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Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich…

Machine Learning · Computer Science 2026-05-12 Dario Vajda

Interior design involves the careful selection and arrangement of objects to create an aesthetically pleasing, functional, and harmonized space that aligns with the client's design brief. This task is particularly challenging, as a…

Graphics · Computer Science 2025-09-03 Gabrielle Littlefair , Niladri Shekhar Dutt , Niloy J. Mitra

We consider controllable DNA sequence design, where sequences are generated by conditioning on specific biological properties. While language models (LMs) such as GPT and BERT have achieved remarkable success in natural language generation,…

Machine Learning · Computer Science 2025-12-10 Xingyu Su , Xiner Li , Yuchao Lin , Ziqian Xie , Degui Zhi , Shuiwang Ji

Machine learning potentials (MLPs) for atomistic simulations have an enormous prospective impact on materials modeling, offering orders of magnitude speedup over density functional theory (DFT) calculations without appreciably sacrificing…

Materials Science · Physics 2022-01-20 Dylan Bayerl , Christopher M. Andolina , Shyam Dwaraknath , Wissam A. Saidi

In recent years, natural language processing (NLP) models have demonstrated remarkable capabilities in various domains beyond traditional text generation. In this work, we introduce PeptideGPT, a protein language model tailored to generate…

Machine Learning · Computer Science 2024-10-28 Aayush Shah , Chakradhar Guntuboina , Amir Barati Farimani

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

Recent advancements in generative artificial intelligence (AI) have demonstrated its substantial potential in various fields. However, its application in port logistics remains underexplored. Ports are complex operational environments where…

Computational Engineering, Finance, and Science · Computer Science 2026-02-25 Minseop Kim , Jaeeun Kwon , Hanbyeol Park , Kikun Park , Taekhyun Park , Hyerim Bae

We demonstrate the ability of large language models (LLMs) to perform material and molecular property regression tasks, a significant deviation from the conventional LLM use case. We benchmark the Large Language Model Meta AI (LLaMA) 3 on…

Materials Science · Physics 2026-04-22 Ryan Jacobs , Maciej P. Polak , Lane E. Schultz , Hamed Mahdavi , Vasant Honavar , Dane Morgan

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

Materials Science · Physics 2023-12-12 Rachel K. Luu , Markus J. Buehler

The rapid advances in Large Language Models (LLMs) have the potential to transform manufacturing industry, offering new opportunities to optimize processes, improve efficiency, and drive innovation. This paper provides a comprehensive…

Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions pose significant challenges for accurately modeling arbitrary…

Large language models (LLMs) and multimodal models have become powerful general-purpose reasoning systems. However, radio-frequency (RF) signals, which underpin wireless systems, are still not natively supported by these models. Existing…

Signal Processing · Electrical Eng. & Systems 2026-02-17 Hang Zou , Yu Tian , Bohao Wang , Lina Bariah , Samson Lasaulce , Chongwen Huang , Mérouane Debbah

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

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

The disruptive technology provided by large-scale pre-trained language models (LLMs) such as ChatGPT or GPT-4 has received significant attention in several application domains, often with an emphasis on high-level opportunities and…

Human-Computer Interaction · Computer Science 2023-06-27 Philippe J. Giabbanelli

In the rapidly evolving landscape of genomics, deep learning has emerged as a useful tool for tackling complex computational challenges. This review focuses on the transformative role of Large Language Models (LLMs), which are mostly based…

Machine learning promises to accelerate the material discovery by enabling high-throughput prediction of desirable macro-properties from atomic-level descriptors or structures. However, the limited data available about precise values of…

Machine Learning · Computer Science 2024-11-28 L. Klochko , M. d'Aquin , A. Togo , L. Chaput

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

In industry, the reliability of rotating machinery is critical for production efficiency and safety. Current methods of Prognostics and Health Management (PHM) often rely on task-specific models, which face significant challenges in…

Machine Learning · Computer Science 2025-06-13 Yilin Wang , Yifei Yu , Kong Sun , Peixuan Lei , Yuxuan Zhang , Enrico Zio , Aiguo Xia , Yuanxiang Li