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The optimal design of compounds through manipulating properties at the molecular level is often the key to considerable scientific advances and improved process systems performance. This paper highlights key trends, challenges, and…

生物大分子 · 定量生物学 2020-07-13 Abdulelah S. Alshehri , Rafiqul Gani , Fengqi You

Manifold-valued data naturally arises in medical imaging. In cognitive neuroscience, for instance, brain connectomes base the analysis of coactivation patterns between different brain regions on the analysis of the correlations of their…

机器学习 · 统计学 2019-11-20 Nina Miolane , Susan Holmes

Learning data representations that reflect the customers' creditworthiness can improve marketing campaigns, customer relationship management, data and process management or the credit risk assessment in retail banks. In this research, we…

机器学习 · 统计学 2019-03-18 Rogelio A Mancisidor , Michael Kampffmeyer , Kjersti Aas , Robert Jenssen

Recent advances in imaging from celestial objects in astronomy visualized via optical and radio telescopes to atoms and molecules resolved via electron and probe microscopes are generating immense volumes of imaging data, containing…

数据分析、统计与概率 · 物理学 2021-04-22 Maxim Ziatdinov , Sergei Kalinin

Multi-modal generative models represent an important family of deep models, whose goal is to facilitate representation learning on data with multiple views or modalities. However, current deep multi-modal models focus on the inference of…

计算机视觉与模式识别 · 计算机科学 2020-12-25 Mihee Lee , Vladimir Pavlovic

The Kolmogorov-Arnold Network (KAN) has recently gained attention as an alternative to traditional multi-layer perceptrons (MLPs), offering improved accuracy and interpretability by employing learnable activation functions on edges. In this…

机器学习 · 计算机科学 2025-01-03 Fangchen Yu , Ruilizhen Hu , Yidong Lin , Yuqi Ma , Zhenghao Huang , Wenye Li

Deep neural network (DNN) generally takes thousands of iterations to optimize via gradient descent and thus has a slow convergence. In addition, softmax, as a decision layer, may ignore the distribution information of the data during…

机器学习 · 计算机科学 2021-06-16 Rui Zhang , Ziheng Jiao , Hongyuan Zhang , Xuelong Li

The current focus in Autonomous Experimentation (AE) is on developing robust workflows to conduct the AE effectively. This entails the need for well-defined approaches to guide the AE process, including strategies for hyperparameter tuning…

机器学习 · 计算机科学 2024-08-27 Boris N. Slautin , Yongtao Liu , Hiroshi Funakubo , Sergei V. Kalinin

Variational Autoencoders (VAEs) are powerful generative models capable of learning compact latent representations. However, conventional VAEs often generate relatively blurry images due to their assumption of an isotropic Gaussian latent…

计算机视觉与模式识别 · 计算机科学 2025-04-21 Andrew Kiruluta

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

计算工程、金融与科学 · 计算机科学 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Manifold learning (ML) aims to seek low-dimensional embedding from high-dimensional data. The problem is challenging on real-world datasets, especially with under-sampling data, and we find that previous methods perform poorly in this case.…

机器学习 · 计算机科学 2022-07-27 Zelin Zang , Siyuan Li , Di Wu , Ge Wang , Lei Shang , Baigui Sun , Hao Li , Stan Z. Li

Unsupervised representation learning holds the promise of exploiting large amounts of unlabeled data to learn general representations. A promising technique for unsupervised learning is the framework of Variational Auto-encoders (VAEs).…

计算机视觉与模式识别 · 计算机科学 2020-04-09 Kamal Gupta , Saurabh Singh , Abhinav Shrivastava

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent…

机器学习 · 计算机科学 2024-08-13 Giovanni S. Alberti , Johannes Hertrich , Matteo Santacesaria , Silvia Sciutto

Non-linear manifold learning enables high-dimensional data analysis, but requires out-of-sample-extension methods to process new data points. In this paper, we propose a manifold learning algorithm based on deep learning to create an…

机器学习 · 统计学 2015-06-26 Gal Mishne , Uri Shaham , Alexander Cloninger , Israel Cohen

In this paper, we propose a novel supervised learning method that is called Deep Embedding Kernel (DEK). DEK combines the advantages of deep learning and kernel methods in a unified framework. More specifically, DEK is a learnable kernel…

机器学习 · 统计学 2018-04-17 Linh Le , Ying Xie

In the context of classification problems, Deep Learning (DL) approaches represent state of art. Many DL approaches are based on variations of standard multi-layer feed-forward neural networks. These are also referred to as deep networks.…

机器学习 · 计算机科学 2023-11-21 Andrea Apicella , Francesco Isgrò , Roberto Prevete

We introduce a framework that integrates variational autoencoders (VAE) with reinforcement learning (RL) to balance system performance and resource usage in multi-agent systems by dynamically adjusting network structures over time. A key…

机器学习 · 计算机科学 2024-11-01 Qiliang Chen , Babak Heydari

Given data, deep generative models, such as variational autoencoders (VAE) and generative adversarial networks (GAN), train a lower dimensional latent representation of the data space. The linear Euclidean geometry of data space pulls back…

计算机视觉与模式识别 · 计算机科学 2018-05-22 Line Kuhnel , Tom Fletcher , Sarang Joshi , Stefan Sommer

Digital twins require computationally-efficient reduced-order models (ROMs) that can accurately describe complex dynamics of physical assets. However, constructing ROMs from noisy high-dimensional data is challenging. In this work, we…

机器学习 · 计算机科学 2024-11-12 Nicolò Botteghi , Paolo Motta , Andrea Manzoni , Paolo Zunino , Mengwu Guo

Many machine learning problems involve regressing variables on a non-Euclidean manifold -- e.g. a discrete probability distribution, or the 6D pose of an object. One way to tackle these problems through gradient-based learning is to use a…

计算机视觉与模式识别 · 计算机科学 2021-10-14 Romain Brégier