English
Related papers

Related papers: Intelligent Materials Modelling: Large Language Mo…

200 papers

Copper nanoparticles (Cu NPs) have a broad applicability, yet their synthesis is sensitive to subtle changes in reaction parameters. This sensitivity, combined with the time- and resource-intensive nature of experimental optimization, poses…

Recent advancements in large language models (LLMs) have shown promise in feature engineering for tabular data, but concerns about their reliability persist, especially due to variability in generated outputs. We introduce a multi-level…

Machine Learning · Computer Science 2025-10-01 Yebin Lim , Susik Yoon

Large Language Models (LLMs) have the potential to revolutionize scientific research, yet their robustness and reliability in domain-specific applications remain insufficiently explored. In this study, we evaluate the performance and…

Computation and Language · Computer Science 2025-08-15 Hongchen Wang , Kangming Li , Scott Ramsay , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

Low-resource languages (LRLs) face significant challenges in natural language processing (NLP) due to limited data. While current state-of-the-art large language models (LLMs) still struggle with LRLs, smaller multilingual models (mLMs)…

Computation and Language · Computer Science 2025-02-17 Daniil Gurgurov , Ivan Vykopal , Josef van Genabith , Simon Ostermann

Large language models (LLMs) are increasingly used to convert natural language descriptions into mathematical optimization formulations. Current evaluations often treat formulations as a whole, relying on coarse metrics like solution…

Machine Learning · Computer Science 2025-10-21 Dania Refai , Moataz Ahmed

Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models…

Machine Learning · Computer Science 2026-01-15 Mianzhi Pan , JianFei Li , Peishuo Liu , Botian Wang , Yawen Ouyang , Yiming Rong , Hao Zhou , Jianbing Zhang

Large Language Models (LLMs) demonstrate exceptional reasoning abilities, enabling strong generalization across diverse tasks such as commonsense reasoning and instruction following. However, as LLMs scale, inference costs become…

Computation and Language · Computer Science 2025-02-06 Rhea Sanjay Sukthanker , Benedikt Staffler , Frank Hutter , Aaron Klein

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language…

Software Engineering · Computer Science 2025-04-15 Haoran Liang , Mohammad Talebi Kalaleh , Qipei Mei

Solid-state electrolytes (SSEs) are attractive for next-generation lithium-ion batteries due to improved safety and stability but their low room-temperature ionic conductivity hinders practical application. Experimental synthesis and…

Materials Science · Physics 2026-03-31 Haewon Kim , Taekgi Lee , Seongeun Hong , Kyeong-Ho Kim , Yongchul G. Chung

Five simple soft sensor methodologies with two update conditions were compared on two experimentally-obtained datasets and one simulated dataset. The soft sensors investigated were moving window partial least squares regression (and a…

Machine Learning · Statistics 2019-08-13 Casey Kneale , Steven D. Brown

Large language models (LLMs) achieve remarkable performance through ever-increasing parameter counts, but scaling incurs steep computational costs. To better understand LLM scaling, we study representational differences between LLMs and…

The widespread adoption of large language models (LLMs) makes it important to recognize their strengths and limitations. We argue that in order to develop a holistic understanding of these systems we need to consider the problem that they…

Computation and Language · Computer Science 2023-09-26 R. Thomas McCoy , Shunyu Yao , Dan Friedman , Matthew Hardy , Thomas L. Griffiths

Previous learning-based vulnerability detection methods relied on either medium-sized pre-trained models or smaller neural networks from scratch. Recent advancements in Large Pre-Trained Language Models (LLMs) have showcased remarkable…

Software Engineering · Computer Science 2024-01-30 Xin Zhou , Ting Zhang , David Lo

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

This paper proposes FAS-LLM, a novel large language model (LLM)-based architecture for predicting future channel states in Orthogonal Time Frequency Space (OTFS)-enabled satellite downlinks equipped with fluid antenna systems (FAS). The…

Signal Processing · Electrical Eng. & Systems 2025-05-16 Halvin Yang , Sangarapillai Lambotharan , Mahsa Derakhshani

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Computation and Language · Computer Science 2026-01-22 Baturay Saglam , Paul Kassianik , Blaine Nelson , Sajana Weerawardhena , Yaron Singer , Amin Karbasi

With massive high-dimensional data now commonplace in research and industry, there is a strong and growing demand for more scalable computational techniques for data analysis and knowledge discovery. Key to turning these data into knowledge…

Data Structures and Algorithms · Computer Science 2016-06-17 Yasuo Tabei , Hiroto Saigo , Yoshihiro Yamanishi , Simon J. Puglisi

[Context and motivation] Large language models (LLMs) show notable results in natural language processing (NLP) tasks for requirements engineering (RE). However, their use is compromised by high computational cost, data sharing risks, and…

Software Engineering · Computer Science 2025-10-27 Mohammad Amin Zadenoori , Vincenzo De Martino , Jacek Dabrowski , Xavier Franch , Alessio Ferrari

Large language models (LLMs) hold great promise for specialized scientific domains such as materials science, yet adapting them efficiently and accurately to domain-specific knowledge remains challenging due to limited data and high…

Computation and Language · Computer Science 2025-03-31 Chuan-Wei Kuo , Siyu Chen , Chenqi Yan , Yu Yang Fredrik Liu

Machine learning in materials science faces challenges due to limited experimental data, as generating synthesis data is costly and time-consuming, especially with in-house experiments. Mining data from existing literature introduces issues…

Computational Physics · Physics 2025-03-11 Devi Dutta Biswajeet , Sara Kadkhodaei