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The efficacy of mathematical models heavily depends on the quality of the training data, yet collecting sufficient data is often expensive and challenging. Many modeling applications require inferring parameters only as a means to predict…

Discovering materials with desirable properties in an efficient way remains a significant problem in materials science. Many studies have tackled this problem by using different sets of information available about the materials. Among them,…

Materials Science · Physics 2025-03-04 Onur Boyar , Indra Priyadarsini , Seiji Takeda , Lisa Hamada

A distributed machine learning platform needs to recruit many heterogeneous worker nodes to finish computation simultaneously. As a result, the overall performance may be degraded due to straggling workers. By introducing redundancy into…

Computer Science and Game Theory · Computer Science 2020-12-17 Ningning Ding , Zhixuan Fang , Lingjie Duan , Jianwei Huang

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

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

Multimodal representation learning poses significant challenges in capturing informative and distinct features from multiple modalities. Existing methods often struggle to exploit the unique characteristics of each modality due to unified…

Computer Vision and Pattern Recognition · Computer Science 2023-11-08 Cam-Van Thi Nguyen , Ngoc-Hoa Thi Nguyen , Duc-Trong Le , Quang-Thuy Ha

The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision…

Computational Engineering, Finance, and Science · Computer Science 2025-09-09 Aditya Kashi , Hao Lu , Wesley Brewer , David Rogers , Michael Matheson , Mallikarjun Shankar , Feiyi Wang

The goal to decarbonize the energy sector has led to increased research in modeling and optimizing multi-energy systems. One of the most promising techniques for modeling (multi-)energy optimization problems is mixed-integer programming…

Optimization and Control · Mathematics 2025-05-21 Stephanie Riedmüller , Annika Buchholz , Janina Zittel

Poor data quality limits the advantageous power of Machine Learning (ML) and weakens high-performing ML software systems. Nowadays, data are more prone to the risk of poor quality due to their increasing volume and complexity. Therefore,…

Machine Learning · Computer Science 2025-02-20 Manal Rahal , Bestoun S. Ahmed , Gergely Szabados , Torgny Fornstedt , Jorgen Samuelsson

Climate change and resource depletion demand a shift from the dominant linear "take-make-use-dispose" paradigm of construction toward circular, low-waste practices. Material reuse offers a promising pathway by reducing raw material…

Robotics · Computer Science 2026-04-28 Arash Adel , Daniel Ruan , Ruxin Xie

Exotic behaviour of mechanical metamaterials often relies on an internal transformation of the underlying microstructure triggered by its local instabilities, rearrangements, and rotations. Depending on the presence and magnitude of such a…

Soft Condensed Matter · Physics 2020-04-16 Ondřej Rokoš , Jan Zeman , Martin Doškář , Petr Krysl

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

In this thesis, a computational framework for microstructural modelling of transverse behaviour of heterogeneous materials is presented. The context of this research is part of the broad and active field of Computational Micromechanics,…

Computational Engineering, Finance, and Science · Computer Science 2021-10-05 Marco Lo Cascio

In this paper, a new data-driven multiscale material modeling method, which we refer to as deep material network, is developed based on mechanistic homogenization theory of representative volume element (RVE) and advanced machine learning…

Computational Engineering, Finance, and Science · Computer Science 2019-01-04 Zeliang Liu , C. T. Wu , M. Koishi

Noise has always been nonnegligible trouble in object detection by creating confusion in model reasoning, thereby reducing the informativeness of the data. It can lead to inaccurate recognition due to the shift in the observed pattern, that…

Computer Vision and Pattern Recognition · Computer Science 2023-04-25 Xinyu Zhang , Zhiwei Li , Zhenhong Zou , Xin Gao , Yijin Xiong , Dafeng Jin , Jun Li , Huaping Liu

Fusing data from multiple modalities provides more information to train machine learning systems. However, it is prohibitively expensive and time-consuming to label each modality with a large amount of data, which leads to a crucial problem…

Computer Vision and Pattern Recognition · Computer Science 2020-07-15 Xinwei Sun , Yilun Xu , Peng Cao , Yuqing Kong , Lingjing Hu , Shanghang Zhang , Yizhou Wang

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Materials Science · Physics 2022-03-22 Sanket Kadulkar , Zachary M. Sherman , Venkat Ganesan , Thomas M. Truskett

With the rapid advancement of intelligent technologies, collaborative frameworks integrating large and small models have emerged as a promising approach for enhancing industrial maintenance. However, several challenges persist, including…

Systems and Control · Electrical Eng. & Systems 2025-06-09 Xiaoyi Yuan , Qiming Huang , Mingqing Guo , Huiming Ma , Ming Xu , Zeyi Liu , Xiao He

Combining complementary information from multiple modalities is intuitively appealing for improving the performance of learning-based approaches. However, it is challenging to fully leverage different modalities due to practical challenges…

Machine Learning · Statistics 2018-05-31 Kuan Liu , Yanen Li , Ning Xu , Prem Natarajan

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson