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Accurate modeling of boundary conditions is crucial in computational physics. The ever increasing use of neural networks as surrogates for physics-related problems calls for an improved understanding of boundary condition treatment, and its…

Machine Learning · Computer Science 2021-07-06 Antonio Alguacil , Wagner Gonçalves Pinto , Michael Bauerheim , Marc C. Jacob , Stéphane Moreau

Nonnegative matrix factorization (NMF) under the separability assumption can provably be solved efficiently, even in the presence of noise, and has been shown to be a powerful technique in document classification and hyperspectral unmixing.…

Machine Learning · Statistics 2015-04-02 Nicolas Gillis , Stephen A. Vavasis

Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, researchers find it useful to interpret an output of…

Machine Learning · Computer Science 2020-03-18 Soojung Yang , Kyung Hoon Lee , Seongok Ryu

Physics informed neural networks (PINNs) have recently been widely used for robust and accurate approximation of PDEs. We provide rigorous upper bounds on the generalization error of PINNs approximating solutions of the forward problem for…

Numerical Analysis · Mathematics 2023-12-07 Siddhartha Mishra , Roberto Molinaro

In this paper we address the issue of output instability of deep neural networks: small perturbations in the visual input can significantly distort the feature embeddings and output of a neural network. Such instability affects many deep…

Computer Vision and Pattern Recognition · Computer Science 2016-04-18 Stephan Zheng , Yang Song , Thomas Leung , Ian Goodfellow

The preconditioned iterative solution of large-scale saddle-point systems is of great importance in numerous application areas, many of them involving partial differential equations. Robustness with respect to certain problem parameters is…

Numerical Analysis · Mathematics 2021-04-22 Roland Herzog

We propose a new method to ensure neural ordinary differential equations (ODEs) satisfy output specifications by using invariance set propagation. Our approach uses a class of control barrier functions to transform output specifications…

Machine Learning · Computer Science 2023-06-01 Wei Xiao , Tsun-Hsuan Wang , Ramin Hasani , Mathias Lechner , Yutong Ban , Chuang Gan , Daniela Rus

This paper introduces a new preconditioning technique that is suitable for matrices arising from the discretization of a system of PDEs on unstructured grids. The preconditioner satisfies a so-called filtering property, which ensures that…

Numerical Analysis · Computer Science 2011-03-17 Laura Grigori , Frédéric Nataf

Stability is a fundamental property of dynamical systems, yet to this date it has had little bearing on the practice of recurrent neural networks. In this work, we conduct a thorough investigation of stable recurrent models. Theoretically,…

Machine Learning · Computer Science 2019-03-05 John Miller , Moritz Hardt

Likelihood ratios are used for a variety of applications in particle physics data analysis, including parameter estimation, unfolding, and anomaly detection. When the data are high-dimensional, neural networks provide an effective tools for…

High Energy Physics - Phenomenology · Physics 2025-03-27 Fernando Torales Acosta , Tanvi Wamorkar , Vinicius Mikuni , Benjamin Nachman

Compressive sampling has been widely used for sparse polynomial chaos (PC) approximation of stochastic functions. The recovery accuracy of compressive sampling highly depends on the incoherence properties of the measurement matrix. In this…

Computation · Statistics 2018-10-17 Negin Alemazkoor , Hadi Meidani

We present a robust and scalable preconditioner for the solution of large-scale linear systems that arise from the discretization of elliptic PDEs amenable to rank compression. The preconditioner is based on hierarchical low-rank…

Numerical Analysis · Mathematics 2017-12-27 Gustavo Chávez , George Turkiyyah , Stefano Zampini , David Keyes

Recent work has provided indirect evidence that pretraining language models on code improves the ability of models to track state changes of discourse entities expressed in natural language. In this work, we systematically test this claim…

Computation and Language · Computer Science 2024-06-03 Najoung Kim , Sebastian Schuster , Shubham Toshniwal

Pre-trained language model representations have been successful in a wide range of language understanding tasks. In this paper, we examine different strategies to integrate pre-trained representations into sequence to sequence models and…

Computation and Language · Computer Science 2019-04-02 Sergey Edunov , Alexei Baevski , Michael Auli

We propose a geometry-aware strategy for training neural preconditioners tailored to parametrized linear systems arising from the discretization of mixed-dimensional partial differential equations (PDEs). These systems are typically…

Numerical Analysis · Mathematics 2025-07-22 Nunzio Dimola , Alessandro Coclite , Paolo Zunino

In this work, we propose ModelPred, a framework that helps to understand the impact of changes in training data on a trained model. This is critical for building trust in various stages of a machine learning pipeline: from cleaning…

Machine Learning · Computer Science 2022-12-27 Yingyan Zeng , Jiachen T. Wang , Si Chen , Hoang Anh Just , Ran Jin , Ruoxi Jia

Training deep learning models, particularly Transformer-based architectures such as Large Language Models (LLMs), demands substantial computational resources and extended training periods. While optimal configuration and infrastructure…

Machine Learning · Computer Science 2024-12-30 Alireza Pourali , Arian Boukani , Hamzeh Khazaei

The massive computational costs associated with large language model (LLM) pretraining have spurred great interest in reduced-precision floating-point representations to accelerate the process. As a result, the BrainFloat16 (BF16) precision…

Machine Learning · Computer Science 2025-03-26 Joonhyung Lee , Jeongin Bae , Byeongwook Kim , Se Jung Kwon , Dongsoo Lee

Stability of recurrent models is closely linked with trainability, generalizability and in some applications, safety. Methods that train stable recurrent neural networks, however, do so at a significant cost to expressibility. We propose an…

Machine Learning · Computer Science 2019-12-24 Max Revay , Ian R. Manchester

Neural operators are a type of deep architecture that learns to solve (i.e. learns the nonlinear solution operator of) partial differential equations (PDEs). The current state of the art for these models does not provide explicit…

Machine Learning · Computer Science 2022-08-03 Emilia Magnani , Nicholas Krämer , Runa Eschenhagen , Lorenzo Rosasco , Philipp Hennig
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