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As vast databases of chemical identities become increasingly available, the challenge shifts to how we effectively explore and leverage these resources to study molecular properties. This paper presents an active learning approach for…

机器学习 · 计算机科学 2025-07-17 Ayana Ghosh , Maxim Ziatdinov , Sergei V. Kalinin

This paper focuses on the problem of Differentially Private Stochastic Optimization for (multi-layer) fully connected neural networks with a single output node. In the first part, we examine cases with no hidden nodes, specifically focusing…

机器学习 · 计算机科学 2023-10-13 Hanpu Shen , Cheng-Long Wang , Zihang Xiang , Yiming Ying , Di Wang

Stochastic volatility models, where the volatility is a stochastic process, can capture most of the essential stylized facts of implied volatility surfaces and give more realistic dynamics of the volatility smile/skew. However, they come…

计算金融 · 定量金融 2023-09-26 Abir Sridi , Paul Bilokon

Deep learning is a hierarchical inference method formed by subsequent multiple layers of learning able to more efficiently describe complex relationships. In this work, Deep Gaussian Mixture Models are introduced and discussed. A Deep…

机器学习 · 统计学 2017-11-21 Cinzia Viroli , Geoffrey J. McLachlan

Learning disentangled representations, where distinct factors of variation are captured by independent latent variables, is a central goal in machine learning. The dominant approach has been the Variational Autoencoder (VAE) framework,…

机器学习 · 计算机科学 2025-10-15 Quentin Fruytier , Akshay Malhotra , Shahab Hamidi-Rad , Aditya Sant , Aryan Mokhtari , Sujay Sanghavi

This work introduces a new unsupervised representation learning technique called Deep Convolutional Transform Learning (DCTL). By stacking convolutional transforms, our approach is able to learn a set of independent kernels at different…

机器学习 · 计算机科学 2020-10-05 Jyoti Maggu , Angshul Majumdar , Emilie Chouzenoux , Giovanni Chierchia

Decentralized federated learning (DFL) is a collaborative machine learning framework for training a model across participants without a central server or raw data exchange. DFL faces challenges due to statistical heterogeneity, as…

机器学习 · 计算机科学 2025-06-16 Gabriel Thompson , Kai Yue , Chau-Wai Wong , Huaiyu Dai

Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. Originally developed as a scalable alternative to Gaussian Processes (GPs), which are…

机器学习 · 计算机科学 2026-04-20 Daniel Jenson , Jhonathan Navott , Mengyan Zhang , Makkunda Sharma , Elizaveta Semenova , Seth Flaxman

We introduce Constr-DRKM, a deep kernel method for the unsupervised learning of disentangled data representations. We propose augmenting the original deep restricted kernel machine formulation for kernel PCA by orthogonality constraints on…

机器学习 · 计算机科学 2020-12-01 Francesco Tonin , Panagiotis Patrinos , Johan A. K. Suykens

Deep kernel map networks have shown excellent performances in various classification problems including image annotation. Their general recipe consists in aggregating several layers of singular value decompositions (SVDs) -- that map data…

计算机视觉与模式识别 · 计算机科学 2020-06-29 Mingyuan Jiu , Hichem Sahbi

We introduce a scalable method to approximate the kernel of the Linearized Laplace Approximation (LLA). For this, we use a surrogate deep neural network (DNN) that learns a compact feature representation whose inner product replicates the…

机器学习 · 计算机科学 2026-02-04 Luis A. Ortega , Simón Rodríguez-Santana , Daniel Hernández-Lobato

The success of deep learning (DL) is often achieved with large models and high complexity during both training and post-training inferences, hindering training in resource-limited settings. To alleviate these issues, this paper introduces a…

机器学习 · 计算机科学 2025-01-20 En-hui Yang , Shayan Mohajer Hamidi

Multiple Kernel Learning, or MKL, extends (kernelized) SVM by attempting to learn not only a classifier/regressor but also the best kernel for the training task, usually from a combination of existing kernel functions. Most MKL methods seek…

机器学习 · 计算机科学 2016-03-07 John Moeller , Sarathkrishna Swaminathan , Suresh Venkatasubramanian

We revisit Deep Linear Discriminant Analysis (Deep LDA) from a likelihood-based perspective. While classical LDA is a simple Gaussian model with linear decision boundaries, attaching an LDA head to a neural encoder raises the question of…

机器学习 · 统计学 2026-02-23 Maxat Tezekbayev , Arman Bolatov , Zhenisbek Assylbekov

We introduce scalable deep kernels, which combine the structural properties of deep learning architectures with the non-parametric flexibility of kernel methods. Specifically, we transform the inputs of a spectral mixture base kernel with a…

机器学习 · 计算机科学 2015-11-09 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

We review and evaluate a body of deep learning knowledge tracing (DLKT) models with openly available and widely-used data sets, and with a novel data set of students learning to program. The evaluated knowledge tracing models include…

机器学习 · 计算机科学 2022-04-06 Sami Sarsa , Juho Leinonen , Arto Hellas

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

机器学习 · 统计学 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

Contemporary deep neural networks exhibit impressive results on practical problems. These networks generalize well although their inherent capacity may extend significantly beyond the number of training examples. We analyze this behavior in…

机器学习 · 计算机科学 2015-09-03 Tamir Hazan , Tommi Jaakkola

Deep Learning (DL) , a variant of the neural network algorithms originally proposed in the 1980s, has made surprising progress in Artificial Intelligence (AI), ranging from language translation, protein folding, autonomous cars, and more…

人工智能 · 计算机科学 2023-07-24 Stephen Josè Hanson , Vivek Yadav , Catherine Hanson

We propose a novel probabilistic framework, termed LVM-GP, for uncertainty quantification in solving forward and inverse partial differential equations (PDEs) with noisy data. The core idea is to construct a stochastic mapping from the…

机器学习 · 统计学 2025-07-31 Xiaodong Feng , Ling Guo , Xiaoliang Wan , Hao Wu , Tao Zhou , Wenwen Zhou