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We discuss the role of automatic differentiation tools in optimization software. We emphasize issues that are important to large-scale optimization and that have proved useful in the installation of nonlinear solvers in the NEOS Server. Our…

数学软件 · 计算机科学 2007-05-23 Jorge J. Moré

In scientific computation, it is often necessary to calculate higher-order derivatives of a function. Currently, two primary methods for higher-order automatic differentiation exist: symbolic differentiation and algorithmic automatic…

计算物理 · 物理学 2025-06-03 He Zhang

Nonlinear (deterministic and stochastic) optimal control problems are often solved on embedded devices using first-order numerical optimisation methods. The gradient computation accounts for a significant part of the computation cost per…

最优化与控制 · 数学 2023-06-21 Jie Lin , Ruairi Moran , Pantelis Sopasakis

Coarse-grained (CG) molecular dynamics enables simulations of atomic systems such as biomolecules at timescales inaccessible to all-atom (AA) methods, but existing CG neural potentials trained via force matching capture only the gradient of…

机器学习 · 计算机科学 2026-05-14 Sanya Murdeshwar , Sanjit Shashi , Kevin Bachelor , William Noid , Ashwin Lokapally , Razvan Marinescu

We present two new algebraic multilevel hierarchical matrix algorithms to perform fast matrix-vector product (MVP) for $N$-body problems in $d$ dimensions, namely efficient $\mathcal{H}^2_{*}$ (fully nested algorithm, i.e., $\mathcal{H}^2$…

数值分析 · 数学 2026-04-13 Ritesh Khan , Sivaram Ambikasaran

This work presents the efficient, matrix-free finite-element library hyper.deal for solving partial differential equations in two to six dimensions with high-order discontinuous Galerkin methods. It builds upon the low-dimensional…

数学软件 · 计算机科学 2020-02-20 Peter Munch , Katharina Kormann , Martin Kronbichler

The Hadamard product of two tensors in the tensor-train (TT) format is a fundamental operation across various applications, such as TT-based function multiplication for nonlinear differential equations or convolutions. However, conventional…

量子物理 · 物理学 2026-02-23 Zhaonan Meng , Yuehaw Khoo , Jiajia Li , E. Miles Stoudenmire

Financial markets are notoriously complex environments, presenting vast amounts of noisy, yet potentially informative data. We consider the problem of forecasting financial time series from a wide range of information sources using online…

统计金融 · 定量金融 2018-07-12 Sid Ghoshal , Stephen Roberts

Wide applications of differentiable two-player sequential games (e.g., image generation by GANs) have raised much interest and attention of researchers to study efficient and fast algorithms. Most of the existing algorithms are developed…

最优化与控制 · 数学 2022-05-24 Yihang Gao , Huafeng Liu , Michael K. Ng , Mingjie Zhou

Nowadays, the paradigm of parallel computing is changing. CUDA is now a popular programming model for general purpose computations on GPUs and a great number of applications were ported to CUDA obtaining speedups of orders of magnitude…

分布式、并行与集群计算 · 计算机科学 2018-02-09 Bogdan Oancea , Tudorel Andrei

With the aim of efficiently simulating three-dimensional multiphase turbulent flows with a phase-field method, we propose a new discretization scheme for the biharmonic term (the 4th-order derivative term) of the Cahn-Hilliard equation.…

流体动力学 · 物理学 2022-05-24 Hao-Ran Liu , Chong Shen Ng , Kai Leong Chong , Detlef Lohse , Roberto Verzicco

Training deep neural network is a high dimensional and a highly non-convex optimization problem. Stochastic gradient descent (SGD) algorithm and it's variations are the current state-of-the-art solvers for this task. However, due to…

机器学习 · 计算机科学 2017-01-17 Xi He , Dheevatsa Mudigere , Mikhail Smelyanskiy , Martin Takáč

Differentiable programming allows for derivatives of functions implemented via computer code to be calculated automatically. These derivatives are calculated using automatic differentiation (AD). This thesis explores two applications of…

等离子体物理 · 物理学 2024-10-16 Nick McGreivy

With growing deployment of Internet of Things (IoT) and machine learning (ML) applications, which need to leverage computation on edge and cloud resources, it is important to develop algorithms and tools to place these distributed…

分布式、并行与集群计算 · 计算机科学 2021-12-30 Xiangchen Zhao , Diyi Hu , Bhaskar Krishnamachari

Dataset deduplication is widely recognized as a crucial preprocessing step that enhances data quality and improves the performance of large language models. A commonly used method for this process is the MinHash Locality-Sensitive Hashing…

计算与语言 · 计算机科学 2026-05-19 Youngjun Son , Chaewon Kim , Jaejin Lee

We present ATC, a C++ library for advanced Tucker-based lossy compression of dense multidimensional numerical data in a shared-memory parallel setting, based on the sequentially truncated higher-order singular value decomposition (ST-HOSVD)…

数学软件 · 计算机科学 2024-07-02 Wouter Baert , Nick Vannieuwenhoven

Serving generative inference of the large language model is a crucial component of contemporary AI applications. This paper focuses on deploying such services in a heterogeneous and cross-datacenter setting to mitigate the substantial…

分布式、并行与集群计算 · 计算机科学 2024-05-28 Youhe Jiang , Ran Yan , Xiaozhe Yao , Yang Zhou , Beidi Chen , Binhang Yuan

Due to the effectiveness of second-order algorithms in solving classical optimization problems, designing second-order optimizers to train deep neural networks (DNNs) has attracted much research interest in recent years. However, because of…

机器学习 · 计算机科学 2024-03-06 Ying Sun , Hongwei Yong , Lei Zhang

The Hierarchical Directed Capacitated Arc Routing Problem (HDCARP) is an extension of the Capacitated Arc Routing Problem (CARP), where the arcs of a graph are divided into classes based on their priority. The traversal of these classes is…

机器学习 · 计算机科学 2025-01-03 Van Quang Nguyen , Quoc Chuong Nguyen , Thu Huong Dang , Truong-Son Hy

Generative Adversarial Networks (GAN) are cutting-edge algorithms for generating new data samples based on the learned data distribution. However, its performance comes at a significant cost in terms of computation and memory requirements.…

机器学习 · 计算机科学 2022-01-25 Azzam Alhussain , Mingjie Lin