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Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based…

材料科学 · 物理学 2025-12-17 Siyu Liu , Bo Hu , Beilin Ye , Jiamin Xu , David J. Srolovitz , Tongqi Wen

Recovering editable CAD programs from images or 3D observations is central to AI-assisted design, but progress is difficult to measure because existing evaluations are fragmented across datasets, modalities, and metrics. We introduce…

计算机视觉与模式识别 · 计算机科学 2026-05-12 Anna C. Doris , Jacob Thomas Sony , Ghadi Nehme , Era Syla , Amin Heyrani Nobari , Faez Ahmed

Learning multimodal representations involves integrating information from multiple heterogeneous sources of data. It is a challenging yet crucial area with numerous real-world applications in multimedia, affective computing, robotics,…

We consider the task of solving generic inverse problems, where one wishes to determine the hidden parameters of a natural system that will give rise to a particular set of measurements. Recently many new approaches based upon deep learning…

机器学习 · 计算机科学 2021-10-13 Simiao Ren , Willie Padilla , Jordan Malof

The saturation of high-quality pre-training data has shifted research focus toward evolutionary systems capable of continuously generating novel artifacts, leading to the success of AlphaEvolve. However, the progress of such systems is…

人工智能 · 计算机科学 2026-03-17 Zi-Han Wang , Lam Nguyen , Zhengyang Zhao , Mengyue Yang , Chengwei Qin , Yujiu Yang , Linyi Yang

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as…

材料科学 · 物理学 2024-08-15 Yan Chen , Xueru Wang , Xiaobin Deng , Yilun Liu , Xi Chen , Yunwei Zhang , Lei Wang , Hang Xiao

Producing outputs that satisfy both semantic intent and format constraints is essential for deploying large language models in user-facing and system-integrated workflows. In this work, we focus on Markdown formatting, which is ubiquitous…

计算与语言 · 计算机科学 2026-02-09 Yaoting Wang , Yun Zhou , Henghui Ding

Quantitative backtesting is essential for evaluating trading strategies but remains hampered by high technical barriers and limited scalability. While Large Language Models (LLMs) offer a transformative path to automate this complex,…

计算与语言 · 计算机科学 2026-05-26 Zhensheng Wang , Wenmian Yang , Qingtai Wu , Lequan Ma , Yiquan Zhang , Weijia Jia

Pre-trained transformer language models on large unlabeled corpus have produced state-of-the-art results in natural language processing, organic molecule design, and protein sequence generation. However, no such models have been applied to…

Optimization modeling underpins decision-making in logistics, manufacturing, energy, and finance, yet translating natural-language requirements into correct optimization formulations and solver-executable code remains labor-intensive.…

机器学习 · 计算机科学 2026-05-27 Zhong Li , Hongliang Lu , Tao Wei , Yuxuan Chen , Wenyu Liu , Yuan Lan , Fan Zhang , Zaiwen Wen

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

机器学习 · 计算机科学 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

Foundation models have transformed natural language processing and computer vision, and a rapidly growing literature on time-series foundation models (TSFMs) seeks to replicate this success in forecasting. While recent open-source models…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Aiding humans with scientific designs is one of the most exciting of artificial intelligence (AI) and machine learning (ML), due to their potential for the discovery of new drugs, design of new materials and chemical compounds, etc.…

人工智能 · 计算机科学 2023-06-01 Jia-Qi Yang , Yucheng Xu , Jia-Lei Shen , Kebin Fan , De-Chuan Zhan , Yang Yang

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly…

Conventional meta-atom designs rely heavily on researchers' prior knowledge and trial-and-error searches using full-wave simulations, resulting in time-consuming and inefficient processes. Inverse design methods based on optimization…

机器学习 · 计算机科学 2023-12-11 Zezhou Zhang , Chuanchuan Yang , Yifeng Qin , Hao Feng , Jiqiang Feng , Hongbin Li

Recently, large language models (LLMs) have achieved remarkable breakthroughs in general domains such as programming and writing, and have demonstrated strong potential in various scientific research scenarios. However, the capabilities of…

机器学习 · 计算机科学 2025-09-16 Yonghao Weng , Liqiang Gao , Linwu Zhu , Jian Huang

Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings,…

材料科学 · 物理学 2025-09-18 Jonas A. Finkler , Yan Lin , Tao Du , Jilin Hu , Morten M. Smedskjaer