Related papers: uGMM-NN: Univariate Gaussian Mixture Model Neural …

Bayesian neural networks (BNN) and deep ensembles are principled approaches to estimate the predictive uncertainty of a deep learning model. However their practicality in real-time, industrial-scale applications are limited due to their…

Deep neural networks have become a staple in solving intricate problems, proving their mettle in a wide array of applications. However, their training process is often hampered by shifting activation distributions during backpropagation,…

Three important properties of a classification machinery are: (i) the system preserves the core information of the input data; (ii) the training examples convey information about unseen data; and (iii) the system is able to treat…

Research into deep learning models for molecular property prediction has primarily focused on the development of better Graph Neural Network (GNN) architectures. Though new GNN variants continue to improve performance, their modifications…

We present a deep neural network to predict structural similarity between 2D layouts by leveraging Graph Matching Networks (GMN). Our network, coined LayoutGMN, learns the layout metric via neural graph matching, using an attention-based…

Memory units have been widely used to enrich the capabilities of deep networks on capturing long-term dependencies in reasoning and prediction tasks, but little investigation exists on deep generative models (DGMs) which are good at…

Recurrent neural networks (RNNs) were designed for dealing with time-series data and have recently been used for creating predictive models from functional magnetic resonance imaging (fMRI) data. However, gathering large fMRI datasets for…

A grand challenge in machine learning is the development of computational algorithms that match or outperform humans in perceptual inference tasks that are complicated by nuisance variation. For instance, visual object recognition involves…

This work builds upon previous efforts in online incremental learning, namely the Incremental Gaussian Mixture Network (IGMN). The IGMN is capable of learning from data streams in a single-pass by improving its model after analyzing each…

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Mixing (or prior) density estimation is an important problem in machine learning and statistics, especially in empirical Bayes $g$-modeling where accurately estimating the prior is necessary for making good posterior inferences. In this…

Based on the concepts of Wasserstein barycenter (WB) and Gromov-Wasserstein barycenter (GWB), we propose a unified mathematical framework for neural network (NN) model fusion and utilize it to reveal new insights about the linear mode…

Forecasting future events is a fundamental challenge for temporal knowledge graphs (tKG). As in real life predicting a mean function is most of the time not sufficient, but the question remains how confident can we be about our prediction?…

The paper introduces the Hidden Tree Markov Network (HTN), a neuro-probabilistic hybrid fusing the representation power of generative models for trees with the incremental and discriminative learning capabilities of neural networks. We put…

Recent works have revealed that infinitely-wide feed-forward or recurrent neural networks of any architecture correspond to Gaussian processes referred to as Neural Network Gaussian Processes (NNGPs). While these works have extended the…

Graph Neural Networks (GNNs) have emerged as a prominent research topic in the field of machine learning. Existing GNN models are commonly categorized into two types: spectral GNNs, which are designed based on polynomial graph filters, and…

Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

Deployment of machine learning models in real high-risk settings (e.g. healthcare) often depends not only on the model's accuracy but also on its fairness, robustness, and interpretability. Generalized Additive Models (GAMs) are a class of…

Graph Neural Networks (GNN) provide a powerful framework that elegantly integrates Graph theory with Machine learning for modeling and analysis of networked data. We consider the problem of quantifying the uncertainty in predictions of GNN…

We propose Deep Residual Mixture Models (DRMMs), a novel deep generative model architecture. Compared to other deep models, DRMMs allow more flexible conditional sampling: The model can be trained once with all variables, and then used for…