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Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Understanding the relationship between atomic structure (order) and chemical composition (chemistry) is critical for advancing materials science, yet traditional spectroscopic techniques can be slow and damaging to sensitive samples.…

Materials Science · Physics 2025-08-29 Mridul Kumar , Yevgeny Rakita

Deep learning methods for electronic-structure Hamiltonian prediction has offered significant computational efficiency advantages over traditional DFT methods, yet the diversity of atomic types, structural patterns, and the high-dimensional…

Machine Learning · Computer Science 2026-03-03 Shi Yin , Zujian Dai , Xinyang Pan , Lixin He

Deep convolutional neural networks (CNNs) are becoming increasingly popular models to predict neural responses in visual cortex. However, contextual effects, which are prevalent in neural processing and in perception, are not explicitly…

Neurons and Cognition · Quantitative Biology 2018-12-27 Luis Gonzalo Sanchez Giraldo , Odelia Schwartz

The response of adult human bone marrow stromal stem cells to surface topographies generated through femtosecond laser machining can be predicted by a deep neural network. The network is capable of predicting cell response to a…

Image and Video Processing · Electrical Eng. & Systems 2020-09-25 Benita S. Mackay , Matthew Praeger , James A. Grant-Jacob , Janos Kanczler , Robert W. Eason , Richard O. C. Oreffo , Ben Mills

Metamaterials open up a new way to manipulate electromagnetic waves and realize various functional devices. Metamaterials with high-quality (Q) resonance responses are widely employed in sensing, detection, and other applications.…

Optics · Physics 2023-12-22 Shan Yin , Haotian Zhong , Wei Huang , Wentao Zhang , Jiaguang Han

Deep learning architectures such as convolutional neural networks are the standard in computer vision for image processing tasks. Their accuracy however often comes at the cost of long and computationally expensive training, the need for…

Computer Vision and Pattern Recognition · Computer Science 2022-10-31 Mattia Pugliatti , Francesco Topputo

In computer chip manufacturing, the study of etch patterns on silicon wafers, or metrology, occurs on the nano-scale and is therefore subject to large variation from small, yet significant, perturbations in the manufacturing environment. An…

Machine Learning · Computer Science 2019-10-23 Jack Kenney , John Valcore , Scott Riggs , Edward Rietman

The Matrix Element Method (MEM) is a powerful method to extract information from measured events at collider experiments. Compared to multivariate techniques built on large sets of experimental data, the MEM does not rely on an…

High Energy Physics - Experiment · Physics 2021-04-07 Florian Bury , Christophe Delaere

We present a physically-motivated topology of a deep neural network that can efficiently infer extensive parameters (such as energy, entropy, or number of particles) of arbitrarily large systems, doing so with O(N) scaling. We use a form of…

Computational Physics · Physics 2019-04-18 Kyle Mills , Kevin Ryczko , Iryna Luchak , Adam Domurad , Chris Beeler , Isaac Tamblyn

This paper presents a deep learning-based de-homogenization method for structural compliance minimization. By using a convolutional neural network to parameterize the mapping from a set of lamination parameters on a coarse mesh to a…

Machine Learning · Computer Science 2021-11-03 Martin O. Elingaard , Niels Aage , J. Andreas Bærentzen , Ole Sigmund

The adaptability of the convolutional neural network (CNN) technique for aerodynamic meta-modeling tasks is probed in this work. The primary objective is to develop suitable CNN architecture for variable flow conditions and object geometry,…

Machine Learning · Statistics 2018-01-18 Yao Zhang , Woong-Je Sung , Dimitri Mavris

The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…

Machine Learning · Computer Science 2024-10-22 Ho-Joon Lee , Prashant S. Emani , Mark B. Gerstein

Electronic nearsightedness is one of the fundamental principles governing the behavior of condensed matter and supporting its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of…

Computational Physics · Physics 2020-09-01 Andrea Grisafi , Jigyasa Nigam , Michele Ceriotti

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…

Chemical Physics · Physics 2019-06-25 K. T. Schütt , M. Gastegger , A. Tkatchenko , K. -R. Müller , R. J. Maurer

Multiscale modeling is an effective approach for investigating multiphysics systems with largely disparate size features, where models with different resolutions or heterogeneous descriptions are coupled together for predicting the system's…

Computational Engineering, Finance, and Science · Computer Science 2022-12-07 Minglang Yin , Enrui Zhang , Yue Yu , George Em Karniadakis

This proposes a novel ensemble deep learning-based model to accurately classify, detect and localize different defect categories for aggressive pitches and thin resists (High NA applications).In particular, we train RetinaNet models using…

Image and Video Processing · Electrical Eng. & Systems 2022-06-29 Bappaditya Deya , Dipam Goswamif , Sandip Haldera , Kasem Khalilb , Philippe Leraya , Magdy A. Bayoumi

In the domain of battery research, the processing of high-resolution microscopy images is a challenging task, as it involves dealing with complex images and requires a prior understanding of the components involved. The utilization of deep…

Computer Vision and Pattern Recognition · Computer Science 2025-03-19 Ganesh Raghavendran , Bing Han , Fortune Adekogbe , Shuang Bai , Bingyu Lu , William Wu , Minghao Zhang , Ying Shirley Meng

Deep neural networks (NNs) have exhibited considerable potential for efficiently balancing the performance and complexity of multiple-input and multiple-output (MIMO) detectors. We propose a receiver framework that enables efficient online…

Signal Processing · Electrical Eng. & Systems 2020-12-09 Jing Zhang , Yunfeng He , Yu-Wen Li , Chao-Kai Wen , Shi Jin

We propose a metasurface antenna capable of real time holographic beam steering. An array of reconfigurable dipoeles can generate on demand far field patterns of radiation through the specific encoding of meta atomic states. i.e., the…

Computational Physics · Physics 2024-06-24 Hyunjun Ma , Jin-soo Kim , Jong-Ho Choe , Q-Han Park