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Data-driven methods based on machine learning have the potential to accelerate computational analysis of atomic structures. In this context, reliable uncertainty estimates are important for assessing confidence in predictions and enabling…

Machine Learning · Computer Science 2021-11-04 Jonas Busk , Peter Bjørn Jørgensen , Arghya Bhowmik , Mikkel N. Schmidt , Ole Winther , Tejs Vegge

We present a deep learning framework for quantifying and propagating uncertainty in systems governed by non-linear differential equations using physics-informed neural networks. Specifically, we employ latent variable models to construct…

Machine Learning · Statistics 2019-06-26 Yibo Yang , Paris Perdikaris

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-informed Machine Learning has recently become attractive for learning physical parameters and features from simulation and observation data. However, most existing methods do not ensure that the physics, such as balance laws (e.g.,…

Numerical Analysis · Mathematics 2021-09-10 Satish Karra , Bulbul Ahmmed , Maruti K. Mudunuru

Jet measurements in heavy ion collisions can provide constraints on the properties of the quark gluon plasma, but the kinematic reach is limited by a large, fluctuating background. We present a novel application of symbolic regression to…

High Energy Physics - Experiment · Physics 2024-03-12 Tanner Mengel , Patrick Steffanic , Charles Hughes , Antonio Carlos Oliveira da Silva , Christine Nattrass

Initial value problems -- a system of ordinary differential equations and corresponding initial conditions -- can be used to describe many physical phenomena including those arise in classical mechanics. We have developed a novel approach…

Computational Physics · Physics 2025-05-27 Jack Griffiths , Steven A. Wrathmall , Simon A. Gardiner

Recently, multilayer bootstrap network (MBN) has demonstrated promising performance in unsupervised dimensionality reduction. It can learn compact representations in standard data sets, i.e. MNIST and RCV1. However, as a bootstrap method,…

Machine Learning · Computer Science 2015-03-24 Xiao-Lei Zhang

Unsupervised machine learning is widely used to mine large, unlabeled datasets to make data-driven discoveries in critical domains such as climate science, biomedicine, astronomy, chemistry, and more. However, despite its widespread…

Machine Learning · Computer Science 2025-06-06 Andersen Chang , Tiffany M. Tang , Tarek M. Zikry , Genevera I. Allen

Federated learning is a promising privacy-preserving paradigm for distributed machine learning. In this context, there is sometimes a need for a specialized process called machine unlearning, which is required when the effect of some…

Cryptography and Security · Computer Science 2024-06-19 Heng Xu , Tianqing Zhu , Lefeng Zhang , Wanlei Zhou , Philip S. Yu

A grand challenge in machine learning is the development of computational algorithms that match or outperform humans in perceptual inference tasks that are complicated by nuisance variation. For instance, visual object recognition involves…

Machine Learning · Statistics 2015-04-03 Ankit B. Patel , Tan Nguyen , Richard G. Baraniuk

Binary neural networks, i.e., neural networks whose parameters and activations are constrained to only two possible values, offer a compelling avenue for the deployment of deep learning models on energy- and memory-limited devices. However,…

Unsupervised meta-learning aims to learn feature representations from unsupervised datasets that can transfer to downstream tasks with limited labeled data. In this paper, we propose a novel approach to unsupervised meta-learning that…

Machine Learning · Computer Science 2025-02-11 Anna Vettoruzzo , Lorenzo Braccaioli , Joaquin Vanschoren , Marlena Nowaczyk

Physical data are representations of the fundamental laws governing the Universe, hiding complex compositional structures often well captured by hierarchical graphs. Hyperbolic spaces are endowed with a non-Euclidean geometry that naturally…

High Energy Physics - Phenomenology · Physics 2024-12-11 Nathaniel S. Woodward , Sang Eon Park , Gaia Grosso , Jeffrey Krupa , Philip Harris

Physics-informed neural networks (PINNs) provide a promising framework for solving inverse problems governed by partial differential equations (PDEs) by integrating observational data and physical constraints in a unified optimization…

Machine Learning · Computer Science 2026-04-07 Yongsheng Chen , Yong Chen , Wei Guo , Xinghui Zhong

We describe an adaptation and application of a search-based structured prediction algorithm "Searn" to unsupervised learning problems. We show that it is possible to reduce unsupervised learning to supervised learning and demonstrate a…

Machine Learning · Computer Science 2009-06-30 Hal Daumé

We propose self-adaptive training -- a unified training algorithm that dynamically calibrates and enhances training processes by model predictions without incurring an extra computational cost -- to advance both supervised and…

Machine Learning · Computer Science 2022-10-17 Lang Huang , Chao Zhang , Hongyang Zhang

Unsupervised machine learning is a cornerstone of artificial intelligence as it provides algorithms capable of learning tasks, such as classification of data, without explicit human assistance. We present an unsupervised deep learning…

Disordered Systems and Neural Networks · Physics 2020-03-23 Oleksandr Balabanov , Mats Granath

Parameter estimation remains a challenging task across many areas of engineering. Because data acquisition can often be costly, limited, or prone to inaccuracies (noise, uncertainty) it is crucial to identify sensor configurations that…

Machine Learning · Statistics 2025-11-20 Georgios Venianakis , Constantinos Theodoropoulos , Michail Kavousanakis

In this work we propose for the first time a transformer-based framework for unsupervised representation learning of multivariate time series. Pre-trained models can be potentially used for downstream tasks such as regression and…

Machine Learning · Computer Science 2020-12-10 George Zerveas , Srideepika Jayaraman , Dhaval Patel , Anuradha Bhamidipaty , Carsten Eickhoff

Empirical data, on which deep learning relies, has substantial internal structure, yet prevailing theories often disregard this aspect. Recent research has led to the definition of structured data ensembles, aimed at equipping established…

Disordered Systems and Neural Networks · Physics 2023-11-13 Andrea Baroffio , Pietro Rotondo , Marco Gherardi
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