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Sampling a probability distribution with an unknown normalization constant is a fundamental problem in computational science and engineering. This task may be cast as an optimization problem over all probability measures, and an initial…

Machine Learning · Statistics 2024-09-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M. Stuart

Applications for kinetic equations such as optimal design and inverse problems often involve finding unknown parameters through gradient-based optimization algorithms. Based on the adjoint-state method, we derive two different frameworks…

Numerical Analysis · Mathematics 2021-06-02 Russel Caflisch , Denis Silantyev , Yunan Yang

Verification, validation and uncertainty quantification (VVUQ) have become a common practice in thermal-hydraulics analysis. An important step in the uncertainty analysis is the sensitivity analysis of various uncertain input parameters.…

Computational Physics · Physics 2018-05-04 Guojun Hu , Tomasz Kozlowski

We introduce an adjoint-based aerodynamic shape optimization framework that integrates a diffusion model trained on existing designs to learn a smooth manifold of aerodynamically viable shapes. This manifold is enforced as an equality…

Computational Engineering, Finance, and Science · Computer Science 2025-08-01 Long Chen , Emre Oezkaya , Jan Rottmayer , Nicolas R. Gauger , Zebang Shen , Yinyu Ye

We present a quadrotor dynamics Gaussian Process (GP) with gradient information that achieves real-time inference via state-space partitioning and approximation, and that includes aerodynamic effects using data from mid-fidelity potential…

Robotics · Computer Science 2026-02-16 Xinhuan Sang , Adam Rozman , Sheryl Grace , Roberto Tron

Bilevel optimization has been developed for many machine learning tasks with large-scale and high-dimensional data. This paper considers a constrained bilevel optimization problem, where the lower-level optimization problem is convex with…

Machine Learning · Computer Science 2023-08-22 Siyuan Xu , Minghui Zhu

The efficient solution of large-scale multiterm linear matrix equations is a challenging task in numerical linear algebra, and it is a largely open problem. We propose a new iterative scheme for symmetric and positive definite operators,…

Numerical Analysis · Mathematics 2025-05-27 Davide Palitta , Martina Iannacito , Valeria Simoncini

Evolutionary Strategies (ES) are known to be an effective black-box optimization technique for deep neural networks when the true gradients cannot be computed, such as in Reinforcement Learning. We continue a recent line of research that…

Neural and Evolutionary Computing · Computer Science 2019-10-14 Florian Meier , Asier Mujika , Marcelo Matheus Gauy , Angelika Steger

This document, as the title stated, is meant to provide a vectorized implementation of adjoint dynamics calculation for Graph Convolutional Neural Ordinary Differential Equations (GCDE). The adjoint sensitivity method is the gradient…

Machine Learning · Computer Science 2022-09-16 Jack Cai

Gradient sampling (GS) has proved to be an effective methodology for the minimization of objective functions that may be nonconvex and/or nonsmooth. The most computationally expensive component of a contemporary GS method is the need to…

Optimization and Control · Mathematics 2021-08-10 Frank E. Curtis , Minhan Li

A stochastic-gradient-based interior-point algorithm for minimizing a continuously differentiable objective function (that may be nonconvex) subject to bound constraints is presented, analyzed, and demonstrated through experimental results.…

Optimization and Control · Mathematics 2024-03-15 Frank E. Curtis , Vyacheslav Kungurtsev , Daniel P. Robinson , Qi Wang

The Projected Gradient Descent (PGD) algorithm is a widely used and efficient first-order method for solving constrained optimization problems due to its simplicity and scalability in large design spaces. Building on recent advancements in…

Optimization and Control · Mathematics 2025-06-18 Lucka Barbeau , Marc-Étienne Lamarche-Gagnon , Florin Ilinca

The local gradient points to the direction of the steepest slope in an infinitesimal neighborhood. An optimizer guided by the local gradient is often trapped in local optima when the loss landscape is multi-modal. A directional Gaussian…

Machine Learning · Computer Science 2020-11-05 Hoang Tran , Guannan Zhang

This work develops a robust and efficient framework of the adjoint gradient-based aerodynamic shape optimization (ASO) using high-order discontinuous Galerkin methods (DGMs) as the CFD solver. The adjoint-enabled gradients based on…

Numerical Analysis · Mathematics 2024-07-30 Yiwei Feng , Lili Lv , Tiegang Liu , Kun Wang , Bangcheng Ai

Gradient-free optimization methods, such as surrogate based optimization (SBO) methods, and genetic (GAs), or evolutionary (EAs) algorithms have gained popularity in the field of constrained optimization of expensive black-box functions.…

Optimization and Control · Mathematics 2021-07-22 Ahmed Abouhussein , Nusrat Islam , Yulia T. Peet

Although stochastic gradient descent (SGD) method and its variants (e.g., stochastic momentum methods, AdaGrad) are the choice of algorithms for solving non-convex problems (especially deep learning), there still remain big gaps between the…

Optimization and Control · Mathematics 2019-03-07 Zaiyi Chen , Zhuoning Yuan , Jinfeng Yi , Bowen Zhou , Enhong Chen , Tianbao Yang

A novel adjoint-based framework oriented to optimal flow control in compressible direct numerical simulations is presented. Also, a new formulation of the adjoint characteristic boundary conditions is introduced, which enhances the…

Computational Physics · Physics 2016-05-24 J. Javier Otero , Ati S. sharma , Richard D. Sandberg

A broad class of hybrid quantum-classical algorithms known as "variational algorithms" have been proposed in the context of quantum simulation, machine learning, and combinatorial optimization as a means of potentially achieving a quantum…

Quantum Physics · Physics 2021-04-09 Aram Harrow , John Napp

In a variety of problems originating in supervised, unsupervised, and reinforcement learning, the loss function is defined by an expectation over a collection of random variables, which might be part of a probabilistic model or the external…

Machine Learning · Computer Science 2016-01-06 John Schulman , Nicolas Heess , Theophane Weber , Pieter Abbeel

We study convergence rates of AdaGrad-Norm as an exemplar of adaptive stochastic gradient methods (SGD), where the step sizes change based on observed stochastic gradients, for minimizing non-convex, smooth objectives. Despite their…