…

Software Engineering · Computer Science 2024-07-01 Humam Kourani , Alessandro Berti , Daniel Schuster , Wil M. P. van der Aalst

Recommendation systems aim to provide users with relevant suggestions, but often lack interpretability and fail to capture higher-level semantic relationships between user behaviors and profiles. In this paper, we propose a novel approach…

Information Retrieval · Computer Science 2024-01-26 Yan Wang , Zhixuan Chu , Xin Ouyang , Simeng Wang , Hongyan Hao , Yue Shen , Jinjie Gu , Siqiao Xue , James Y Zhang , Qing Cui , Longfei Li , Jun Zhou , Sheng Li

Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large…

Materials Science · Physics 2025-02-26 Yun Hao , Che Fan , Beilin Ye , Wenhao Lu , Zhen Lu , Peilin Zhao , Zhifeng Gao , Qingyao Wu , Yanhui Liu , Tongqi Wen

Conversational Question Answering over Knowledge Graphs (KGs) combines the factual grounding of KG-based QA with the interactive nature of dialogue systems. KGs are widely used in enterprise and domain applications to provide structured,…

Computation and Language · Computer Science 2025-11-27 Reham Omar , Abdelghny Orogat , Ibrahim Abdelaziz , Omij Mangukiya , Panos Kalnis , Essam Mansour

Narrative data spans all disciplines and provides a coherent model of the world to the reader or viewer. Recent advancement in machine learning and Large Language Models (LLMs) have enable great strides in analyzing natural language.…

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

Retrieval-Augmented Generation (RAG) systems combine Large Language Models (LLMs) with external knowledge, and their performance depends heavily on how that knowledge is represented. This study investigates how different Knowledge Graph…

Information Retrieval · Computer Science 2025-11-11 Tiago da Cruz , Bernardo Tavares , Francisco Belo

When we integrate factual knowledge from knowledge graphs (KGs) into large language models (LLMs) to enhance their performance, the cost of injection through training increases with the scale of the models. Consequently, there is…

Computation and Language · Computer Science 2025-01-24 Xinbang Dai , Yuncheng Hua , Tongtong Wu , Yang Sheng , Qiu Ji , Guilin Qi

Large Language Models (LLMs) have introduced a paradigm shift in interaction with AI technology, enabling knowledge workers to complete tasks by specifying their desired outcome in natural language. LLMs have the potential to increase…

Human-Computer Interaction · Computer Science 2025-03-24 Michelle Brachman , Amina El-Ashry , Casey Dugan , Werner Geyer

Large Language Models (LLMs) have demonstrated impressive capabilities in a wide range of code generation tasks. However, generating code for certain domains remains challenging. One such domain is Computer-Aided Design (CAD) program, where…

Machine Learning · Computer Science 2026-03-10 Yan-Ying Chen , Dule Shu , Matthew Hong , Andrew Taber , Jonathan Li , Matthew Klenk

Autoregressive large language models (LLMs) pre-trained by next token prediction are inherently proficient in generative tasks. However, their performance on knowledge-driven tasks such as factual knowledge querying remains unsatisfactory.…

Computation and Language · Computer Science 2026-01-14 Peng Yu , Cheng Deng , Beiya Dai , Xinbing Wang , Ying Wen