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Artificial intelligence is transforming scientific computing with deep neural network surrogates that approximate solutions to partial differential equations (PDEs). Traditional off-line training methods face issues with storage and I/O…

Machine Learning · Computer Science 2024-10-10 Sofya Dymchenko , Abhishek Purandare , Bruno Raffin

Deep neural networks have proven to be quite effective in a wide variety of machine learning tasks, ranging from improved speech recognition systems to advancing the development of autonomous vehicles. However, despite their superior…

Machine Learning · Computer Science 2016-12-14 Qinglong Wang , Wenbo Guo , Alexander G. Ororbia , Xinyu Xing , Lin Lin , C. Lee Giles , Xue Liu , Peng Liu , Gang Xiong

Recent years have seen a surge in deep learning approaches to accelerate numerical solvers, which provide faithful but computationally intensive simulations of the physical world. These deep surrogates are generally trained in a supervised…

Machine Learning · Computer Science 2023-10-02 Lucas Meyer , Marc Schouler , Robert Alexander Caulk , Alejandro Ribés , Bruno Raffin

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs…

Machine Learning · Computer Science 2024-08-14 Samuel Müller , Noah Hollmann , Sebastian Pineda Arango , Josif Grabocka , Frank Hutter

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

The pioneer deep neural networks (DNNs) have emerged to be deeper or wider for improving their accuracy in various applications of artificial intelligence. However, DNNs are often too heavy to deploy in practice, and it is often required to…

Machine Learning · Computer Science 2018-07-10 Hankook Lee , Jinwoo Shin

Compressive imaging aims to recover a latent image from under-sampled measurements, suffering from a serious ill-posed inverse problem. Recently, deep neural networks have been applied to this problem with superior results, owing to the…

Image and Video Processing · Electrical Eng. & Systems 2021-10-26 Yixiao Yang , Ran Tao , Kaixuan Wei , Ying Fu

Spiking neural networks (SNNs) offer a promising energy-efficient alternative to artificial neural networks (ANNs), in virtue of their high biological plausibility, rich spatial-temporal dynamics, and event-driven computation. The direct…

Neural and Evolutionary Computing · Computer Science 2024-07-12 Chenlin Zhou , Han Zhang , Liutao Yu , Yumin Ye , Zhaokun Zhou , Liwei Huang , Zhengyu Ma , Xiaopeng Fan , Huihui Zhou , Yonghong Tian

Neural Operators offer a powerful, data-driven tool for solving parametric PDEs as they can represent maps between infinite-dimensional function spaces. In this work, we employ physics-informed Neural Operators in the context of…

Machine Learning · Statistics 2023-03-08 Sebastian Kaltenbach , Paris Perdikaris , Phaedon-Stelios Koutsourelakis

Deep neural networks (DNNs) have proven to be quite effective in a vast array of machine learning tasks, with recent examples in cyber security and autonomous vehicles. Despite the superior performance of DNNs in these applications, it has…

Machine Learning · Computer Science 2017-08-22 Qinglong Wang , Wenbo Guo , Kaixuan Zhang , Alexander G. Ororbia , Xinyu Xing , Xue Liu , C. Lee Giles

As data collection and simulation capabilities advance, multi-modal learning, the task of learning from multiple modalities and sources of data, is becoming an increasingly important area of research. Surrogate models that learn from data…

Machine Learning · Statistics 2026-05-13 Ian Taylor , Juliane Mueller , Julie Bessac

In this work, we focus on variational Bayesian inference on the sparse Deep Neural Network (DNN) modeled under a class of spike-and-slab priors. Given a pre-specified sparse DNN structure, the corresponding variational posterior contraction…

Statistics Theory · Mathematics 2020-08-04 Jincheng Bai , Qifan Song , Guang Cheng

Surrogate models - also called emulators - are widely used to facilitate Bayesian inference in settings where computational costs preclude the use of standard posterior inference algorithms. Their deployment is now standard practice across…

Methodology · Statistics 2026-03-17 Andrew Gerard Roberts , Michael C. Dietze , Jonathan H. Huggins

This work introduces a neural operator based surrogate modeling framework for neutron transport computation. Two architectures, the Deep Operator Network (DeepONet) and the Fourier Neural Operator (FNO), were trained for fixed source…

Computational Physics · Physics 2026-02-19 Md Hossain Sahadath , Qiyun Cheng , Shaowu Pan , Wei Ji

Complex design problems are common in the scientific and industrial fields. In practice, objective functions or constraints of these problems often do not have explicit formulas, and can be estimated only at a set of sampling points through…

Optimization and Control · Mathematics 2022-10-12 Lulu Zhang , Zhi-Qin John Xu , Yaoyu Zhang

Reliable multiscale models of thrombosis require platelet-scale fidelity at organ-scale cost, a gap that scientific machine learning has the potential to narrow. We train a DeepONet surrogate on platelet dynamics generated with LAMMPS for…

Fluid Dynamics · Physics 2025-06-26 Marco Laudato

Bayesian approaches for learning deep neural networks (BNN) have been received much attention and successfully applied to various applications. Particularly, BNNs have the merit of having better generalization ability as well as better…

Machine Learning · Statistics 2023-05-25 Insung Kong , Dongyoon Yang , Jongjin Lee , Ilsang Ohn , Gyuseung Baek , Yongdai Kim

In Bayesian inverse problems sampling the posterior distribution is often a challenging task when the underlying models are computationally intensive. To this end, surrogates or reduced models are often used to accelerate the computation.…

Numerical Analysis · Mathematics 2019-09-04 Qifeng Liao , Jinglai Li

Modern approaches for simulation-based inference rely upon deep learning surrogates to enable approximate inference with computer simulators. In practice, the estimated posteriors' computational faithfulness is, however, rarely guaranteed.…

Machine Learning · Statistics 2022-08-30 Arnaud Delaunoy , Joeri Hermans , François Rozet , Antoine Wehenkel , Gilles Louppe

Many real-world applications demand accurate and fast predictions, as well as reliable uncertainty estimates. However, quantifying uncertainty on high-dimensional predictions is still a severely under-investigated problem, especially when…

Computational Engineering, Finance, and Science · Computer Science 2025-02-04 Saurabh Deshpande , Hussein Rappel , Mark Hobbs , Stéphane P. A. Bordas , Jakub Lengiewicz