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Bootstrapping was designed to randomly resample data from a fixed sample using Monte Carlo techniques. However, the original sample itself defines a discrete distribution. Convolutional methods are well suited for discrete distributions,…

Methodology · Statistics 2021-07-19 Jared M. Clark , Richard L. Warr

Quantum computing is a promising way to systematically solve the longstanding computational problem, the ground state of a many-body fermion system. Many efforts have been made to realise certain forms of quantum advantage in this problem,…

Quantum Physics · Physics 2023-08-09 Xiaosi Xu , Ying Li

There is a rich literature on clustering functional data with applications to time-series modeling, trajectory data, and even spatio-temporal applications. However, existing methods routinely perform global clustering that enforces…

Methodology · Statistics 2024-12-16 Tsung-Hung Yao , Suprateek Kundu

We introduce an efficient numerical implementation of a Markov Chain Monte Carlo method to sample a probability distribution on a manifold (introduced theoretically in Zappa, Holmes-Cerfon, Goodman (2018)), where the manifold is defined by…

Computation · Statistics 2023-08-22 Kerun Xu , Miranda Holmes-Cerfon

Bayesian neural networks (BNNs) provide a formalism to quantify and calibrate uncertainty in deep learning. Current inference approaches for BNNs often resort to few-sample estimation for scalability, which can harm predictive performance,…

Machine Learning · Computer Science 2024-02-14 Zhe Zeng , Guy Van den Broeck

Limbo is an open-source C++11 library for Bayesian optimization which is designed to be both highly flexible and very fast. It can be used to optimize functions for which the gradient is unknown, evaluations are expensive, and runtime cost…

Machine Learning · Computer Science 2016-11-23 Antoine Cully , Konstantinos Chatzilygeroudis , Federico Allocati , Jean-Baptiste Mouret

We describe the PDFI_SS software library, which is designed to find the electric field at the Sun's photosphere from a sequence of vector magnetogram and Doppler velocity measurements, and estimates of horizontal velocities obtained from…

Approximate Bayesian Computation (ABC) is a statistical learning technique to calibrate and select models by comparing observed data to simulated data. This technique bypasses the use of the likelihood and requires only the ability to…

Computation · Statistics 2021-05-04 Pierre-Olivier Goffard , Patrick J. Laub

The preferential sampling of locations chosen to observe a spatio-temporal process has been identified as a major problem across multiple fields. Predictions of the process can be severely biased when standard statistical methodologies are…

Methodology · Statistics 2020-03-05 Joe Watson

Multi-vector document retrieval systems, such as ColPali, excel in fine-grained matching for complex queries but incur significant storage and computational costs due to their reliance on high-dimensional patch embeddings and…

Information Retrieval · Computer Science 2025-07-03 Duong Bach

We present Active Learning for Accelerated Bayesian Inference (\texttt{alabi}): an open-source Python package for performing Bayesian inference with computationally expensive models. Given a forward model and observational data to construct…

Instrumentation and Methods for Astrophysics · Physics 2026-03-20 Jessica Birky , Rory K. Barnes

A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…

Chemical Physics · Physics 2015-10-05 Edward O. Pyzer-Knapp , Gregor N. Simm , Alan Aspuru-Guzik

Bayesian inference is a widely used technique for real-time characterization of quantum systems. It excels in experimental characterization in the low data regime, and when the measurements have degrees of freedom. A decisive factor for its…

Quantum Physics · Physics 2025-07-10 Alexandra Ramôa , Raffaele Santagati , Nathan Wiebe

Bayesian optimization (BO) is a sample-efficient method and has been widely used for optimizing expensive black-box functions. Recently, there has been a considerable interest in BO literature in optimizing functions that are affected by…

Machine Learning · Computer Science 2023-12-22 Xiaobin Huang , Lei Song , Ke Xue , Chao Qian

Experimental data in Particle and Nuclear physics, Particle Astrophysics and Radiation Protection Dosimetry are obtained from experimental facilities comprising a complex array of sensors, electronics and software. Computer simulation is…

Data Analysis, Statistics and Probability · Physics 2025-03-06 Nikolay D. Gagunashvili

We demonstrate that the recently proposed pruned-enriched Rosenbluth method (P. Grassberger, Phys. Rev. E 56 (1997) 3682) leads to extremely efficient algorithms for the folding of simple model proteins. We test them on several models for…

Statistical Mechanics · Physics 2009-10-30 Helge Frauenkron , Ugo Bastolla , Erwin Gerstner , Peter Grassberger , Walter Nadler

This paper concerns the convergence of empirical measures in high dimensions. We propose a new class of probability metrics and show that under such metrics, the convergence is free of the curse of dimensionality (CoD). Such a feature is…

Probability · Mathematics 2023-09-19 Jiequn Han , Ruimeng Hu , Jihao Long

Bayesian optimization works effectively optimizing parameters in black-box problems. However, this method did not work for high-dimensional parameters in limited trials. Parameters can be efficiently explored by nonlinearly embedding them…

Machine Learning · Computer Science 2022-06-14 Shoki Miyagawa , Atsuyoshi Yano , Naoko Sawada , Isamu Ogawa

Automatic and adaptive approximation, optimization, or integration of functions in a cone with guarantee of accuracy is a relatively new paradigm. Our purpose is to create an open-source MATLAB package, Guaranteed Automatic Integration…

Mathematical Software · Computer Science 2015-03-25 Sou-Cheng T. Choi , Yuhan Ding , Fred J. Hickernell , Lan Jiang , Lluís Antoni Jiménez Rugama , Xin Tong , Yizhi Zhang , Xuan Zhou

Variational Bayesian phylogenetic inference (VBPI) provides a promising general variational framework for efficient estimation of phylogenetic posteriors. However, the current diagonal Lognormal branch length approximation would…

Populations and Evolution · Quantitative Biology 2020-12-02 Cheng Zhang
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