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Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

机器学习 · 计算机科学 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

This study proposed an exhaustive stable/reproducible rule-mining algorithm combined to a classifier to generate both accurate and interpretable models. Our method first extracts rules (i.e., a conjunction of conditions about the values of…

机器学习 · 计算机科学 2017-07-03 Margaux Luck , Nicolas Pallet , Cecilia Damon

We address the problem of learning an unknown smooth function and its derivatives from noisy pointwise evaluations under the supremum norm. While classical nonparametric regression provides a strong theoretical foundation, traditional…

机器学习 · 计算机科学 2026-03-10 Davide Maran , Marcello Restelli

While deep neural networks are highly performant and successful in a wide range of real-world problems, estimating their predictive uncertainty remains a challenging task. To address this challenge, we propose and implement a loss function…

机器学习 · 计算机科学 2022-10-14 Tony Tohme , Kevin Vanslette , Kamal Youcef-Toumi

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised…

计算机视觉与模式识别 · 计算机科学 2023-12-19 Deen Dayal Mohan , Bhavin Jawade , Srirangaraj Setlur , Venu Govindaraj

In statistics, it is common to encounter multi-modal and non-smooth likelihood (or objective function) maximization problems, where the parameters have known upper and lower bounds. This paper proposes a novel derivative-free global…

最优化与控制 · 数学 2023-09-14 Priyam Das

In lifelong learning, tasks (or classes) to be learned arrive sequentially over time in arbitrary order. During training, knowledge from previous tasks can be captured and transferred to subsequent ones to improve sample efficiency. We…

机器学习 · 计算机科学 2022-03-02 Xinyuan Cao , Weiyang Liu , Santosh S. Vempala

Deep neural networks have been shown to perform well in many classical machine learning problems, especially in image classification tasks. However, researchers have found that neural networks can be easily fooled, and they are surprisingly…

计算机视觉与模式识别 · 计算机科学 2019-05-24 Huaxia Wang , Chun-Nam Yu

Maximum margin binary classification is one of the most fundamental algorithms in machine learning, yet the role of featurization maps and the high-dimensional asymptotics of the misclassification error for non-Gaussian features are still…

统计理论 · 数学 2023-10-03 Andrea Montanari , Feng Ruan , Basil Saeed , Youngtak Sohn

We propose a new approach to train the Generative Adversarial Nets (GANs) with a mixture of generators to overcome the mode collapsing problem. The main intuition is to employ multiple generators, instead of using a single one as in the…

机器学习 · 计算机科学 2017-10-31 Quan Hoang , Tu Dinh Nguyen , Trung Le , Dinh Phung

The missing data issue often complicates the task of estimating generalized linear models (GLMs). We describe why the pseudo-marginal Metropolis-Hastings algorithm, used in this setting, is an effective strategy for parameter estimation.…

统计方法学 · 统计学 2019-07-23 Taylor R. Brown , Timothy L. McMurry , Alexander Langevin

When neural networks are used to solve differential equations, they usually produce solutions in the form of black-box functions that are not directly mathematically interpretable. We introduce a method for generating symbolic expressions…

机器学习 · 计算机科学 2020-11-05 Maysum Panju , Ali Ghodsi

Simulation-Grounded Neural Networks (SGNNs) are predictive models trained entirely on synthetic data from mechanistic simulations. They have achieved state-of-the-art performance in domains where real-world labels are limited or unobserved,…

机器学习 · 计算机科学 2025-10-03 Carson Dudley , Marisa Eisenberg

Networks are a powerful abstraction with applicability to a variety of scientific fields. Models explaining their morphology and growth processes permit a wide range of phenomena to be more systematically analysed and understood. At the…

神经与进化计算 · 计算机科学 2020-04-27 Telmo Menezes , Camille Roth

We propose Hellinger-type loss functions for training Generative Adversarial Networks (GANs), motivated by the boundedness, symmetry, and robustness properties of the Hellinger distance. We define an adversarial objective based on this…

机器学习 · 统计学 2025-12-16 Giovanni Saraceno , Anand N. Vidyashankar , Claudio Agostinelli

Learning representations of neural network weights given a model zoo is an emerging and challenging area with many potential applications from model inspection, to neural architecture search or knowledge distillation. Recently, an…

机器学习 · 计算机科学 2022-09-30 Konstantin Schürholt , Boris Knyazev , Xavier Giró-i-Nieto , Damian Borth

Reversibility in artificial neural networks allows us to retrieve the input given an output. We present feature alignment, a method for approximating reversibility in arbitrary neural networks. We train a network by minimizing the distance…

机器学习 · 计算机科学 2023-01-31 Tiago de Souza Farias , Jonas Maziero

We present a technique to synthesize and analyze volume-rendered images using generative models. We use the Generative Adversarial Network (GAN) framework to compute a model from a large collection of volume renderings, conditioned on (1)…

图形学 · 计算机科学 2019-07-18 Matthew Berger , Jixian Li , Joshua A. Levine

In this article we consider macrocanonical models for texture synthesis. In these models samples are generated given an input texture image and a set of features which should be matched in expectation. It is known that if the images are…

计算机视觉与模式识别 · 计算机科学 2019-04-16 De Bortoli Valentin , Desolneux Agnès , Galerne Bruno , Leclaire Arthur

Bayesian inference and kernel methods are well established in machine learning. The neural network Gaussian process in particular provides a concept to investigate neural networks in the limit of infinitely wide hidden layers by using…

无序系统与神经网络 · 物理学 2023-11-10 Javed Lindner , David Dahmen , Michael Krämer , Moritz Helias