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Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs…

Machine Learning · Computer Science 2022-05-17 Dmitrii Gavrilev , Nurlybek Amangeldiuly , Sergei Ivanov , Evgeny Burnaev

In this paper, we question the rationale behind propagating large numbers of parameters through a distributed system during federated learning. We start by examining the rank characteristics of the subspace spanned by gradients across…

Machine Learning · Computer Science 2022-02-02 Sheikh Shams Azam , Seyyedali Hosseinalipour , Qiang Qiu , Christopher Brinton

Gradient boosting from the field of statistical learning is widely known as a powerful framework for estimation and selection of predictor effects in various regression models by adapting concepts from classification theory. Current…

Methodology · Statistics 2020-11-03 Colin Griesbach , Benjamin Säfken , Elisabeth Waldmann

Gradient Boosting Decision Trees (GBDTs) dominate tabular machine learning, with modern implementations like XGBoost, LightGBM, and CatBoost being based on Newton boosting: a second-order descent step in the space of decision trees. Despite…

Machine Learning · Statistics 2026-05-04 Nikita Zozoulenko , Daniel Falkowski , Thomas Cass , Lukas Gonon

Synchronous stochastic gradient descent (SGD) is the most common method used for distributed training of deep learning models. In this algorithm, each worker shares its local gradients with others and updates the parameters using the…

Machine Learning · Computer Science 2020-09-22 Negar Foroutan Eghlidi , Martin Jaggi

Modern large scale machine learning applications require stochastic optimization algorithms to be implemented on distributed computational architectures. A key bottleneck is the communication overhead for exchanging information such as…

Machine Learning · Computer Science 2017-10-31 Jianqiao Wangni , Jialei Wang , Ji Liu , Tong Zhang

Distributed stochastic gradient descent (SGD) algorithms are widely deployed in training large-scale deep learning models, while the communication overhead among workers becomes the new system bottleneck. Recently proposed gradient…

Machine Learning · Computer Science 2019-11-21 Shaohuai Shi , Xiaowen Chu , Ka Chun Cheung , Simon See

Deep learning has led to tremendous advancements in the field of Artificial Intelligence. One caveat however is the substantial amount of compute needed to train these deep learning models. Training a benchmark dataset like ImageNet on a…

Machine Learning · Computer Science 2018-10-30 Karanbir Chahal , Manraj Singh Grover , Kuntal Dey

Neural networks dominate the modern machine learning landscape, but their training and success still suffer from sensitivity to empirical choices of hyperparameters such as model architecture, loss function, and optimisation algorithm. In…

The graph convolutional network (GCN) is a go-to solution for machine learning on graphs, but its training is notoriously difficult to scale both in terms of graph size and the number of model parameters. Although some work has explored…

Machine Learning · Computer Science 2022-03-15 Cameron R. Wolfe , Jingkang Yang , Arindam Chowdhury , Chen Dun , Artun Bayer , Santiago Segarra , Anastasios Kyrillidis

Uplift modeling comprises a collection of machine learning techniques designed for managers to predict the incremental impact of specific actions on customer outcomes. However, accurately estimating this incremental impact poses significant…

Machine Learning · Computer Science 2025-02-10 Junjie Gao , Xiangyu Zheng , DongDong Wang , Zhixiang Huang , Bangqi Zheng , Kai Yang

Due to the substantial computational cost, training state-of-the-art deep neural networks for large-scale datasets often requires distributed training using multiple computation workers. However, by nature, workers need to frequently…

Machine Learning · Computer Science 2018-02-21 Yusuke Tsuzuku , Hiroto Imachi , Takuya Akiba

Decision trees are one of the most useful and popular methods in the machine learning toolbox. In this paper, we consider the problem of learning optimal decision trees, a combinatorial optimization problem that is challenging to solve at…

Machine Learning · Computer Science 2022-07-01 Rahul Mazumder , Xiang Meng , Haoyue Wang

Traditional clustering algorithms often focus on the most fine-grained information and achieve clustering by calculating the distance between each pair of data points or implementing other calculations based on points. This way is not…

Machine Learning · Computer Science 2024-10-21 Shuyin Xia , Bolun Shi , Yifan Wang , Jiang Xie , Guoyin Wang , Xinbo Gao

Scaling regression to large datasets is a common problem in many application areas. We propose a two step approach to scaling regression to large datasets. Using a regression tree (CART) to segment the large dataset constitutes the first…

Machine Learning · Statistics 2017-07-26 Rajiv Sambasivan , Sourish Das

Machine learning algorithms are now being extensively used in our daily lives, spanning across diverse industries as well as academia. In the field of high energy physics (HEP), the most common and challenging task is separating a rare…

High Energy Physics - Phenomenology · Physics 2025-07-23 Arghya Choudhury , Arpita Mondal , Subhadeep Sarkar

We consider a distributed learning problem in which the computation is carried out on a system consisting of a master node and multiple worker nodes. In such systems, the existence of slow-running machines called stragglers will cause a…

Information Theory · Computer Science 2019-01-16 Shunsuke Horii , Takahiro Yoshida , Manabu Kobayashi , Toshiyasu Matsushima

Many of the recent advances in the field of artificial intelligence have been fueled by the highly successful backpropagation of error (BP) algorithm, which efficiently solves the credit assignment problem in artificial neural networks.…

Machine Learning · Computer Science 2023-01-25 Sander Dalm , Nasir Ahmad , Luca Ambrogioni , Marcel van Gerven

In recent years, distributed optimization is proven to be an effective approach to accelerate training of large scale machine learning models such as deep neural networks. With the increasing computation power of GPUs, the bottleneck of…

Machine Learning · Computer Science 2021-09-14 Xiangyi Chen , Xiaoyun Li , Ping Li

Click-Through Rate (CTR) prediction is a crucial component in the online advertising industry. In order to produce a personalized CTR prediction, an industry-level CTR prediction model commonly takes a high-dimensional (e.g., 100 or 1000…

Information Retrieval · Computer Science 2022-01-17 Weijie Zhao , Xuewu Jiao , Mingqing Hu , Xiaoyun Li , Xiangyu Zhang , Ping Li
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