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We apply a global sensitivity method, the Hilbert-Schmidt independence criterion (HSIC), to the reparameterization of a Zn/S/H ReaxFF force field to identify the most appropriate parameters for reparameterization. Parameter selection…

Chemical Physics · Physics 2023-04-12 Michael Freitas Gustavo , Matti Hellström , Toon Verstraelen

In this paper, we leverage existing statistical methods to better understand feature learning from data. We tackle this by modifying the model-free variable selection method, Feature Ordering by Conditional Independence (FOCI), which is…

Machine Learning · Statistics 2025-02-14 Krunoslav Lehman Pavasovic , David Lopez-Paz , Giulio Biroli , Levent Sagun

We propose a new causal inference framework to learn causal effects from multiple, decentralized data sources in a federated setting. We introduce an adaptive transfer algorithm that learns the similarities among the data sources by…

Machine Learning · Computer Science 2023-01-03 Thanh Vinh Vo , Arnab Bhattacharyya , Young Lee , Tze-Yun Leong

Selecting the top-$k$ highest scoring items under differential privacy (DP) is a fundamental task with many applications. This work presents three new results. First, the exponential mechanism, permute-and-flip and report-noisy-max, as well…

Machine Learning · Computer Science 2022-02-01 Michael Shekelyan , Grigorios Loukides

Dictionary learning and component analysis are part of one of the most well-studied and active research fields, at the intersection of signal and image processing, computer vision, and statistical machine learning. In dictionary learning,…

Machine Learning · Statistics 2017-07-27 Mehdi Bahri , Yannis Panagakis , Stefanos Zafeiriou

Most work in algorithmic fairness to date has focused on discrete outcomes, such as deciding whether to grant someone a loan or not. In these classification settings, group fairness criteria such as independence, separation and sufficiency…

Machine Learning · Computer Science 2020-02-18 Daniel Steinberg , Alistair Reid , Simon O'Callaghan , Finnian Lattimore , Lachlan McCalman , Tiberio Caetano

The density estimation is one of the core problems in statistics. Despite this, existing techniques like maximum likelihood estimation are computationally inefficient due to the intractability of the normalizing constant. For this reason an…

Machine Learning · Computer Science 2021-01-14 Tsimboy Olga , Yermek Kapushev , Evgeny Burnaev , Ivan Oseledets

This paper presents a new method for learning dissipative Hamiltonian dynamics from a limited and noisy dataset. The method uses the Helmholtz decomposition to learn a vector field as the sum of a symplectic and a dissipative vector field.…

Machine Learning · Computer Science 2025-03-18 Torbjørn Smith , Olav Egeland

This paper proposes a channel estimation method for Multiple-Input Multiple-Output (MIMO) systems based on Canonical Polyadic (CP) decomposition applied to a mode-factorized tensor representation of the channel. The proposed approach…

Information Theory · Computer Science 2026-05-20 Alexander Blagodarnyi , Alexander Sherstobitov , Vladimir Lyashev

We propose a greedy strategy to spectrally train a deep network for multi-class classification. Each layer is defined as a composition of linear weights with the feature map of a Gaussian kernel acting as the activation function. At each…

Machine Learning · Computer Science 2020-11-11 Chieh Wu , Aria Masoomi , Arthur Gretton , Jennifer Dy

The CANDECOMP/PARAFAC (or Canonical polyadic, CP) decomposition of tensors has numerous applications in various fields, such as chemometrics, signal processing, machine learning, etc. Tensor CP decomposition assumes the knowledge of the…

Numerical Analysis · Mathematics 2025-01-08 Zihao Wang , Minru Bai , Liang Chen , Xueying Zhao

Feature matters. How to train a deep network to acquire discriminative features across categories and polymerized features within classes has always been at the core of many computer vision tasks, specially for large-scale recognition…

Computer Vision and Pattern Recognition · Computer Science 2017-10-31 Yu Liu , Hongyang Li , Xiaogang Wang

Computing low-rank approximations of kernel matrices is an important problem with many applications in scientific computing and data science. We propose methods to efficiently approximate and store low-rank approximations to kernel matrices…

Numerical Analysis · Mathematics 2025-03-14 Abraham Khan , Arvind K. Saibaba

By removing irrelevant and redundant features, feature selection aims to find a good representation of the original features. With the prevalence of unlabeled data, unsupervised feature selection has been proven effective in alleviating the…

Machine Learning · Computer Science 2024-03-25 Ziyuan Lin , Deanna Needell

K-FAC is a successful tractable implementation of Natural Gradient for Deep Learning, which nevertheless suffers from the requirement to compute the inverse of the Kronecker factors (through an eigen-decomposition). This can be very…

Machine Learning · Computer Science 2022-11-28 Constantin Octavian Puiu

Kernel methods form a powerful, versatile, and theoretically-grounded unifying framework to solve nonlinear problems in signal processing and machine learning. The standard approach relies on the kernel trick to perform pairwise evaluations…

Machine Learning · Computer Science 2019-12-11 Kan Li , Jose C. Principe

Tensor rank learning for canonical polyadic decomposition (CPD) has long been deemed as an essential yet challenging problem. In particular, since the tensor rank controls the complexity of the CPD model, its inaccurate learning would cause…

Machine Learning · Computer Science 2022-03-30 Lei Cheng , Zhongtao Chen , Qingjiang Shi , Yik-Chung Wu , Sergios Theodoridis

The field of quantum machine learning is a promising way to lead to a revolution in intelligent data processing methods. In this way, a hybrid learning method based on classic kernel methods is proposed. This proposal also requires the…

Quantum Physics · Physics 2024-11-01 Jhordan Silveira de Borba , Jonas Maziero

In this paper we study the problem of noisy tensor completion for tensors that admit a canonical polyadic or CANDECOMP/PARAFAC (CP) decomposition with one of the factors being sparse. We present general theoretical error bounds for an…

Machine Learning · Statistics 2017-04-11 Swayambhoo Jain , Alexander Gutierrez , Jarvis Haupt

Machine learning methods are used to discover complex nonlinear relationships in biological and medical data. However, sophisticated learning models are computationally unfeasible for data with millions of features. Here we introduce the…