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The smoothing spline is one of the most popular curve-fitting methods, partly because of empirical evidence supporting its effectiveness and partly because of its elegant mathematical formulation. However, there are two obstacles that…

Statistics Theory · Mathematics 2012-09-11 Yu Ryan Yue , Daniel Simpson , Finn Lindgren , Håvard Rue

Optimizing the expected values of probabilistic processes is a central problem in computer science and its applications, arising in fields ranging from artificial intelligence to operations research to statistical computing. Unfortunately,…

Programming Languages · Computer Science 2022-12-14 Alexander K. Lew , Mathieu Huot , Sam Staton , Vikash K. Mansinghka

A computational procedure is developed for the efficient calculation of derivatives of integrals over non-separable Gaussian-type basis functions, used for the evaluation of gradients of the total energy in quantum-mechanical simulations.…

Materials Science · Physics 2023-05-03 Jacques K. Desmarais , Alessandro De Frenza , Alessandro Erba

We present an algorithm for minimizing a sum of functions that combines the computational efficiency of stochastic gradient descent (SGD) with the second order curvature information leveraged by quasi-Newton methods. We unify these…

Machine Learning · Computer Science 2014-12-02 Jascha Sohl-Dickstein , Ben Poole , Surya Ganguli

Spatial processes observed in various fields, such as climate and environmental science, often occur on a large scale and demonstrate spatial nonstationarity. Fitting a Gaussian process with a nonstationary Mat\'ern covariance is…

Machine Learning · Statistics 2023-06-21 Pratik Nag , Yiping Hong , Sameh Abdulah , Ghulam A. Qadir , Marc G. Genton , Ying Sun

Douglas-Rachford splitting and its equivalent dual formulation ADMM are widely used iterative methods in composite optimization problems arising in control and machine learning applications. The performance of these algorithms depends on…

Optimization and Control · Mathematics 2019-06-28 Jacob H. Seidman , Mahyar Fazlyab , Victor M. Preciado , George J. Pappas

We present a static analysis for discovering differentiable or more generally smooth parts of a given probabilistic program, and show how the analysis can be used to improve the pathwise gradient estimator, one of the most popular methods…

Programming Languages · Computer Science 2022-11-15 Wonyeol Lee , Xavier Rival , Hongseok Yang

Variational approximation methods have proven to be useful for scaling Bayesian computations to large data sets and highly parametrized models. Applying variational methods involves solving an optimization problem, and recent research in…

Methodology · Statistics 2017-01-13 Victor M. -H. Ong , David J. Nott , Michael S. Smith

Automatic cubatures approximate integrals to user-specified error tolerances. For high dimensional problems, it is difficult to adaptively change the sampling pattern to focus on peaks because peaks can hide more easily in high dimensional…

Numerical Analysis · Mathematics 2022-10-10 Jagadeeswaran Rathinavel

A new method to represent and approximate rotation matrices is introduced. The method represents approximations of a rotation matrix $Q$ with linearithmic complexity, i.e. with $\frac{1}{2}n\lg(n)$ rotations over pairs of coordinates,…

Machine Learning · Computer Science 2014-04-30 Michael Mathieu , Yann LeCun

Determining physical properties inside an object without access to direct measurements of target regions can be formulated as a specific type of \textit{inverse problem}. One of such problems is applied in \textit{Electrical Impedance…

Numerical Analysis · Mathematics 2023-01-30 Ivan Pombo , Luis Sarmento

Existing computationally efficient methods for penalized likelihood GAM fitting employ iterative smoothness selection on working linear models (or working mixed models). Such schemes fail to converge for a non-negligible proportion of…

Methodology · Statistics 2015-11-13 Simon N. Wood

The Harmonic Balance-Alternating Frequency-Time domain (HB-AFT) method is extensively employed for dynamic response analysis of nonlinear systems. However, its application to high-dimensional complex systems is constrained by the manual…

Computational Engineering, Finance, and Science · Computer Science 2025-08-12 Yi Chen , Yuhong Jin , Rongzhou Lin , Yifan Jiang , Xutao Mei , Lei Houb , Yilong Wang , Ng Teng Yong , Anxin Guo

This paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a…

Computational Engineering, Finance, and Science · Computer Science 2025-05-09 Ryan Yan , D. Thomas Seidl , Reese E. Jones , Panayiotis Papadopoulos

We address a frequently asked question on the covariance fitting of the highly correlated data such as our $B_K$ data based on the SU(2) staggered chiral perturbation theory. Basically, the essence of the problem is that we do not have an…

High Energy Physics - Lattice · Physics 2012-08-22 Boram Yoon , Yong-Chull Jang , Chulwoo Jung , Weonjong Lee

In this paper we present a novel inference methodology to perform Bayesian inference for spatiotemporal Cox processes where the intensity function depends on a multivariate Gaussian process. Dynamic Gaussian processes are introduced to…

Methodology · Statistics 2019-03-12 Flávio B. Gonçalves , Dani Gamerman

In this article, we discuss two specific classes of models - Gaussian Mixture Copula models and Mixture of Factor Analyzers - and the advantages of doing inference with gradient descent using automatic differentiation. Gaussian mixture…

Computation · Statistics 2018-12-17 Siva Rajesh Kasa , Vaibhav Rajan

Anomaly detection with multivariate Gaussian distribution, which we refer to as Gassian anomaly detection (GAD), is a prominent task in data mining and machine learning. The core task of GAD is to obtain the mean value vector and the…

Quantum Physics · Physics 2025-09-24 Chao-Hua Yu , Hong-Miao Rao , Ying-Pei Wu , De-Xi Liu , Xi-Ping Liu , Lin-Chun Wan

This work studies finite sample approximations of the exact and entropic regularized Wasserstein distances between centered Gaussian processes and, more generally, covariance operators of functional random processes. We first show that…

Machine Learning · Statistics 2021-04-27 Minh Ha Quang

The state-of-the-art methods for estimating high-dimensional covariance matrices all shrink the eigenvalues of the sample covariance matrix towards a data-insensitive shrinkage target. The underlying shrinkage transformation is either…

Machine Learning · Statistics 2025-11-25 Man-Chung Yue , Yves Rychener , Daniel Kuhn , Viet Anh Nguyen