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We present an application of the blackbox matrix-matrix multiplication (BBMM) algorithm to scale up the Gaussian Process (GP) training of molecular energies in the molecular-orbital based machine learning (MOB-ML) framework. An alternative…

Chemical Physics · Physics 2023-03-28 Jiace Sun , Lixue Cheng , Thomas F. Miller

An important linear algebra routine, GEneral Matrix Multiplication (GEMM), is a fundamental operator in deep learning. Compilers need to translate these routines into low-level code optimized for specific hardware. Compiler-level…

Machine Learning · Computer Science 2019-09-25 Huaqing Zhang , Xiaolin Cheng , Hui Zang , Dae Hoon Park

Suppose we have a weak learning algorithm $\mathcal{A}$ for a Boolean-valued problem: $\mathcal{A}$ produces hypotheses whose bias $\gamma$ is small, only slightly better than random guessing (this could, for instance, be due to…

Quantum Physics · Physics 2020-08-18 Srinivasan Arunachalam , Reevu Maity

Boosting is an extremely successful idea, allowing one to combine multiple low accuracy classifiers into a much more accurate voting classifier. In this work, we present a new and surprisingly simple Boosting algorithm that obtains a…

Machine Learning · Computer Science 2024-09-02 Mikael Møller Høgsgaard , Kasper Green Larsen , Markus Engelund Mathiasen

In classical machine learning, a set of weak classifiers can be adaptively combined to form a strong classifier for improving the overall performance, a technique called adaptive boosting (or AdaBoost). However, constructing the strong…

Quantum Physics · Physics 2019-02-05 Ximing Wang , Yuechi Ma , Min-Hsiu Hsieh , Manhong Yung

We present Gradient Boosting Reinforcement Learning (GBRL), a framework that adapts the strengths of gradient boosting trees (GBT) to reinforcement learning (RL) tasks. While neural networks (NNs) have become the de facto choice for RL,…

Machine Learning · Computer Science 2025-10-21 Benjamin Fuhrer , Chen Tessler , Gal Dalal

Training deep neural networks remains computationally intensive due to the itera2 tive nature of gradient-based optimization. We propose Gradient Flow Matching (GFM), a continuous-time modeling framework that treats neural network training…

Machine Learning · Computer Science 2025-05-27 Xiao Shou , Yanna Ding , Jianxi Gao

Boosting is one of the most significant advances in machine learning for classification and regression. In its original and computationally flexible version, boosting seeks to minimize empirically a loss function in a greedy fashion. The…

Statistics Theory · Mathematics 2007-06-13 Tong Zhang , Bin Yu

Gradient Boosting Decision Tree (GBDT) is one of the most popular machine learning models in various applications. However, in the traditional settings, all data should be simultaneously accessed in the training procedure: it does not allow…

Machine Learning · Computer Science 2025-02-04 Huawei Lin , Jun Woo Chung , Yingjie Lao , Weijie Zhao

Low energy barrier magnet (LBM) technology has recently been proposed as a candidate for accelerating algorithms based on energy minimization and probabilistic graphs because their physical characteristics have a one-to-one mapping onto the…

Emerging Technologies · Computer Science 2025-03-03 Md Golam Morshed , Samiran Ganguly , Avik W. Ghosh

Automatic machine learning performs predictive modeling with high performing machine learning tools without human interference. This is achieved by making machine learning applications parameter-free, i.e. only a dataset is provided while…

Machine Learning · Statistics 2018-07-16 Janek Thomas , Stefan Coors , Bernd Bischl

In this work we propose a differential geometric motivation for Nesterov's accelerated gradient method (AGM) for strongly-convex problems. By considering the optimization procedure as occurring on a Riemannian manifold with a natural…

Machine Learning · Computer Science 2019-11-21 Aaron Defazio

Boosting is a general method to convert a weak learner (which generates hypotheses that are just slightly better than random) into a strong learner (which generates hypotheses that are much better than random). Recently, Arunachalam and…

Quantum Physics · Physics 2020-09-18 Adam Izdebski , Ronald de Wolf

Gradient Boosting Decision Tree (GBDT) are popular machine learning algorithms with implementations such as LightGBM and in popular machine learning toolkits like Scikit-Learn. Many implementations can only produce trees in an offline…

Machine Learning · Statistics 2020-02-06 Chapman Siu

The gradient boosting machine is one of the powerful tools for solving regression problems. In order to cope with its shortcomings, an approach for constructing ensembles of gradient boosting models is proposed. The main idea behind the…

Machine Learning · Computer Science 2020-10-14 Andrei V. Konstantinov , Lev V. Utkin

Momentum methods, including heavy-ball~(HB) and Nesterov's accelerated gradient~(NAG), are widely used in training neural networks for their fast convergence. However, there is a lack of theoretical guarantees for their convergence and…

Machine Learning · Computer Science 2022-04-19 Xin Liu , Wei Tao , Zhisong Pan

Granular ball computing (GBC), as an efficient, robust, and scalable learning method, has become a popular research topic of granular computing. GBC includes two stages: granular ball generation (GBG) and multi-granularity learning based on…

Machine Learning · Computer Science 2025-04-10 Qin Xie , Qinghua Zhang , Shuyin Xia , Fan Zhao , Chengying Wu , Guoyin Wang , Weiping Ding

Momentum is a simple and widely used trick which allows gradient-based optimizers to pick up speed along low curvature directions. Its performance depends crucially on a damping coefficient $\beta$. Large $\beta$ values can potentially…

Machine Learning · Computer Science 2019-05-02 James Lucas , Shengyang Sun , Richard Zemel , Roger Grosse

Gradient boosting is a state-of-the-art prediction technique that sequentially produces a model in the form of linear combinations of simple predictors---typically decision trees---by solving an infinite-dimensional convex optimization…

Statistics Theory · Mathematics 2017-07-18 Gérard Biau , Benoît Cadre

Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced…

Computer Vision and Pattern Recognition · Computer Science 2022-10-21 Zeyue Xue , Jianming Liang , Guanglu Song , Zhuofan Zong , Liang Chen , Yu Liu , Ping Luo