Related papers: Adaptive generative moment matching networks for i…

Graph Neural Networks (GNNs) face a fundamental adaptability challenge: their fixed message-passing architectures struggle with the immense diversity of real-world graphs, where optimal computational strategies vary by local structure and…

The Maximum Mean Discrepancy (MMD) is a widely used multivariate distance metric for two-sample testing. The standard MMD test statistic has an intractable null distribution typically requiring costly resampling or permutation approaches…

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…

Deep generative models (DGMs) are effective on learning multilayered representations of complex data and performing inference of input data by exploring the generative ability. However, it is relatively insufficient to empower the…

Statistical analysis of network data has attracted considerable attention in recent years, due to the rapid advancement of well-trained network models and the accessibility of large public network datasets. In this article, we propose a…

Despite recent advances, the remaining bottlenecks in deep generative models are necessity of extensive training and difficulties with generalization from small number of training examples. We develop a new generative model called…

Restricted Boltzmann Machine (RBM) is a generative stochastic energy-based model of artificial neural network for unsupervised learning. Recently, RBM is well known to be a pre-training method of Deep Learning. In addition to visible and…

Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body…

We introduce two kernels that extend the mean map, which embeds probability measures in Hilbert spaces. The generative mean map kernel (GMMK) is a smooth similarity measure between probabilistic models. The latent mean map kernel (LMMK)…

In learning theory, a standard assumption is that the data is generated from a finite mixture model. But what happens when the number of components is not known in advance? The problem of estimating the number of components, also called…

While Graph Neural Networks (GNNs) are popular in the deep learning community, they suffer from several challenges including over-smoothing, over-squashing, and gradient vanishing. Recently, a series of models have attempted to relieve…

In this paper, we explore techniques centered around periodic sampling of model weights that provide convergence improvements on gradient update methods (vanilla \acs{SGD}, Momentum, Adam) for a variety of vision problems (classification,…

We consider online learning for minimizing regret in unknown, episodic Markov decision processes (MDPs) with continuous states and actions. We develop variants of the UCRL and posterior sampling algorithms that employ nonparametric Gaussian…

Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected…

Recently proposed generative models for discrete data, such as Masked Diffusion Models (MDMs), exploit conditional independence approximations to reduce the computational cost of popular Auto-Regressive Models (ARMs), at the price of some…

Modern machine learning models are typically trained using Stochastic Gradient Descent (SGD) on massively parallel computing resources such as GPUs. Increasing mini-batch size is a simple and direct way to utilize the parallel computing…

Gradient Boosting Machine (GBM) is an extremely powerful supervised learning algorithm that is widely used in practice. GBM routinely features as a leading algorithm in machine learning competitions such as Kaggle and the KDDCup. In this…

Verifiers or reward models are often used to enhance the reasoning performance of large language models (LLMs). A common approach is the Best-of-N method, where N candidate solutions generated by the LLM are ranked by a verifier, and the…

Recently, a Gaussian Process Regression - neural network (GPRNN) hybrid machine learning method was proposed, which is based on additive-kernel GPR in redundant coordinates constructed by rules [J. Phys. Chem. A 127 (2023) 7823]. The method…

Test-time adaptation (TTA) aims to fine-tune a trained model online using unlabeled testing data to adapt to new environments or out-of-distribution data, demonstrating broad application potential in real-world scenarios. However, in this…