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We present a method for enhanced sampling of molecular dynamics simulations using stochastic resetting. Various phenomena, ranging from crystal nucleation to protein folding, occur on timescales that are unreachable in standard simulations.…

Chemical Physics · Physics 2023-02-09 Ofir Blumer , Shlomi Reuveni , Barak Hirshberg

We consider the problem of minimizing the sum of two convex functions: one is the average of a large number of smooth component functions, and the other is a general convex function that admits a simple proximal mapping. We assume the whole…

Optimization and Control · Mathematics 2014-03-20 Lin Xiao , Tong Zhang

Analyzing high-dimensional data with manifold learning algorithms often requires searching for the nearest neighbors of all observations. This presents a computational bottleneck in statistical manifold learning when observations of…

Machine Learning · Computer Science 2022-03-11 Fan Cheng , Anastasios Panagiotelis , Rob J Hyndman

We propose a computationally efficient algorithm for gradient-based linear dimension reduction and high-dimensional regression. The algorithm initially computes a Mondrian forest and uses this estimator to identify a relevant feature…

Statistics Theory · Mathematics 2024-07-16 Ricardo Baptista , Eliza O'Reilly , Yangxinyu Xie

Stochastic-gradient sampling methods are often used to perform Bayesian inference on neural networks. It has been observed that the methods in which notions of differential geometry are included tend to have better performances, with the…

Machine Learning · Computer Science 2024-04-02 Hanlin Yu , Marcelo Hartmann , Bernardo Williams , Arto Klami

Driven by the need to solve increasingly complex optimization problems in signal processing and machine learning, there has been increasing interest in understanding the behavior of gradient-descent algorithms in non-convex environments.…

Optimization and Control · Mathematics 2019-07-04 Stefan Vlaski , Ali H. Sayed

In this paper, we propose a new accelerated stochastic first-order method called clipped-SSTM for smooth convex stochastic optimization with heavy-tailed distributed noise in stochastic gradients and derive the first high-probability…

Optimization and Control · Mathematics 2020-10-26 Eduard Gorbunov , Marina Danilova , Alexander Gasnikov

Stochastic porous structures are ubiquitous in natural phenomena and have gained considerable traction across diverse domains owing to their exceptional physical properties. The recent surge in interest in microstructures can be attributed…

Graphics · Computer Science 2023-05-17 Zhongren Wang , Lihao Tian , Xiaokang Liu , Andrei Sharf , Lin Lu

We propose and analyze a stochastic Newton algorithm for homogeneous distributed stochastic convex optimization, where each machine can calculate stochastic gradients of the same population objective, as well as stochastic Hessian-vector…

Optimization and Control · Mathematics 2021-10-08 Brian Bullins , Kumar Kshitij Patel , Ohad Shamir , Nathan Srebro , Blake Woodworth

Statistical (machine learning) tools for equation discovery require large amounts of data that are typically computer generated rather than experimentally observed. Multiscale modeling and stochastic simulations are two areas where learning…

Machine Learning · Statistics 2021-03-17 Joseph Bakarji , Daniel M. Tartakovsky

We present new distributed algorithms for constructing a Steiner Forest in the CONGEST model. Our deterministic algorithm finds, for any given constant $\epsilon>0$, a $(2+\epsilon)$-approximation in $\tilde{O}(sk+\sqrt{\min(st,n)})$…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-09 Christoph Lenzen , Boaz Patt-Shamir

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are…

Machine Learning · Computer Science 2024-03-14 S. Ilker Birbil , Ozgur Martin , Gonenc Onay , Figen Oztoprak

Stochastic Gradient Descent (SGD) has proven to be remarkably effective in optimizing deep neural networks that employ ever-larger numbers of parameters. Yet, improving the efficiency of large-scale optimization remains a vital and highly…

Machine Learning · Computer Science 2020-11-11 Frithjof Gressmann , Zach Eaton-Rosen , Carlo Luschi

Stochastic gradient descent (SGD) and its variants are widely used and highly effective optimization methods in machine learning, especially for neural network training. By using a single datum or a small subset of the data, selected…

Numerical Analysis · Mathematics 2026-01-21 Bangti Jin , Zeljko Kereta , Yuxin Xia

An important task in computational statistics and machine learning is to approximate a posterior distribution $p(x)$ with an empirical measure supported on a set of representative points $\{x_i\}_{i=1}^n$. This paper focuses on methods…

In machine learning, stochastic gradient descent (SGD) is widely deployed to train models using highly non-convex objectives with equally complex noise models. Unfortunately, SGD theory often makes restrictive assumptions that fail to…

Machine Learning · Computer Science 2022-10-11 Vivak Patel , Shushu Zhang , Bowen Tian

The study of multi-task learning has drawn great attention from the community. Despite the remarkable progress, the challenge of optimally learning different tasks simultaneously remains to be explored. Previous works attempt to modify the…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Yuanze Li , Yiwen Guo , Qizhang Li , Hongzhi Zhang , Wangmeng Zuo

Stochastic nested optimization, including stochastic compositional, min-max and bilevel optimization, is gaining popularity in many machine learning applications. While the three problems share the nested structure, existing works often…

Machine Learning · Statistics 2021-06-28 Tianyi Chen , Yuejiao Sun , Wotao Yin

Many stochastic physical systems evolve smoothly over time in the sense that the distribution of states changes regularly across time steps. The transition from current state to the next state can often be modeled as the combination of a…

Machine Learning · Computer Science 2026-05-29 Jules Berman , Tobias Blickhan , Benjamin Peherstorfer

Due to the limited number of bits in floating-point or fixed-point arithmetic, rounding is a necessary step in many computations. Although rounding methods can be tailored for different applications, round-off errors are generally…

Numerical Analysis · Mathematics 2020-06-02 Lu Xia , Martijn Anthonissen , Michiel Hochstenbach , Barry Koren