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Normalizing flows are a powerful technique for obtaining reparameterizable samples from complex multimodal distributions. Unfortunately, current approaches are only available for the most basic geometries and fall short when the underlying…

Machine Learning · Statistics 2021-05-03 Luca Falorsi

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of…

Machine Learning · Computer Science 2024-06-04 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Yijiang Li , Sucheng Ren , Weipeng Deng , Yuzhi Xu , Ying Gao , Edith Ngai , Haohan Wang

Functional verification relies on large simulation-based regressions. Traditional test selection relies on static test features and overlooks actual coverage behavior, wasting substantial simulation time, while constrained random stimuli…

Methodology · Statistics 2025-12-02 Weijie Peng , Nanbing Li , Jin Luo , Shuai Wang , Yihui Li , Jun Fang , Yun , Liang

Seismic wave propagation forms the basis for most aspects of seismological research, yet solving the wave equation is a major computational burden that inhibits the progress of research. This is exacerbated by the fact that new simulations…

Physical reasoning is a remarkable human ability that enables rapid learning and generalization from limited experience. Current AI models, despite extensive training, still struggle to achieve similar generalization, especially in…

Machine Learning · Computer Science 2026-02-11 Shiqian Li , Ruihong Shen , Yaoyu Tao , Chi Zhang , Yixin Zhu

Neural networks are often utilised in critical domain applications (e.g. self-driving cars, financial markets, and aerospace engineering), even though they exhibit overconfident predictions for ambiguous inputs. This deficiency demonstrates…

Machine Learning · Computer Science 2023-01-03 John Mitros , Brian Mac Namee

Research around Spiking Neural Networks has ignited during the last years due to their advantages when compared to traditional neural networks, including their efficient processing and inherent ability to model complex temporal dynamics.…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Aitor Martinez Seras , Javier Del Ser , Jesus L. Lobo , Pablo Garcia-Bringas , Nikola Kasabov

Nonlinear PDE solvers require fine space-time discretizations and local linearizations, leading to high memory cost and slow runtimes. Neural operators such as FNOs and DeepONets offer fast single-shot inference by learning…

Machine Learning · Computer Science 2025-10-23 Yifei Sun

Neural operators (NOs) are a class of deep learning models designed to simultaneously solve infinitely many related problems by casting them into an infinite-dimensional space, whereon these NOs operate. A significant gap remains between…

Machine Learning · Computer Science 2025-08-22 Anastasis Kratsios , Ariel Neufeld , Philipp Schmocker

We present an end-to-end framework to learn partial differential equations that brings together initial data production, selection of boundary conditions, and the use of physics-informed neural operators to solve partial differential…

Computational Physics · Physics 2023-08-21 Shawn G. Rosofsky , Hani Al Majed , E. A. Huerta

Detecting out-of-distribution (OOD) data is a critical challenge in machine learning due to model overconfidence, often without awareness of their epistemological limits. We hypothesize that ``neural collapse'', a phenomenon affecting…

Machine Learning · Statistics 2024-02-28 Mouïn Ben Ammar , Nacim Belkhir , Sebastian Popescu , Antoine Manzanera , Gianni Franchi

We contribute NeuralSolver, a novel recurrent solver that can efficiently and consistently extrapolate, i.e., learn algorithms from smaller problems (in terms of observation size) and execute those algorithms in large problems. Contrary to…

Machine Learning · Computer Science 2024-11-01 Bernardo Esteves , Miguel Vasco , Francisco S. Melo

Neural operators generally demonstrate strong predictive performance on in-distribution (ID) problems. However, a critical limitation of existing methods is their significant performance degradation when encountering out-of-distribution…

Machine Learning · Computer Science 2026-05-07 Yizheng Wang , Mohammad Sadegh Eshaghi , Xiaoying Zhuang , Timon Rabczuk , Yinghua Liu

In this paper, we introduce a shallow (one-hidden-layer) physics-informed neural network for solving partial differential equations on static and evolving surfaces. For the static surface case, with the aid of level set function, the…

Numerical Analysis · Mathematics 2025-03-20 Wei-Fan Hu , Yi-Jun Shih , Te-Sheng Lin , Ming-Chih Lai

Accurate quantification of uncertainty in neural network predictions remains a central challenge for scientific applications involving high-dimensional, correlated data. While existing methods capture either aleatoric or epistemic…

Machine Learning · Computer Science 2025-08-26 Harrison J. Goldwyn , Mitchell Krock , Johann Rudi , Daniel Getter , Julie Bessac

Out-of-distribution (OOD) detection has received much attention lately due to its importance in the safe deployment of neural networks. One of the key challenges is that models lack supervision signals from unknown data, and as a result,…

Machine Learning · Computer Science 2022-05-11 Xuefeng Du , Zhaoning Wang , Mu Cai , Yixuan Li

Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these…

Machine Learning · Computer Science 2025-06-27 Peiyan Hu , Rui Wang , Xiang Zheng , Tao Zhang , Haodong Feng , Ruiqi Feng , Long Wei , Yue Wang , Zhi-Ming Ma , Tailin Wu

Fourier Neural Operators (FNOs) excel on tasks using functional data, such as those originating from partial differential equations. Such characteristics render them an effective approach for simulating the time evolution of quantum…

Out-of-distribution (OOD) generalization is a challenging machine learning problem yet highly desirable in many high-stake applications. Existing methods suffer from overly pessimistic modeling with low generalization confidence. As…

Machine Learning · Computer Science 2024-06-10 Fengchun Qiao , Xi Peng