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The validity of estimation and smoothing parameter selection for the wide class of generalized additive models for location, scale and shape (GAMLSS) relies on the correct specification of a likelihood function. Deviations from such…

Methodology · Statistics 2019-11-14 William H. Aeberhard , Eva Cantoni , Giampiero Marra , Rosalba Radice

A statistical emulator can be used as a surrogate of complex physics-based calculations to drastically reduce the computational cost. Its successful implementation hinges on an accurate representation of the nonlinear response surface with…

Chemical Physics · Physics 2024-01-31 Xinyi Fang , Mengyang Gu , Jianzhong Wu

Motivation: Alignment-free distance and similarity functions (AF functions, for short) are a well established alternative to two and multiple sequence alignments for many genomic, metagenomic and epigenomic tasks. Due to data-intensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Umberto Ferraro Petrillo , Francesco Palini , Giuseppe Cattaneo , Raffaele Giancarlo

High-dimensional functional data are becoming increasingly common in fields such as environmental monitoring and neuroimaging. This paper studies high-dimensional functional linear regression models that relate a scalar response to…

Methodology · Statistics 2026-05-08 Xingche Guo , Yehua Li , Pang Du

In a recent article (Proc. Natl. Acad. Sci., 110(36), 14557-14562), El Karoui et al. study the distribution of robust regression estimators in the regime in which the number of parameters p is of the same order as the number of samples n.…

Statistics Theory · Mathematics 2013-11-18 David Donoho , Andrea Montanari

In this work, we propose a novel adaptive stochastic gradient-free (ASGF) approach for solving high-dimensional nonconvex optimization problems based on function evaluations. We employ a directional Gaussian smoothing of the target function…

Optimization and Control · Mathematics 2022-01-19 Anton Dereventsov , Clayton G. Webster , Joseph D. Daws

Inhomogeneities in real-world data, e.g., due to changes in the observation noise level or variations in the structural complexity of the source function, pose a unique set of challenges for statistical inference. Accounting for them can…

Machine Learning · Computer Science 2023-12-13 Danny Panknin , Stefan Chmiela , Klaus-Robert Müller , Shinichi Nakajima

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be…

Chemical Physics · Physics 2025-12-03 Rohit Goswami , Hannes Jónsson

This work introduces a novel adaptive mesh refinement (AMR) method that utilizes dominant balance analysis (DBA) for efficient and accurate grid adaptation in computational fluid dynamics (CFD) simulations. The proposed method leverages a…

Fluid Dynamics · Physics 2024-11-06 Gaurav Kumar , Aditya G. Nair

High dimensional Vector Autoregressions (VAR) have received a lot of interest recently due to novel applications in health, engineering, finance and the social sciences. Three issues arise when analyzing VAR's: (a) The high dimensional…

Statistics Theory · Mathematics 2022-11-15 Sagnik Halder , George Michailidis

Gaussian processes are a widely embraced technique for regression and classification due to their good prediction accuracy, analytical tractability and built-in capabilities for uncertainty quantification. However, they suffer from the…

Optimization and Control · Mathematics 2024-02-07 Mickael Binois , Victor Picheny

Anomaly detection (AD) plays a vital role across a wide range of real-world domains by identifying data instances that deviate from expected patterns, potentially signaling critical events such as system failures, fraudulent activities, or…

Machine Learning · Computer Science 2025-07-11 Amirhossein Sadough , Mahyar Shahsavari , Mark Wijtvliet , Marcel van Gerven

We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the…

Machine Learning · Computer Science 2024-10-22 Syrine Belakaria , Benjamin Letham , Janardhan Rao Doppa , Barbara Engelhardt , Stefano Ermon , Eytan Bakshy

We analyze the dynamics of an algorithm for approximate inference with large Gaussian latent variable models in a student-teacher scenario. To model nontrivial dependencies between the latent variables, we assume random covariance matrices…

Machine Learning · Computer Science 2020-08-26 Burak Çakmak , Manfred Opper

Anomaly detection (AD) is the machine learning task of identifying highly discrepant abnormal samples by solely relying on the consistency of the normal training samples. Under the constraints of a distribution shift, the assumption that…

Machine Learning · Computer Science 2023-12-25 João B. S. Carvalho , Mengtao Zhang , Robin Geyer , Carlos Cotrini , Joachim M. Buhmann

All machine learning algorithms use a loss, cost, utility or reward function to encode the learning objective and oversee the learning process. This function that supervises learning is a frequently unrecognized hyperparameter that…

Neural and Evolutionary Computing · Computer Science 2024-11-06 Mathew Mithra Noel , Arindam Banerjee , Yug Oswal , Geraldine Bessie Amali D , Venkataraman Muthiah-Nakarajan

Value function approximation is a crucial module for policy evaluation in reinforcement learning when the state space is large or continuous. The present paper takes a generative perspective on policy evaluation via temporal-difference (TD)…

Machine Learning · Statistics 2021-12-03 Qin Lu , Georgios B. Giannakis

For artificial deep neural networks, we prove expression rates for analytic functions $f:\mathbb{R}^d\to\mathbb{R}$ in the norm of $L^2(\mathbb{R}^d,\gamma_d)$ where $d\in {\mathbb{N}}\cup\{ \infty \}$. Here $\gamma_d$ denotes the Gaussian…

Numerical Analysis · Mathematics 2021-11-16 Christoph Schwab , Jakob Zech

Density functional theory (DFT) serves as the basis for computational discovery in materials science and chemistry, yet each calculation demands extensive human effort: adjusting algorithms when convergence stalls, revising plans when…

Materials Science · Physics 2026-05-27 Penghui Yang , Zhonghan Zhang , Yue Li , Xinrun Wag , Yanchen Deng , Yuhao Lu , Bijun Tang , Zheng Liu , Bo An

Datasets with extreme observations and/or heavy-tailed error distributions are commonly encountered and should be analyzed with careful consideration of these features from a statistical perspective. Small deviations from an assumed model,…

Methodology · Statistics 2023-01-12 Meadhbh O'Neill , Kevin Burke