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Path sampling allows the study of rare events like chemical reactions, nucleation and protein folding via a Monte Carlo (MC) exploration in path space. Instead of configuration points, this method samples short molecular dynamics (MD)…

Chemical Physics · Physics 2023-01-25 Daniel T. Zhang , Enrico Riccardi , Titus S. van Erp

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than…

Machine Learning · Computer Science 2022-06-24 Patrick Echtenbruck , Martina Echtenbruck , Joost Batenburg , Thomas Bäck , Boris Naujoks , Michael Emmerich

Model-based deep reinforcement learning has achieved success in various domains that require high sample efficiencies, such as Go and robotics. However, there are some remaining issues, such as planning efficient explorations to learn more…

Machine Learning · Computer Science 2021-07-06 Yao Yao , Li Xiao , Zhicheng An , Wanpeng Zhang , Dijun Luo

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is…

Machine Learning · Computer Science 2021-01-11 Florian Wenzel , Jasper Snoek , Dustin Tran , Rodolphe Jenatton

Multivariate time series (MTS) prediction plays a key role in many fields such as finance, energy and transport, where each individual time series corresponds to the data collected from a certain data source, so-called channel. A typical…

Neural and Evolutionary Computing · Computer Science 2021-08-24 Hui Song , A. K. Qin , Flora D. Salim

Mixture-of-experts (MoE) architectures used in large language models (LLMs) achieve state-of-the-art performance across diverse tasks yet face practical challenges such as deployment complexity and low activation efficiency. Expert pruning…

Machine Learning · Computer Science 2025-12-23 Xican Yang , Yuanhe Tian , Yan Song

Averaging predictions of a deep ensemble of networks is apopular and effective method to improve predictive performance andcalibration in various benchmarks and Kaggle competitions. However, theruntime and training cost of deep ensembles…

Computer Vision and Pattern Recognition · Computer Science 2022-11-09 Timo Sämann , Ahmed Mostafa Hammam , Andrei Bursuc , Christoph Stiller , Horst-Michael Groß

Reinforcement learning is a promising paradigm for learning robot control, allowing complex control policies to be learned without requiring a dynamics model. However, even state of the art algorithms can be difficult to tune for optimum…

Machine Learning · Computer Science 2022-10-03 Renata Garcia , Wouter Caarls

The performance of deep neural networks is enhanced by ensemble methods, which average the output of several models. However, this comes at an increased cost at inference. Weight averaging methods aim at balancing the generalization of…

Machine Learning · Computer Science 2024-05-29 Louis Fournier , Adel Nabli , Masih Aminbeidokhti , Marco Pedersoli , Eugene Belilovsky , Edouard Oyallon

This paper describes the development of the Four Model Tree Ensemble (FMTE). The FMTE is a composite of machine learning models trained on experimental binding energies from the Atomic Mass Evaluation (AME) 2012. The FMTE predicts binding…

Nuclear Theory · Physics 2026-02-19 I. Bentley , J. Tedder , M. Gebran , A. Paul

Bayesian optimisation is a sample efficient method for finding a global optimum of expensive black-box objective functions. Historic datasets from related problems can be exploited to help improve performance of Bayesian optimisation by…

Machine Learning · Computer Science 2026-01-23 Natasha Trinkle , Huong Ha , Jeffrey Chan

In the context of an efficient network traffic engineering process where the network continuously measures a new traffic matrix and updates the set of paths in the network, an automated process is required to quickly and efficiently…

Networking and Internet Architecture · Computer Science 2022-12-23 Shahrooz Pouryousef , Lixin Gao , Don Towsley

In this paper we present a novel probabilistic sampling-based motion planning algorithm called the Fast Marching Tree algorithm (FMT*). The algorithm is specifically aimed at solving complex motion planning problems in high-dimensional…

Robotics · Computer Science 2015-02-09 Lucas Janson , Edward Schmerling , Ashley Clark , Marco Pavone

Recently we proposed a general, ensemble-based feature engineering wrapper (FEW) that was paired with a number of machine learning methods to solve regression problems. Here, we adapt FEW for supervised classification and perform a thorough…

Neural and Evolutionary Computing · Computer Science 2017-08-07 William La Cava , Jason H. Moore

Ensemble models refer to methods that combine a typically large number of classifiers into a compound prediction. The output of an ensemble method is the result of fitting a base-learning algorithm to a given data set, and obtaining diverse…

Machine Learning · Statistics 2019-06-10 Waldyn Martinez

In the information overloaded web, personalized recommender systems are essential tools to help users find most relevant information. The most heavily-used recommendation frameworks assume user interactions that are characterized by a…

Information Retrieval · Computer Science 2017-03-06 Fatemeh Vahedian , Robin Burke , Bamshad Mobasher

Estimation and inference for the Average Treatment Effect (ATE) is a cornerstone of causal inference and often serves as the foundation for developing procedures for more complicated settings. Although traditionally analyzed in a batch…

Machine Learning · Statistics 2025-02-10 Ojash Neopane , Aaditya Ramdas , Aarti Singh

In the realm of Federated Learning (FL), particularly within the manufacturing sector, the strategy for selecting client weights for server aggregation is pivotal for model performance. This study investigates the comparative effectiveness…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Vinit Hegiste , Tatjana Legler , Martin Ruskowski

We introduce a novel multivariate approach for solving weighted parameterized problems. In our model, given an instance of size $n$ of a minimization (maximization) problem, and a parameter $W \geq 1$, we seek a solution of weight at most…

Data Structures and Algorithms · Computer Science 2015-02-24 Hadas Shachnai , Meirav Zehavi

Weight averaging is a widely used technique for accelerating training and improving the generalization of deep neural networks (DNNs). While existing approaches like stochastic weight averaging (SWA) rely on pre-set weighting schemes, they…

Machine Learning · Computer Science 2025-02-11 Tao Li , Zhehao Huang , Yingwen Wu , Zhengbao He , Qinghua Tao , Xiaolin Huang , Chih-Jen Lin