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The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

生物大分子 · 定量生物学 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Generative models have proven to be an outstanding tool for representing high-dimensional probability distributions and generating realistic-looking images. An essential characteristic of generative models is their ability to produce…

机器学习 · 计算机科学 2019-11-26 Mohamed Elfeki , Camille Couprie , Morgane Riviere , Mohamed Elhoseiny

This paper introduces new methodology to triangulate dynamic Bayesian networks (DBNs) and dynamic graphical models (DGMs). While most methods to triangulate such networks use some form of constrained elimination scheme based on properties…

人工智能 · 计算机科学 2012-12-12 Jeff A. Bilmes , Chris Bartels

The standard practice in Generative Adversarial Networks (GANs) discards the discriminator during sampling. However, this sampling method loses valuable information learned by the discriminator regarding the data distribution. In this work,…

机器学习 · 计算机科学 2019-11-25 Yuejiang Liu , Parth Kothari , Alexandre Alahi

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

机器学习 · 计算机科学 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

We consider the problem of learning deep generative models from data. We formulate a method that generates an independent sample via a single feedforward pass through a multilayer perceptron, as in the recently proposed generative…

机器学习 · 计算机科学 2015-02-11 Yujia Li , Kevin Swersky , Richard Zemel

We connect a large class of Generative Deep Networks (GDNs) with spline operators in order to derive their properties, limitations, and new opportunities. By characterizing the latent space partition, dimension and angularity of the…

机器学习 · 统计学 2020-02-28 Randall Balestriero , Sebastien Paris , Richard Baraniuk

The deep Convolutional Neural Network (CNN) is the state-of-the-art solution for large-scale visual recognition. Following basic principles such as increasing the depth and constructing highway connections, researchers have manually…

计算机视觉与模式识别 · 计算机科学 2017-03-07 Lingxi Xie , Alan Yuille

Deep generative modeling has emerged as a powerful tool for synthesizing realistic medical images, driving advances in medical image analysis, disease diagnosis, and treatment planning. This chapter explores various deep generative models…

图像与视频处理 · 电气工程与系统科学 2024-10-24 Paul Friedrich , Yannik Frisch , Philippe C. Cattin

Deep generative models have shown promising results in generating realistic images, but it is still non-trivial to generate images with complicated structures. The main reason is that most of the current generative models fail to explore…

机器学习 · 计算机科学 2018-07-12 Kun Xu , Haoyu Liang , Jun Zhu , Hang Su , Bo Zhang

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

机器学习 · 计算机科学 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

The data sciences revolution is poised to transform the way photonic systems are simulated and designed. Photonics are in many ways an ideal substrate for machine learning: the objective of much of computational electromagnetics is the…

图像与视频处理 · 电气工程与系统科学 2021-01-11 Jiaqi Jiang , Mingkun Chen , Jonathan A. Fan

Deep kernel learning aims at designing nonlinear combinations of multiple standard elementary kernels by training deep networks. This scheme has proven to be effective, but intractable when handling large-scale datasets especially when the…

计算机视觉与模式识别 · 计算机科学 2018-05-01 Mingyuan Jiu , Hichem Sahbi

To what extent is the success of deep visualization due to the training? Could we do deep visualization using untrained, random weight networks? To address this issue, we explore new and powerful generative models for three popular deep…

计算机视觉与模式识别 · 计算机科学 2016-06-17 Kun He , Yan Wang , John Hopcroft

Recent studies have shown that deep convolutional neural networks (DCNN) are vulnerable to adversarial examples and sensitive to perceptual quality as well as the acquisition condition of images. These findings raise a big concern for the…

机器学习 · 计算机科学 2020-04-15 Yeli Feng , Yiyu Cai

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

机器学习 · 计算机科学 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli

Effective search methods are crucial for improving the performance of deep generative models at test time. In this paper, we introduce a novel test-time search method, Neural Genetic Search (NGS), which incorporates the evolutionary…

神经与进化计算 · 计算机科学 2025-06-18 Hyeonah Kim , Sanghyeok Choi , Jiwoo Son , Jinkyoo Park , Changhyun Kwon

Deep learning has excelled in image recognition tasks through neural networks inspired by the human brain. However, the necessity for large models to improve prediction accuracy introduces significant computational demands and extended…

计算机视觉与模式识别 · 计算机科学 2024-08-27 Taigo Sakai , Kazuhiro Hotta

Grasping is a complex process involving knowledge of the object, the surroundings, and of oneself. While humans are able to integrate and process all of the sensory information required for performing this task, equipping machines with this…

机器人学 · 计算机科学 2017-01-12 Matthew Veres , Medhat Moussa , Graham W. Taylor

Deep learning takes advantage of large datasets and computationally efficient training algorithms to outperform other approaches at various machine learning tasks. However, imperfections in the training phase of deep neural networks make…

密码学与安全 · 计算机科学 2015-11-25 Nicolas Papernot , Patrick McDaniel , Somesh Jha , Matt Fredrikson , Z. Berkay Celik , Ananthram Swami