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Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…
Stochastic differential equations provide a rich class of flexible generative models, capable of describing a wide range of spatio-temporal processes. A host of recent work looks to learn data-representing SDEs, using neural networks and…
There is significant need for principled uncertainty reasoning in machine learning systems as they are increasingly deployed in safety-critical domains. A new approach with uncertainty-aware neural networks (NNs), based on learning…
Bayesian flow networks (BFNs) iteratively refine the parameters, instead of the samples in diffusion models (DMs), of distributions at various noise levels through Bayesian inference. Owing to its differentiable nature, BFNs are promising…
Deep neural networks achieve superior performance for learning from independent and identically distributed (i.i.d.) data. However, their performance deteriorates significantly when handling out-of-distribution (OoD) data, where the…
Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs,…
De novo molecular design attempts to search over the chemical space for molecules with the desired property. Recently, deep learning has gained considerable attention as a promising approach to solve the problem. In this paper, we propose…
Modern deep neural networks have a large number of parameters, making them very hard to train. We propose DSD, a dense-sparse-dense training flow, for regularizing deep neural networks and achieving better optimization performance. In the…
Constructions of numerous approximate sampling algorithms are based on the well-known fact that certain Gibbs measures are stationary distributions of ergodic stochastic differential equations (SDEs) driven by the Brownian motion. However,…
We consider the stochastic generalized Nash equilibrium problem (SGNEP) with expected-value cost functions. Inspired by Yi and Pavel (Automatica, 2019), we propose a distributed GNE seeking algorithm based on the preconditioned…
Modern deep neural networks (DNNs) are typically trained with a global cross-entropy loss in a supervised end-to-end manner: neurons need to store their outgoing weights; training alternates between a forward pass (computation) and a…
In this work, we explore modeling change points in time-series data using neural stochastic differential equations (neural SDEs). We propose a novel model formulation and training procedure based on the variational autoencoder (VAE)…
In Score based Generative Modeling (SGMs), the state-of-the-art in generative modeling, stochastic reverse processes are known to perform better than their deterministic counterparts. This paper delves into the heart of this phenomenon,…
We introduce a generative learning framework to model high-dimensional parametric systems using gradient guidance and virtual observations. We consider systems described by Partial Differential Equations (PDEs) discretized with structured…
In this paper, we propose a novel method for generating a synthetic dataset obeying Gaussian distribution. Compared to the commonly used benchmark datasets with unknown distribution, the synthetic dataset has an explicit distribution, i.e.,…
Graph convolutional networks (GCNs) are a powerful tool for graph representation learning. Due to the recursive neighborhood aggregations employed by GCNs, efficient training methods suffer from a lack of theoretical guarantees or are…
Neural architecture search (NAS) for Graph neural networks (GNNs), called NAS-GNNs, has achieved significant performance over manually designed GNN architectures. However, these methods inherit issues from the conventional NAS methods, such…
Deep Generative Networks (DGNs) with probabilistic modeling of their output and latent space are currently trained via Variational Autoencoders (VAEs). In the absence of a known analytical form for the posterior and likelihood expectation,…
We consider a stochastic generalized Nash equilibrium problem (GNEP) with expected-value cost functions. Inspired by Yi and Pavel (Automatica, 2019), we propose a distributed GNE seeking algorithm by exploiting the forward-backward operator…
While deep learning has demonstrated impressive progress, it remains a daunting challenge to learn from hard samples as these samples are usually noisy and intricate. These hard samples play a crucial role in the optimal performance of deep…