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Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Evaluation of language model outputs on structured writing tasks is typically conducted with a number of desirable criteria presented to human evaluators or large language models (LLMs). For instance, on a prompt like "Help me draft an…

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Our research explores the development and application of musical agents, human-in-the-loop generative AI systems designed to support music performance and improvisation within co-creative spaces. We introduce MACAT and MACataRT, two…

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Design inspiration is crucial for establishing the direction of a design as well as evoking feelings and conveying meanings during the conceptual design process. Many practice designers use text-based searches on platforms like Pinterest to…

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The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…

Materials Science · Physics 2025-04-09 Shuyi Jia , Panchapakesan Ganesh , Victor Fung

Generative AI, specifically text-to-image models, have revolutionized interior architectural design by enabling the rapid translation of conceptual ideas into visual representations from simple text prompts. While generative AI can produce…

Human-Computer Interaction · Computer Science 2025-06-19 Richa Gupta , Alexander Htet Kyaw

Large language models (LLMs) are becoming increasingly applied beyond natural language processing, demonstrating strong capabilities in complex scientific tasks that traditionally require human expertise. This progress has extended into…

Materials Science · Physics 2026-02-26 Dong Hyeon Mok , Seoin Back , Victor Fung , Guoxiang Hu

Memory-Augmented Generation (MAG) extends Large Language Models with external memory to support long-context reasoning, but existing approaches largely rely on semantic similarity over monolithic memory stores, entangling temporal, causal,…

Artificial Intelligence · Computer Science 2026-04-17 Dongming Jiang , Yi Li , Guanpeng Li , Bingzhe Li

Molecular self-organization driven by concerted many-body interactions produces the ordered structures that define both inanimate and living matter. Understanding the physical mechanisms that govern the formation of molecular complexes and…

Chemical Physics · Physics 2023-07-21 Hendrik Jung , Roberto Covino , A Arjun , Peter G. Bolhuis , Gerhard Hummer

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a…

Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired physicochemical properties. Herein, we describe IDOLpro, a…

Chemical Physics · Physics 2025-04-29 Amit Kadan , Kevin Ryczko , Erika Lloyd , Adrian Roitberg , Takeshi Yamazaki

Generative design marks a significant data-driven advancement in the exploration of novel inorganic materials, which entails learning the symmetry equivalent to the crystal structure prediction (CSP) task and subsequent learning of their…

Materials Science · Physics 2024-03-22 Ruiming Zhu , Wei Nong , Shuya Yamazaki , Kedar Hippalgaonkar

We introduce DriveAgent, a novel multi-agent autonomous driving framework that leverages large language model (LLM) reasoning combined with multimodal sensor fusion to enhance situational understanding and decision-making. DriveAgent…

Robotics · Computer Science 2025-05-06 Xinmeng Hou , Wuqi Wang , Long Yang , Hao Lin , Jinglun Feng , Haigen Min , Xiangmo Zhao

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

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Despite the rapid evolution and increasing efficacy of language and vision generative models, there remains a lack of comprehensive datasets that bridge the gap between personalized fashion needs and AI-driven design, limiting the potential…

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Procedural material graphs are a compact, parameteric, and resolution-independent representation that are a popular choice for material authoring. However, designing procedural materials requires significant expertise and publicly…

Graphics · Computer Science 2022-08-16 Paul Guerrero , Miloš Hašan , Kalyan Sunkavalli , Radomír Měch , Tamy Boubekeur , Niloy J. Mitra

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Creating end-to-end bioinformatics workflows requires diverse domain expertise, which poses challenges for both junior and senior researchers as it demands a deep understanding of both genomics concepts and computational techniques. While…

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Artificial Intelligence (AI) is redefining the frontiers of scientific domains, ranging from drug discovery to meteorological modeling, yet its integration within industrial manufacturing remains nascent and fraught with operational…

Computational Engineering, Finance, and Science · Computer Science 2025-11-18 Yingjie Shi , Yiru Gong , Yiqun Su , Suya Xiong , Jiale Han , Runtian Miao
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