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We analyze the regression accuracy of convolutional neural networks assembled from encoders, decoders and skip connections and trained with multifidelity data. Besides requiring significantly less trainable parameters than equivalent fully…

Machine Learning · Computer Science 2022-10-26 Lauren Partin , Gianluca Geraci , Ahmad Rushdi , Michael S. Eldred , Daniele E. Schiavazzi

A flexible discriminative image denoiser is introduced in which multi-task learning methods are applied to a densoising FCN based on U-Net. The activations of the U-Net model are modified by affine transforms that are a learned function of…

Image and Video Processing · Electrical Eng. & Systems 2020-11-26 Anthony Kelly

We develop new transfer learning algorithms to accelerate prediction of material properties from ab initio simulations based on density functional theory (DFT). Transfer learning has been successfully utilized for data-efficient modeling in…

Computational Physics · Physics 2020-07-01 Schuyler Krawczuk , Daniele Venturi

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers

Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…

Computational Physics · Physics 2023-09-13 Tim Bechtel , Daniel T. Speckhard , Jonathan Godwin , Claudia Draxl

Prediction of the electronic structure of functional materials is essential for the engineering of new devices. Conventional electronic structure prediction methods based on density functional theory (DFT) suffer from not only high…

Materials Science · Physics 2023-01-10 Junfei Zhang , Yueqi Li , Xinbo Zhou

In this paper, we propose two contributions to neural network based denoising. First, we propose applying separate convolutional layers to each sub-band of discrete wavelet transform (DWT) as opposed to the common usage of DWT which…

Machine Learning · Computer Science 2021-02-17 Caglar Aytekin , Sakari Alenius , Dmytro Paliy , Juuso Gren

The performance of machine learning models is determined by the quality of their learned features. They should be invariant under irrelevant data variation but sensitive to task-relevant details. To visualize whether this is the case, we…

Machine Learning · Computer Science 2026-03-24 Armand Rousselot , Joran Wendebourg , Ullrich Köthe

We propose a novel deep learning model for classifying medical images in the setting where there is a large amount of unlabelled medical data available, but labelled data is in limited supply. We consider the specific case of classifying…

Computer Vision and Pattern Recognition · Computer Science 2018-01-03 Antonia Creswell , Alison Pouplin , Anil A Bharath

This paper presents a novel learning-based clothing deformation method to generate rich and reasonable detailed deformations for garments worn by bodies of various shapes in various animations. In contrast to existing learning-based…

Computer Vision and Pattern Recognition · Computer Science 2023-08-08 Tianxing Li , Rui Shi , Takashi Kanai

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…

Computational Physics · Physics 2021-01-07 Rhys E. A. Goodall , Alpha A. Lee

Advances in machine learning and the increasing availability of high-dimensional data have led to the proliferation of social science research that uses the predictions of machine learning models as proxies for measures of human activity or…

Machine Learning · Computer Science 2025-02-19 Luke C Sanford , Megan Ayers , Matthew Gordon , Eliana Stone

Deep Neural Networks are well known for efficiently fitting training data, yet experiencing poor generalization capabilities whenever some kind of bias dominates over the actual task labels, resulting in models learning "shortcuts". In…

Machine Learning · Computer Science 2024-08-12 Pietro Morerio , Ruggero Ragonesi , Vittorio Murino

Compared with traditional seismic noise attenuation algorithms that depend on signal models and their corresponding prior assumptions, removing noise with a deep neural network is trained based on a large training set, where the inputs are…

Geophysics · Physics 2019-07-23 Siwei Yu , Jianwei Ma , Wenlong Wang

The interdependence and high dimensionality of multivariate signals present significant challenges for denoising, as conventional univariate methods often struggle to capture the complex interactions between variables. A successful approach…

Machine Learning · Computer Science 2024-07-29 Jaesung Choi , Pilwon Kim

We propose a novel regularization algorithm to train deep neural networks, in which data at training time is severely biased. Since a neural network efficiently learns data distribution, a network is likely to learn the bias information to…

Computer Vision and Pattern Recognition · Computer Science 2019-04-16 Byungju Kim , Hyunwoo Kim , Kyungsu Kim , Sungjin Kim , Junmo Kim

In this paper, we study a simple and generic framework to tackle the problem of learning model parameters when a fraction of the training samples are corrupted. We first make a simple observation: in a variety of such settings, the…

Machine Learning · Computer Science 2019-02-20 Yanyao Shen , Sujay Sanghavi

Many recent works utilize denoising score matching to optimize the conditional input of diffusion models. In this workshop paper, we demonstrate that such optimization breaks the equivalence between denoising score matching and exact score…

Machine Learning · Computer Science 2025-11-18 Tongda Xu

Interacting defect systems are ubiquitous in materials under realistic scenarios, yet gaining an atomic-level understanding of these systems from a computational perspective is challenging - it often demands substantial resources due to the…

Materials Science · Physics 2024-03-21 Hao Yu