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Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

计算物理 · 物理学 2021-10-05 Viktor Zaverkin , David Holzmüller , Ingo Steinwart , Johannes Kästner

The aim of this project is to develop a code to discover the optimal sigma value that maximum the F1 score and the optimal sigma value that maximizes the accuracy and to find out if they are the same. Four algorithms which can be used to…

系统与控制 · 电气工程与系统科学 2019-11-19 Alison Jenkins , Vinika Gupta , Mary Lenoir

The era of huge data necessitates highly efficient machine learning algorithms. Many common machine learning algorithms, however, rely on computationally intensive subroutines that are prohibitively expensive on large datasets. Oftentimes,…

机器学习 · 计算机科学 2023-09-26 Mo Tiwari

Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot…

机器学习 · 计算机科学 2023-05-30 Chenyu Zheng , Guoqiang Wu , Chongxuan Li

Active learning is relevant and challenging for high-dimensional regression models when the annotation of the samples is expensive. Yet most of the existing sampling methods cannot be applied to large-scale problems, consuming too much time…

机器学习 · 计算机科学 2020-01-24 Evgenii Tsymbalov , Maxim Panov , Alexander Shapeev

Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…

机器学习 · 计算机科学 2025-07-09 Eduardo Fernandes Montesuma , Fred Maurice Ngolè Mboula , Antoine Souloumiac

Random cost simulations were introduced as a method to investigate optimization problems in systems with conflicting constraints. Here I study the approach in connection with the training of a feed-forward multilayer perceptron, as used in…

高能物理 - 唯象学 · 物理学 2009-10-28 Bernd A. Berg

Model Compression has drawn much attention within the deep learning community recently. Compressing a dense neural network offers many advantages including lower computation cost, deployability to devices of limited storage and memories,…

机器学习 · 计算机科学 2024-11-04 Diptarka Saha , Zihe Liu , Feng Liang

Accelerating model convergence in resource-constrained environments is essential for fast and efficient neural network training. This work presents learn2mix, a new training strategy that adaptively adjusts class proportions within batches,…

机器学习 · 计算机科学 2025-10-24 Shyam Venkatasubramanian , Vahid Tarokh

Training deep neural networks for solving machine learning problems is one great challenge in the field, mainly due to its associated optimisation problem being highly non-convex. Recent developments have suggested that many training…

机器学习 · 计算机科学 2017-11-23 Hao Shen

A Bayesian network is a widely used probabilistic graphical model with applications in knowledge discovery and prediction. Learning a Bayesian network (BN) from data can be cast as an optimization problem using the well-known…

人工智能 · 计算机科学 2018-11-14 Zhenyu A. Liao , Charupriya Sharma , James Cussens , Peter van Beek

Variational representations of divergences and distances between high-dimensional probability distributions offer significant theoretical insights and practical advantages in numerous research areas. Recently, they have gained popularity in…

机器学习 · 计算机科学 2022-03-25 Jeremiah Birrell , Markos A. Katsoulakis , Yannis Pantazis

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for…

机器学习 · 计算机科学 2020-11-12 Sebastian Raschka

A distribution shift between the training and test data can severely harm performance of machine learning models. Importance weighting addresses this issue by assigning different weights to data points during training. We argue that…

机器学习 · 统计学 2025-11-17 Floris Holstege , Bram Wouters , Noud van Giersbergen , Cees Diks

We present a new method to approximate posterior probabilities of Bayesian Network using Deep Neural Network. Experiment results on several public Bayesian Network datasets shows that Deep Neural Network is capable of learning joint…

机器学习 · 计算机科学 2018-01-12 Jie Jia , Honggang Zhou , Yunchun Li

Variable selection for Gaussian process models is often done using automatic relevance determination, which uses the inverse length-scale parameter of each input variable as a proxy for variable relevance. This implicitly determined…

统计方法学 · 统计学 2019-04-24 Topi Paananen , Juho Piironen , Michael Riis Andersen , Aki Vehtari

The Gaussian graphical model is a widely used tool for learning gene regulatory networks with high-dimensional gene expression data. Most existing methods for Gaussian graphical models assume that the data are homogeneous, i.e., all samples…

统计方法学 · 统计学 2018-05-08 Bochao Jia , Faming Liang

We propose a hierarchical training algorithm for standard feed-forward neural networks that adaptively extends the network architecture as soon as the optimization reaches a stationary point. By solving small (low-dimensional) optimization…

数值分析 · 数学 2024-10-31 Michael Feischl , Alexander Rieder , Fabian Zehetgruber

Artificial neural networks can acquire many aspects of human knowledge from data, making them promising as models of human learning. But what those networks can learn depends upon their inductive biases -- the factors other than the data…

机器学习 · 计算机科学 2025-02-28 Gianluca Bencomo , Max Gupta , Ioana Marinescu , R. Thomas McCoy , Thomas L. Griffiths

We study the dynamic portfolio selection of an investor who uses deep learning methods to forecast stock market excess returns. In a two-asset allocation problem, deep neural networks -- both feedforward and long short-term memory (LSTM)…

综合金融 · 定量金融 2026-02-16 Mykola Babiak , Jozef Barunik