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Forming a hetero-interface is a materials-design strategy that can access an astronomically large phase space. However, the immense phase space necessitates a high-throughput approach for optimal interface design. Here we introduce a…

The advent of complex, interconnected long-horizon LLM systems has made it incredibly tricky to identify where and when these systems break down. Evaluation capabilities that currently exist today are limited in that they often focus on…

Artificial Intelligence · Computer Science 2026-02-02 Chenyang Zhu , Spencer Hong , Jingyu Wu , Kushal Chawla , Charlotte Tang , Youbing Yin , Nathan Wolfe , Erin Babinsky , Daben Liu

Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…

Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies in the exorbitantly large structural and compositional space…

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

A phase-field approach is proposed for interface failure between two possibly dissimilar materials. The discrete adhesive interface is regularised over a finite width. Due to the use of a regularised crack model for the bulk material, an…

Materials Science · Physics 2019-09-06 Arne Claus Hansen-Dörr , René de Borst , Paul Hennig , Markus Kästner

Certain forms of uncertainty that robotic systems encounter can be explicitly learned within the context of a known model, like parametric model uncertainties such as mass and moments of inertia. Quantifying such parametric uncertainty is…

Robotics · Computer Science 2022-03-04 Keenan Albee , Monica Ekal , Brian Coltin , Rodrigo Ventura , Richard Linares , David W. Miller

Developing robotic manipulation policies is iterative and hypothesis-driven: researchers test tactile sensing, gripper geometries, and sensor placements through real-world data collection and training. Yet even minor end-effector changes…

Robotics · Computer Science 2026-02-09 Zi Yin , Fanhong Li , Shurui Zheng , Jia Liu

Global optimization of crystal compositions is a significant yet computationally intensive method to identify stable structures within chemical space. The specific physical properties linked to a three-dimensional atomic arrangement make…

This paper presents CRADLE, a conversational framework for design space exploration of RTL designs using LLM-based multi-agent systems. Unlike existing rigid approaches, CRADLE enables user-guided flows with internal self-verification,…

Robotics · Computer Science 2025-08-13 Lukas Krupp , Maximilian Schöffel , Elias Biehl , Norbert Wehn

Differentiable simulators enable gradient-based optimization of soft robots over material parameters, control, and morphology, but accurately modeling real systems remains challenging due to the sim-to-real gap. This issue becomes more…

Robotics · Computer Science 2026-03-24 Dong Heon Cho , Boyuan Chen

In this work a general framework is proposed to support the development of software systems that are able to adapt their behaviour according to the operating environment changes. The proposed approach, named REPTILE, works in a complete…

Software Engineering · Computer Science 2022-03-29 Flavio Corradini , Miichele Loreti , Marco Piangerelli , Giacomo Rocchetti

High-Throughput materials discovery involves the rapid synthesis, measurement, and characterization of many different but structurally-related materials. A key problem in materials discovery, the phase map identification problem, involves…

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…

Surgical automation can improve the accessibility and consistency of life saving procedures. Most surgeries require separating layers of tissue to access the surgical site, and suturing to reattach incisions. These tasks involve deformable…

Robotics · Computer Science 2024-05-17 Nikhil Uday Shinde , Xiao Liang , Fei Liu , Yutong Zhang , Florian Richter , Sylvia Herbert , Michael C. Yip

Active learning (AL) has emerged as a powerful paradigm for accelerating materials discovery by iteratively steering experiments toward promising candidates, reducing the number of costly synthesis-and-characterization cycles needed to…

Materials Science · Physics 2026-03-25 Jeffrey Hu , Rongzhi Dong , Ying Feng , Ming Hu , Jianjun Hu

Traditional materials discovery approaches - relying primarily on laborious experiments - have controlled the pace of technology. Instead, computational approaches offer an accelerated path: high-throughput exploration and characterization…

Materials Science · Physics 2018-11-23 Corey Oses

Prognostic Health Management (PHM) systems monitor and predict equipment health. A key task is Remaining Useful Life (RUL) estimation, which predicts how long a component, such as a rolling element bearing, will operate before failure. Many…

Machine Learning · Computer Science 2025-10-22 Waleed Razzaq , Yun-Bo Zhao

The integration of dynamic, sparse structures like Mixture-of-Experts (MoE) with parameter-efficient adapters (e.g., LoRA) is a powerful technique for enhancing Large Language Models (LLMs). However, this architectural enhancement comes at…

Artificial Intelligence · Computer Science 2026-03-13 Qiyang Li , Rui Kong , Yuchen Li , Hengyi Cai , Shuaiqiang Wang , Linghe Kong , Guihai Chen , Dawei Yin

Efficient materials discovery requires reducing costly first-principles calculations for training machine-learned interatomic potentials (MLIPs). We develop an active learning (AL) framework that iteratively selects informative structures…

Machine Learning · Computer Science 2026-01-22 Mohammed Azeez Khan , Aaron D'Souza , Vijay Choyal
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