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Deep neural networks provide flexible frameworks for learning data representations and functions relating data to other properties and are often claimed to achieve 'super-human' performance in inferring relationships between input data and…

Materials Science · Physics 2021-05-26 Keith T. Butler , Manh Duc Le , Jeyarajan Thiyagalingam , Toby G. Perring

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

We present a data-driven numerical approach for modeling unknown dynamical systems with missing/hidden parameters. The method is based on training a deep neural network (DNN) model for the unknown system using its trajectory data. A key…

Machine Learning · Statistics 2022-02-07 Xiaohan Fu , Weize Mao , Lo-Bin Chang , Dongbin Xiu

In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

Using transformers over large generated datasets, we train models to learn mathematical properties of differential systems, such as local stability, behavior at infinity and controllability. We achieve near perfect prediction of qualitative…

Machine Learning · Computer Science 2021-03-22 François Charton , Amaury Hayat , Guillaume Lample

In high energy physics, characterizing the response of a detector to radiation is one of the most important and basic experimental tasks. In many cases, this task is accomplished by parameterizing summary statistics of the full detector…

Data Analysis, Statistics and Probability · Physics 2020-04-22 Sanha Cheong , Aviv Cukierman , Benjamin Nachman , Murtaza Safdari , Ariel Schwartzman

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Hyperspectral unmixing is an important remote sensing task with applications including material identification and analysis. Characteristic spectral features make many pure materials identifiable from their visible-to-infrared spectra, but…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 John Janiczek , Parth Thaker , Gautam Dasarathy , Christopher S. Edwards , Philip Christensen , Suren Jayasuriya

Deep learning empirically achieves high performance in many applications, but its training dynamics has not been fully understood theoretically. In this paper, we explore theoretical analysis on training two-layer ReLU neural networks in a…

Machine Learning · Statistics 2021-06-30 Shunta Akiyama , Taiji Suzuki

The increasing use of complex machine learning models in education has led to concerns about their interpretability, which in turn has spurred interest in developing explainability techniques that are both faithful to the model's inner…

Machine Learning · Computer Science 2025-05-13 Juan D. Pinto , Luc Paquette

Behavior of neural networks is irremediably determined by the specific loss and data used during training. However it is often desirable to tune the model at inference time based on external factors such as preferences of the user or…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Matteo Maggioni , Thomas Tanay , Francesca Babiloni , Steven McDonagh , Aleš Leonardis

Deep Learning based models are currently dominating most state-of-the-art solutions for disease prediction. Existing works employ RNNs along with multiple levels of attention mechanisms to provide interpretability. These deep learning…

Machine Learning · Statistics 2022-06-01 Subhadip Maji , Raghav Bali , Sree Harsha Ankem , Kishore V Ayyadevara

Physics-Informed Neural Network (PINN) is a deep learning framework that integrates the governing equations underlying data into a loss function. In this study, we consider the problem of estimating state variables and parameters in…

Symbolic Computation · Computer Science 2025-08-07 Mizuka Komatsu

Deformable part models (DPMs) and convolutional neural networks (CNNs) are two widely used tools for visual recognition. They are typically viewed as distinct approaches: DPMs are graphical models (Markov random fields), while CNNs are…

Computer Vision and Pattern Recognition · Computer Science 2014-10-02 Ross Girshick , Forrest Iandola , Trevor Darrell , Jitendra Malik

The paper presents a novel approach, based on deep learning, for diagnosis of Parkinson's disease through medical imaging. The approach includes analysis and use of the knowledge extracted by Deep Convolutional and Recurrent Neural Networks…

Machine Learning · Computer Science 2019-11-26 James Wingate , Ilianna Kollia , Luc Bidaut , Stefanos Kollias

This work proposes a Stochastic Variational Deep Kernel Learning method for the data-driven discovery of low-dimensional dynamical models from high-dimensional noisy data. The framework is composed of an encoder that compresses…

Machine Learning · Computer Science 2023-06-28 Nicolò Botteghi , Mengwu Guo , Christoph Brune

When fine-tuning Deep Neural Networks (DNNs) to new data, DNNs are prone to overwriting network parameters required for task-specific functionality on previously learned tasks, resulting in a loss of performance on those tasks. We propose…

Machine Learning · Computer Science 2025-01-22 Christopher Angelini , Nidhal Bouaynaya

We explore a data-driven approach for learning to optimize neural networks. We construct a dataset of neural network checkpoints and train a generative model on the parameters. In particular, our model is a conditional diffusion transformer…

Machine Learning · Computer Science 2022-09-27 William Peebles , Ilija Radosavovic , Tim Brooks , Alexei A. Efros , Jitendra Malik

Probabilistic deep learning is deep learning that accounts for uncertainty, both model uncertainty and data uncertainty. It is based on the use of probabilistic models and deep neural networks. We distinguish two approaches to probabilistic…

Machine Learning · Computer Science 2021-06-10 Daniel T. Chang

We present a numerical framework for deep neural network (DNN) modeling of unknown time-dependent partial differential equations (PDE) using their trajectory data. Unlike the recent work of [Wu and Xiu, J. Comput. Phys. 2020], where the…

Machine Learning · Computer Science 2021-11-24 Zhen Chen , Victor Churchill , Kailiang Wu , Dongbin Xiu
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