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Many developments in science and engineering depend on tackling complex optimizations on large scales. The challenge motivates intense search for specific computing hardware that takes advantage from quantum features, nonlinear dynamics, or…

Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions,…

Machine Learning · Statistics 2025-12-11 Jingru Huang , Haijie Xu , Manrui Jiang , Chen Zhang

We consider the problem of minimizing a high-dimensional objective function, which may include a regularization term, using (possibly noisy) evaluations of the function. Such optimization is also called derivative-free, zeroth-order, or…

Optimization and Control · Mathematics 2023-03-20 HanQin Cai , Daniel Mckenzie , Wotao Yin , Zhenliang Zhang

Multi-objective optimization (MOO) has received growing attention in applications that require learning under multiple criteria. However, the existing MOO formulations do not explicitly account for distributional shifts in the data. We…

Machine Learning · Computer Science 2026-05-08 Yufeng Yang , Fangning Zhuo , Ziyi Chen , Heng Huang , Yi Zhou

The complexity in large-scale optimization can lie in both handling the objective function and handling the constraint set. In this respect, stochastic Frank-Wolfe algorithms occupy a unique position as they alleviate both computational…

Optimization and Control · Mathematics 2021-02-16 Cyrille W. Combettes , Christoph Spiegel , Sebastian Pokutta

Black-box algorithms are designed to optimize functions without relying on their underlying analytical structure or gradient information, making them essential when gradients are inaccessible or difficult to compute. Traditional methods for…

Machine Learning · Computer Science 2026-01-21 Yedidya Kfir , Elad Sarafian , Sarit Kraus , Yoram Louzoun

Back propagation (BP) is the default solution for gradient computation in neural network training. However, implementing BP-based training on various edge devices such as FPGA, microcontrollers (MCUs), and analog computing platforms face…

Machine Learning · Computer Science 2024-11-12 Yequan Zhao , Hai Li , Ian Young , Zheng Zhang

Black-box optimization (BBO) involves functions that are unknown, inexact and/or expensive-to-evaluate. Existing BBO algorithms face several challenges, including high computational cost from extensive evaluations, difficulty in handling…

Optimization and Control · Mathematics 2025-09-26 Zixuan Zhang , Xiaowei Song , Jiaming Li , Yujiao Zeng , Yaling Nie , Min Zhu , Dongyun Lu , Yibo Zhang , Xin Xiao , Jie Li

We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…

Chemical Physics · Physics 2025-08-22 Indranil Mal , Milan Kočí , Paolo Nicolini , Prokop Hapala

Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that…

Machine Learning · Computer Science 2021-07-15 Brandon Trabucco , Aviral Kumar , Xinyang Geng , Sergey Levine

In this paper, we present a Model-Based Reinforcement Learning (MBRL) algorithm named \emph{Monte Carlo Probabilistic Inference for Learning COntrol} (MC-PILCO). The algorithm relies on Gaussian Processes (GPs) to model the system dynamics…

Machine Learning · Computer Science 2022-11-29 Fabio Amadio , Alberto Dalla Libera , Riccardo Antonello , Daniel Nikovski , Ruggero Carli , Diego Romeres

Recent years have seen impressive progress in visual recognition on many benchmarks, however, generalization to the real-world in out-of-distribution setting remains a significant challenge. A state-of-the-art method for robust visual…

Computer Vision and Pattern Recognition · Computer Science 2021-11-29 Sebastian Cygert , Andrzej Czyzewski

We present a practical approach to solving distance-based optimization problems using optical computing hardware. The objective is to minimize an energy function defined as the weighted sum of squared differences between measured distances…

Optics · Physics 2025-07-16 Guangyao Li , Richard Zhipeng Wang , Natalia G. Berloff

Large neural networks excel at prediction tasks, but their application to design problems, such as protein engineering or materials discovery, requires solving offline model-based optimization (MBO) problems. While predictive models may not…

Machine Learning · Computer Science 2026-03-20 Jakub Grudzien Kuba , Pieter Abbeel , Sergey Levine

Min-max optimization is emerging as a key framework for analyzing problems of robustness to strategically and adversarially generated data. We propose a random reshuffling-based gradient free Optimistic Gradient Descent-Ascent algorithm for…

Optimization and Control · Mathematics 2022-02-22 Chinmay Maheshwari , Chih-Yuan Chiu , Eric Mazumdar , S. Shankar Sastry , Lillian J. Ratliff

In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process…

Machine Learning · Computer Science 2024-06-07 Fabio Valerio Massoli , Tim Bakker , Thomas Hehn , Tribhuvanesh Orekondy , Arash Behboodi

Recent advances in optical flow estimation have prioritized accuracy at the cost of growing GPU memory consumption, particularly for high-resolution (FullHD) inputs. We introduce MEMFOF, a memory-efficient multi-frame optical flow method…

Computer Vision and Pattern Recognition · Computer Science 2025-07-01 Vladislav Bargatin , Egor Chistov , Alexander Yakovenko , Dmitriy Vatolin

We introduce a GPU-accelerated Monte Carlo framework for nonconvex, free-final-time trajectory optimization problems. This framework makes use of the prox-linear method, which belongs to the larger family of sequential convex programming…

Optimization and Control · Mathematics 2024-04-30 Govind M. Chari , Abhinav G. Kamath , Purnanand Elango , Behçet Açıkmeşe

Accurate diagnosis of glaucoma is challenging, as early-stage changes are subtle and often lack clear structural or appearance cues. Most existing approaches rely on a single modality, such as fundus or optical coherence tomography (OCT),…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Zhiwei Wang , Yuxing Li , Meilu Zhu , Defeng He , Edmund Y. Lam

This work considers stochastic optimization problems in which the objective function values can only be computed by a blackbox corrupted by some random noise following an unknown distribution. The proposed method is based on sequential…

Optimization and Control · Mathematics 2023-08-15 Charles Audet , Jean Bigeon , Romain Couderc , Michael Kokkolaras
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