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The design of intelligent materials often draws parallels with the complex adaptive behaviors of biological organisms, where robust functionality stems from sophisticated hierarchical organization and emergent long-distance coordination…

Soft Condensed Matter · Physics 2025-11-13 Vladimir A. Baulin , Rudolf M. Füchslin , Achille Giacometti , Helmut Hauser , Marco Werner

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

Multi-agent collaborative driving promises improvements in traffic safety and efficiency through collective perception and decision making. However, existing communication media -- including raw sensor data, neural network features, and…

Multiagent Systems · Computer Science 2025-07-03 Xiangbo Gao , Keshu Wu , Hao Zhang , Kexin Tian , Yang Zhou , Zhengzhong Tu

The multitude of makeup products available can make it challenging to find the ideal match for desired attributes. An intelligent approach for product discovery is required to enhance the makeup shopping experience to make it more…

Computer Vision and Pattern Recognition · Computer Science 2023-12-04 Fatemeh Taheri Dezaki , Himanshu Arora , Rahul Suresh , Amin Banitalebi-Dehkordi

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler

Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…

Materials Science · Physics 2022-09-29 Cefe López

The discovery of novel superconducting materials is a longstanding challenge in materials science, with a wealth of potential for applications in energy, transportation, and computing. Recent advances in artificial intelligence (AI) have…

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

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…

Machine Learning · Computer Science 2025-09-16 Yonghao Weng , Liqiang Gao , Linwu Zhu , Jian Huang

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures…

Machine Learning · Computer Science 2025-07-25 Nate Gruver , Anuroop Sriram , Andrea Madotto , Andrew Gordon Wilson , C. Lawrence Zitnick , Zachary Ulissi

Recent progress in large vision-language models has driven improvements in language-based semantic navigation, where an embodied agent must reach a target object described in natural language. Yet we still lack a clear, language-focused…

High-precision CNC machining of free-form aerospace components requires bounded compensations informed by inspection, simulation, and process knowledge. Off-the-shelf large language model (LLM) assistants can generate text, but they do not…

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support…

Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…

Computational Engineering, Finance, and Science · Computer Science 2023-01-04 Razyeh Behbahani , Hamidreza Yazdani Sarvestani , Erfan Fatehi , Elham Kiyani , Behnam Ashrafi , Mikko Karttunen , Meysam Rahmat

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge baked into their…

Materials Science · Physics 2025-08-06 Alireza Ghafarollahi , Markus J. Buehler

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Machine learning interatomic potentials have revolutionized complex materials design by enabling rapid exploration of material configurational spaces via crystal structure prediction with ab initio accuracy. However, critical challenges…

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive…

Machine Learning · Computer Science 2023-02-02 Astrid Klipfel , Olivier Peltre , Najwa Harrati , Yaël Fregier , Adlane Sayede , Zied Bouraoui

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors.…

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