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Kernel learning methods are among the most effective learning methods and have been vigorously studied in the past decades. However, when tackling with complicated tasks, classical kernel methods are not flexible or "rich" enough to…

Machine Learning · Computer Science 2019-10-08 Jiaxuan Xie , Fanghui Liu , Kaijie Wang , Xiaolin Huang

We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse…

Chemical Physics · Physics 2015-03-18 Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Measurements of systems taken along a continuous functional dimension, such as time or space, are ubiquitous in many fields, from the physical and biological sciences to economics and engineering.Such measurements can be viewed as…

Deploying deep learning models, comprising of non-linear combination of millions, even billions, of parameters is challenging given the memory, power and compute constraints of the real world. This situation has led to research into model…

Machine Learning · Computer Science 2020-05-29 Muhammad A. Shah , Raphael Olivier , Bhiksha Raj

Conditional independence testing is a fundamental problem underlying causal discovery and a particularly challenging task in the presence of nonlinear and high-dimensional dependencies. Here a fully non-parametric test for continuous data…

Machine Learning · Statistics 2017-09-06 Jakob Runge

The success of deep learning has inspired recent interests in applying neural networks in statistical inference. In this paper, we investigate the use of deep neural networks for nonparametric regression with measurement errors. We propose…

Machine Learning · Statistics 2020-07-16 Zhirui Hu , Zheng Tracy Ke , Jun S Liu

A model-independent or non-parametric approach for modeling a database has been widely used in cosmology. In these scenarios, the data has been used directly to reconstruct an underlying function. In this work, we introduce a novel…

Cosmology and Nongalactic Astrophysics · Physics 2023-01-19 Ahmad Mehrabi

Parametric factor copula models typically work well in modeling multivariate dependencies due to their flexibility and ability to capture complex dependency structures. However, accurately estimating the linking copulas within these models…

Methodology · Statistics 2025-10-22 Bahareh Ghanbari , Pavel Krupskiy , Laleh Tafakori , Yan Wang

Measuring and testing dependence between complex objects is of great importance in modern statistics. Most existing work relied on the distance between random variables, which inevitably required the moment conditions to guarantee the…

Methodology · Statistics 2023-04-19 Yilin Zhang , Songshan Yang

Machine learning (ML) entered the field of computational micromagnetics only recently. The main objective of these new approaches is the automatization of solutions of parameter-dependent problems in micromagnetism such as fast response…

Computational Physics · Physics 2021-07-15 Sebastian Schaffer , Norbert J. Mauser , Thomas Schrefl , Dieter Suess , Lukas Exl

Research in modern data-driven dynamical systems is typically focused on the three key challenges of high dimensionality, unknown dynamics, and nonlinearity. The dynamic mode decomposition (DMD) has emerged as a cornerstone for modeling…

Fluid Dynamics · Physics 2022-04-27 Peter J. Baddoo , Benjamin Herrmann , Beverley J. McKeon , Steven L. Brunton

Previous work showed empirically that large neural networks can be significantly reduced in size while preserving their accuracy. Model compression became a central research topic, as it is crucial for deployment of neural networks on…

Machine Learning · Computer Science 2020-01-06 Ben Mussay , Margarita Osadchy , Vladimir Braverman , Samson Zhou , Dan Feldman

Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…

Computational Physics · Physics 2025-03-12 Jamie Holber , Krishna Garikipati

Active learning is typically used to label data, when the labeling process is expensive. Several active learning algorithms have been theoretically proved to perform better than their passive counterpart. However, these algorithms rely on…

Machine Learning · Computer Science 2021-02-23 Boris Ndjia Njike , Xavier Siebert

Machine learning methods have found novel application areas in various disciplines as they offer low-computational cost solutions to complex problems. Recently, metasurface design has joined among these applications, and neural networks…

Applied Physics · Physics 2020-10-07 Ibrahim Tanriover , Wisnu Hadibrata , Koray Aydin

We introduce an evidence-driven Bayesian formulation of physics-informed neural networks that enables automatic optimization of loss weights between PDE residuals, boundary conditions, and observational data. Unlike existing Bayesian PINN…

Computational Physics · Physics 2026-05-29 Krzysztof M. Graczyk , Kornel Witkowski

This paper analyzes a new regularized learning scheme for high dimensional partially linear support vector machine. The proposed approach consists of an empirical risk and the Lasso-type penalty for linear part, as well as the standard…

Statistics Theory · Mathematics 2020-06-08 Yifan Xia , Yongchao Hou , Shaogao Lv

Model-independent searches in particle physics aim at completing our knowledge of the universe by looking for new possible particles not predicted by the current theories. Such particles, referred to as signal, are expected to behave as a…

Applications · Statistics 2019-05-31 Alessandro Casa , Giovanna Menardi

No matter the nature of the response and/or explanatory variables in a regression model, some basic issues such as the existence of an effect of the predictor on the response, or the assessment of a common shape across groups of…

Applications · Statistics 2020-09-01 María Alonso-Pena , Jose Ameijeiras-Alonso , Rosa M. Crujeiras

A combination of deep reinforcement learning and supervised learning is proposed for the problem of active sequential hypothesis testing in completely unknown environments. We make no assumptions about the prior probability, the action and…

Artificial Intelligence · Computer Science 2023-06-07 George Stamatelis , Nicholas Kalouptsidis
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