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Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions,…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , Beilin Ye , Zhuoyuan Li , David J. Srolovitz

Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…

Machine Learning · Computer Science 2025-10-27 Jiyu Cui , Fang Wu , Haokai Zhao , Minggao Feng , Xenophon Evangelopoulos , Andrew I. Cooper , Yejin Choi

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation…

Machine Learning · Computer Science 2024-10-08 Gang Liu , Michael Sun , Wojciech Matusik , Meng Jiang , Jie Chen

We present Liquid, an auto-regressive generation paradigm that seamlessly integrates visual comprehension and generation by tokenizing images into discrete codes and learning these code embeddings alongside text tokens within a shared…

Computer Vision and Pattern Recognition · Computer Science 2025-04-14 Junfeng Wu , Yi Jiang , Chuofan Ma , Yuliang Liu , Hengshuang Zhao , Zehuan Yuan , Song Bai , Xiang Bai

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Unified models (UMs) hold promise for their ability to understand and generate content across heterogeneous modalities. Compared to merely generating visual content, the use of UMs for interleaved cross-modal reasoning is more promising and…

Computer Vision and Pattern Recognition · Computer Science 2026-04-03 Jiachun Jin , Zetong Zhou , Xiao Yang , Hao Zhang , Pengfei Liu , Jun Zhu , Zhijie Deng

The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE)…

Machine Learning · Computer Science 2025-07-25 Phu Thien Nguyen , Yousef Heider , Dennis M. Kochmann , Fadi Aldakheel

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be…

Creating Computer-Aided Design (CAD) models requires significant expertise and effort. Text-to-CAD, which converts textual descriptions into CAD parametric sequences, is crucial in streamlining this process. Recent studies have utilized…

Computer Vision and Pattern Recognition · Computer Science 2025-06-06 Ruiyu Wang , Yu Yuan , Shizhao Sun , Jiang Bian

This paper presents the development of an AI-powered workflow that uses Large Language Models (LLMs) to assist in drafting schematic architectural floor plans from natural language prompts. The proposed system interprets textual input to…

Artificial Intelligence · Computer Science 2025-09-03 Jayakrishna Duggempudi , Lu Gao , Ahmed Senouci , Zhe Han , Yunpeng Zhang

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

In quantitative investing, return prediction supports various tasks, including stock selection, portfolio optimization, and risk management. Quantitative factors, such as valuation, quality, and growth, capture various characteristics of…

Computational Finance · Quantitative Finance 2025-11-26 Tian Guo , Emmanuel Hauptmann

Quantum machine learning (QML) has attracted growing interest with the rapid parallel advances in large-scale classical machine learning and quantum technologies. Similar to classical machine learning, QML models also face challenges…

Graph-based design languages in UML (Unified Modeling Language) are presented as a method to encode and automate the complete design process and the final optimization of the product or complex system. A design language consists of a…

Software Engineering · Computer Science 2018-05-24 Samuel Vogel , Stephan Rudolph

The rapid development of AI and LLMs has driven new methods of SDLC, in which a large portion of code, technical, and business documentation is generated automatically. However, since there is no single architectural framework that can…

Software Engineering · Computer Science 2026-04-02 Oleg Grynets , Vasyl Lyashkevych

Contrastive vision-language models, such as CLIP, have demonstrated excellent zero-shot capability across semantic recognition tasks, mainly attributed to the training on a large-scale I&1T (one Image with one Text) dataset. This kind of…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Zhichao Yang , Leida Li , Pengfei Chen , Jinjian Wu , Giuseppe Valenzise

The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials--truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

We propose a method to fuse frozen text-only large language models (LLMs) with pre-trained image encoder and decoder models, by mapping between their embedding spaces. Our model demonstrates a wide suite of multimodal capabilities: image…

Computation and Language · Computer Science 2023-10-16 Jing Yu Koh , Daniel Fried , Ruslan Salakhutdinov

Generative recommendation has emerged as a promising paradigm aiming at directly generating the identifiers of the target candidates. Most existing methods attempt to leverage prior knowledge embedded in Pre-trained Language Models (PLMs)…

Information Retrieval · Computer Science 2025-04-09 Jianyang Zhai , Zi-Feng Mai , Chang-Dong Wang , Feidiao Yang , Xiawu Zheng , Hui Li , Yonghong Tian