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We introduce Manifold Sobolev Informed Neural Optimization (MSINO), a curvature aware training framework for neural networks defined on Riemannian manifolds. The method replaces standard Euclidean derivative supervision with a covariant…

Machine Learning · Computer Science 2026-02-27 Suresan Pareth

We present a novel Bayesian inference tool that uses a neural network to parameterise efficient Markov Chain Monte-Carlo (MCMC) proposals. The target distribution is first transformed into a diagonal, unit variance Gaussian by a series of…

Cosmology and Nongalactic Astrophysics · Physics 2020-06-03 Adam Moss

The ever increasing computational cost of Deep Neural Networks (DNN) and the demand for energy efficient hardware for DNN acceleration has made accuracy and hardware cost co-optimization for DNNs tremendously important, especially for edge…

Machine Learning · Computer Science 2019-06-20 Maryam Parsa , Aayush Ankit , Amirkoushyar Ziabari , Kaushik Roy

Developing efficient Bayesian computation algorithms for imaging inverse problems is challenging due to the dimensionality involved and because Bayesian imaging models are often not smooth. Current state-of-the-art methods often address…

Computation · Statistics 2023-05-04 Marcelo Pereyra , Luis A. Vargas-Mieles , Konstantinos C. Zygalakis

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support…

Machine Learning · Computer Science 2024-05-09 Yucen Lily Li , Tim G. J. Rudner , Andrew Gordon Wilson

Solving inverse problems governed by partial differential equations (PDEs) is central to science and engineering, yet remains challenging when measurements are sparse, noisy, or when the underlying coefficients are high-dimensional or…

Machine Learning · Computer Science 2025-11-06 Gang Bao , Yaohua Zang

Recent work [1] has utilized Moore-Penrose (MP) inverse in deep convolutional neural network (DCNN) learning, which achieves better generalization performance over the DCNN with a stochastic gradient descent (SGD) pipeline. However, Yang's…

Machine Learning · Computer Science 2021-01-06 Wandong Zhang , Yimin Yang , Jonathan Wu

Bayesian approaches have been successfully integrated into training deep neural networks. One popular family is stochastic gradient Markov chain Monte Carlo methods (SG-MCMC), which have gained increasing interest due to their scalability…

Numerical Analysis · Mathematics 2021-03-17 Yating Wang , Wei Deng , Guang Lin

Bayesian Neural Networks (BNNs) provide a promising framework for modeling predictive uncertainty and enhancing out-of-distribution robustness (OOD) by estimating the posterior distribution of network parameters. Stochastic Gradient Markov…

Machine Learning · Computer Science 2025-03-04 Hyunsu Kim , Giung Nam , Chulhee Yun , Hongseok Yang , Juho Lee

We study preferential Bayesian optimization (BO) where reliable feedback is limited to pairwise comparison called duels. An important challenge in preferential BO, which uses the preferential Gaussian process (GP) model to represent…

Machine Learning · Computer Science 2023-06-13 Shion Takeno , Masahiro Nomura , Masayuki Karasuyama

Monte Carlo algorithms, such as Markov chain Monte Carlo (MCMC) and Hamiltonian Monte Carlo (HMC), are routinely used for Bayesian inference in generalized linear models; however, these algorithms are prohibitively slow in massive data…

Computation · Statistics 2020-08-31 Nariankadu D. Shyamalkumar , Sanvesh Srivastava

Purpose: To demonstrate the feasibility of fast Monte Carlo (MC) based inverse biological planning for the treatment of head and neck tumors in spot-scanning proton therapy. Methods: Recently, a fast and accurate Graphics Processor Unit…

Medical Physics · Physics 2016-10-11 H. Wan Chan Tseung , J. Ma , C. R. Kreofsky , D. Ma , C. Beltran

Discrete time stochastic optimal control problems and Markov decision processes (MDPs), respectively, serve as fundamental models for problems that involve sequential decision making under uncertainty and as such constitute the theoretical…

Optimization and Control · Mathematics 2023-03-08 Christian Beck , Arnulf Jentzen , Konrad Kleinberg , Thomas Kruse

Many scientific and engineering problems require to perform Bayesian inferences in function spaces, in which the unknowns are of infinite dimension. In such problems, many standard Markov Chain Monte Carlo (MCMC) algorithms become arbitrary…

Numerical Analysis · Mathematics 2016-04-12 Zhe Feng , Jinglai Li

Markov Chain Monte Carlo (MCMC) algorithms are widely used for stochastic optimization, sampling, and integration of mathematical objective functions, in particular, in the context of Bayesian inverse problems and parameter estimation. For…

Data Analysis, Statistics and Probability · Physics 2020-10-12 Shashank Kumbhare , Amir Shahmoradi

Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the…

Machine Learning · Computer Science 2025-08-08 Georgios Makrygiorgos , Joshua Hang Sai Ip , Ali Mesbah

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

We introduce a novel Multimodal Neural Operator (MNO) architecture designed to learn solution operators for multi-parameter nonlinear boundary value problems (BVPs). Traditional neural operators primarily map either the PDE coefficients or…

Computational Engineering, Finance, and Science · Computer Science 2025-07-17 Vamshi C. Madala , Nithin Govindarajan , Shivkumar Chandrasekaran

This work demonstrates that neural operator learning provides a powerful and flexible framework for building fast, accurate emulators of moving boundary systems, enabling their integration into digital twin platforms. To this end, a Deep…

Machine Learning · Computer Science 2025-12-24 Marco A. Iglesias , Michael. E. Causon , Mikhail Y. Matveev , Andreas Endruweit , Michael . V. Tretyakov

Accurately detecting symbols transmitted over multiple-input multiple-output (MIMO) wireless channels is crucial in realizing the benefits of MIMO techniques. However, optimal MIMO detection is associated with a complexity that grows…

Signal Processing · Electrical Eng. & Systems 2024-10-28 Xingyu Zhou , Le Liang , Jing Zhang , Chao-Kai Wen , Shi Jin