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For uncertainty propagation of highly complex and/or nonlinear problems, one must resort to sample-based non-intrusive approaches [1]. In such cases, minimizing the number of function evaluations required to evaluate the response surface is…

Numerical Analysis · Mathematics 2017-12-04 Anindya Bhaduri , Lori Graham-Brady

Computational Fluid Dynamics (CFD) is used in the design and optimization of gas turbines and many other industrial/ scientific applications. However, the practical use is often limited by the high computational cost, and the accurate…

Fluid Dynamics · Physics 2023-11-29 Jan Hückelheim , Tadbhagya Kumar , Krishnan Raghavan , Pinaki Pal

Embedding discrete solvers as differentiable layers has given modern deep learning architectures combinatorial expressivity and discrete reasoning capabilities. The derivative of these solvers is zero or undefined, therefore a meaningful…

Machine Learning · Computer Science 2024-12-16 Subham Sekhar Sahoo , Anselm Paulus , Marin Vlastelica , Vít Musil , Volodymyr Kuleshov , Georg Martius

We establish a convergence theorem for a certain type of stochastic gradient descent, which leads to a convergent variant of the back-propagation algorithm

Optimization and Control · Mathematics 2021-04-02 Hao Wu

We propose proximal backpropagation (ProxProp) as a novel algorithm that takes implicit instead of explicit gradient steps to update the network parameters during neural network training. Our algorithm is motivated by the step size…

Machine Learning · Computer Science 2018-02-21 Thomas Frerix , Thomas Möllenhoff , Michael Moeller , Daniel Cremers

Gaussian processes are a powerful framework for quantifying uncertainty and for sequential decision-making but are limited by the requirement of solving linear systems. In general, this has a cubic cost in dataset size and is sensitive to…

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic…

Machine Learning · Computer Science 2022-02-18 Atılım Güneş Baydin , Barak A. Pearlmutter , Don Syme , Frank Wood , Philip Torr

Training convolutional neural networks at scale demands substantial memory, largely due to storing intermediate activations for backpropagation. Existing approaches -- such as checkpointing, invertible architectures, or gradient…

Machine Learning · Computer Science 2026-03-11 Anirudh Thatipelli , Jeffrey Sam , Mathias Louboutin , Ali Siahkoohi , Rongrong Wang , Felix J. Herrmann

Retrosynthesis, which aims to identify viable synthetic pathways for target molecules by decomposing them into simpler precursors, is often treated as a search problem. However, its complexity arises from multi-branched tree-structured…

Artificial Intelligence · Computer Science 2025-11-25 Chengyang Tian , Yuhang Chang , Yangpeng Zhang , Yang Liu

In many applications involving large dataset or online updating, stochastic gradient descent (SGD) provides a scalable way to compute parameter estimates and has gained increasing popularity due to its numerical convenience and memory…

Machine Learning · Statistics 2017-07-04 Yixin Fang , Jinfeng Xu , Lei Yang

As deep learning models continue to scale, the growing computational demands have amplified the need for effective coreset selection techniques. Coreset selection aims to accelerate training by identifying small, representative subsets of…

Machine Learning · Computer Science 2025-11-24 Wei-Kai Chang , Rajiv Khanna

Training directed neural networks typically requires forward-propagating data through a computation graph, followed by backpropagating error signal, to produce weight updates. All layers, or more generally, modules, of the network are…

Stochastic gradient descent (SGD) is a powerful optimization technique that is particularly useful in online learning scenarios. Its convergence analysis is relatively well understood under the assumption that the data samples are…

Machine Learning · Computer Science 2024-10-03 Ethan Che , Jing Dong , Xin T. Tong

Stochastic gradient descent (SGD) holds as a classical method to build large scale machine learning models over big data. A stochastic gradient is typically calculated from a limited number of samples (known as mini-batch), so it…

Machine Learning · Computer Science 2016-01-14 Yadong Mu , Wei Liu , Wei Fan

Backpressure-based adaptive routing algorithms where each packet is routed along a possibly different path have been extensively studied in the literature. However, such algorithms typically result in poor delay performance and involve high…

Networking and Internet Architecture · Computer Science 2010-05-28 Eleftheria Athanasopoulou , Loc Bui , Tianxiong Ji , R. Srikant , Alexander Stoylar

Convolutional neural networks often generate multiple logits and use simple techniques like addition or averaging for loss computation. But this allows gradients to be distributed equally among all paths. The proposed approach guides the…

Machine Learning · Computer Science 2021-04-26 Bodhisatwa Mandal , Swarnendu Ghosh , Teresa Gonçalves , Paulo Quaresma , Mita Nasipuri , Nibaran Das

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

We propose a combinatorial and graph-theoretic theory of dropout by modeling training as a random walk over a high-dimensional graph of binary subnetworks. Each node represents a masked version of the network, and dropout induces stochastic…

Machine Learning · Computer Science 2025-05-30 Sahil Rajesh Dhayalkar

In this paper, we present a simple yet effective padding scheme that can be used as a drop-in module for existing convolutional neural networks. We call it partial convolution based padding, with the intuition that the padded region can be…

Computer Vision and Pattern Recognition · Computer Science 2018-11-29 Guilin Liu , Kevin J. Shih , Ting-Chun Wang , Fitsum A. Reda , Karan Sapra , Zhiding Yu , Andrew Tao , Bryan Catanzaro

The back-propagation algorithm is the cornerstone of deep learning. Despite its importance, few variations of the algorithm have been attempted. This work presents an approach to discover new variations of the back-propagation equation. We…

Neural and Evolutionary Computing · Computer Science 2018-08-09 Maximilian Alber , Irwan Bello , Barret Zoph , Pieter-Jan Kindermans , Prajit Ramachandran , Quoc Le