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Current algorithms for large-scale industrial optimization problems typically face a trade-off: they either require exponential time to reach optimal solutions, or employ problem-specific heuristics. To overcome these limitations, we…

Quantum Physics · Physics 2025-10-16 Matteo Vandelli , Francesco Ferrari , Daniele Dragoni

We show how to efficiently compute the derivative (when it exists) of the solution map of log-log convex programs (LLCPs). These are nonconvex, nonsmooth optimization problems with positive variables that become convex when the variables,…

Optimization and Control · Mathematics 2020-06-02 Akshay Agrawal , Stephen Boyd

We study the problem of directly optimizing arbitrary non-differentiable task evaluation metrics such as misclassification rate and recall. Our method, named MetricOpt, operates in a black-box setting where the computational details of the…

Machine Learning · Computer Science 2021-04-22 Chen Huang , Shuangfei Zhai , Pengsheng Guo , Josh Susskind

The physics-based Doyle-Fuller-Newman (DFN) model, widely adopted for its precise electrochemical modeling, stands out among various simulation models of lithium-ion batteries (LIBs). Although the DFN model is powerful in forward predictive…

Computational Engineering, Finance, and Science · Computer Science 2025-04-30 Weipeng Xu , Kaiqi Yang , Yuzhi Zhang , Shichao Sun , Sheng Mao , Tianju Xue

A common goal throughout science and engineering is to solve optimization problems constrained by computational models. However, in many cases a high-fidelity numerical emulation of systems cannot be optimized due to code complexity and…

Numerical Analysis · Mathematics 2023-05-31 Joseph Hart , Bart van Bloemen Waanders

In this technical report, we compare multiple reformulation techniques and solvers that can be used with the Julia package BilevelJuMP. We focus on the special case of Hyperparameter Tuning for Support Vector Regression. We describe a…

Optimization and Control · Mathematics 2023-05-30 Joaquim Dias Garcia , Guilherme Bodin , Alexandre Street

Robot design optimization, imitation learning and system identification share a common problem which requires optimization over robot or task parameters at the same time as optimizing the robot motion. To solve these problems, we can use…

Robotics · Computer Science 2022-09-05 Traiko Dinev , Carlos Mastalli , Vladimir Ivan , Steve Tonneau , Sethu Vijayakumar

Julia is a mature general-purpose programming language, with a large ecosystem of libraries and more than 12000 third-party packages, which specifically targets scientific computing. As a language, Julia is as dynamic, interactive, and…

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise…

Artificial Intelligence · Computer Science 2024-02-16 Ali AhmadiTeshnizi , Wenzhi Gao , Madeleine Udell

We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…

Computational Physics · Physics 2020-12-04 Samuel S. Schoenholz , Ekin D. Cubuk

The Distributed Constraint Optimization Problem (DCOP) formulation is a powerful tool to model multi-agent coordination problems that are distributed by nature. The formulation is suitable for problems where variables are discrete and…

Multiagent Systems · Computer Science 2020-05-28 Khoi D. Hoang , William Yeoh , Makoto Yokoo , Zinovi Rabinovich

Computing derivatives of noisy measurement data is ubiquitous in the physical, engineering, and biological sciences, and it is often a critical step in developing dynamic models or designing control. Unfortunately, the mathematical…

Dynamical Systems · Mathematics 2020-09-09 Floris van Breugel , J. Nathan Kutz , Bingni W. Brunton

Underground duct banks carrying power cables dissipate heat to the surrounding soil. The amount of heat dissipated determines the current rating of cables, which in turn affects the sizing of the cables. The dissipation of heat through the…

Geophysics · Physics 2023-12-27 Anusha Vajapeyajula , Krishna Kumar

We present a new approach for modeling avoidance constraints in 2D environments, in which waypoints are assigned to obstacle-free polyhedral regions. Constraints of this form are often formulated as mixed-integer programming (MIP) problems…

Optimization and Control · Mathematics 2024-11-20 Raul Garcia , Illya V. Hicks , Joey Huchette

Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed the issue of unknown objectives, limited research has…

We introduce JAX FDM, a differentiable solver to design mechanically efficient shapes for 3D structures conditioned on target architectural, fabrication and structural properties. Examples of such structures are domes, cable nets and…

Computational Engineering, Finance, and Science · Computer Science 2023-10-31 Rafael Pastrana , Deniz Oktay , Ryan P. Adams , Sigrid Adriaenssens

Semi-empirical quantum chemistry has recently seen a renaissance with applications in high-throughput virtual screening and machine learning. The simplest semi-empirical model still in widespread use in chemistry is H\"uckel's…

Chemical Physics · Physics 2024-11-08 R. A. Vargas-Hernández , K. Jorner , R. Pollice , A. Aspuru-Guzik

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use…

Machine Learning · Statistics 2018-02-21 Arthur Mensch , Mathieu Blondel

The rapid evolution of Large Language Models (LLMs) has markedly expanded their application across diverse domains, transforming how complex problems are approached and solved. Initially conceived to predict subsequent words in texts, these…

Artificial Intelligence · Computer Science 2024-07-11 Sumedh Rasal , E. J. Hauer

This thesis proposes an advanced, generic and high-level code rewriting and analysis system in the Julia programming language, providing applied equality saturation in the presence of multiple dispatch and metaprogramming. We show how our…

Programming Languages · Computer Science 2022-02-08 Alessandro Cheli
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