Related papers: Bifurcated Generative Flow Networks

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Micro-bubbles and bubbly flows are widely observed and applied in chemical engineering, medicine, involves deformation, rupture, and collision of bubbles, phase mixture, etc. We study bubble dynamics by setting up two numerical simulation…

The rise of cost involved with drug discovery and current speed of which they are discover, underscore the need for more efficient structure-based drug design (SBDD) methods. We employ Generative Flow Networks (GFlowNets), to effectively…

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

A critically important, ubiquitous, and yet poorly understood ingredient in modern deep networks (DNs) is batch normalization (BN), which centers and normalizes the feature maps. To date, only limited progress has been made understanding…

This paper introduces General Proximal Flow Networks (GPFNs), a generalization of Bayesian Flow Networks that broadens the class of admissible belief-update operators. In Bayesian Flow Networks, each update step is a Bayesian posterior…

Many interesting datasets ubiquitous in machine learning and deep learning can be described via graphs. As the scale and complexity of graph-structured datasets increase, such as in expansive social networks, protein folding, chemical…

Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise…

Graph neural networks (GNNs), which propagate the node features through the edges and learn how to transform the aggregated features under label supervision, have achieved great success in supervised feature extraction for both node-level…

As a promising distributed learning paradigm, federated learning (FL) involves training deep neural network (DNN) models at the network edge while protecting the privacy of the edge clients. To train a large-scale DNN model, batch…

We propose a novel randomized algorithm for constructing binary neural networks with tunable accuracy. This approach is motivated by hyperdimensional computing (HDC), which is a brain-inspired paradigm that leverages high-dimensional vector…

Set-based learning is an essential component of modern deep learning and network science. Graph Neural Networks (GNNs) and their edge-free counterparts Deepsets have proven remarkably useful on ragged and topologically challenging datasets.…

This paper proposes a novel approach using Graph Neural Networks (GNNs) to solve the AC Power Flow problem in power grids. AC OPF is essential for minimizing generation costs while meeting the operational constraints of the grid.…

Accurate real-time traffic flow prediction can be leveraged to relieve traffic congestion and associated negative impacts. The existing centralized deep learning methodologies have demonstrated high prediction accuracy, but suffer from…

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

Graph Neural Networks (GNNs) have emerged as powerful tools for supervised machine learning over graph-structured data, while sampling-based node representation learning is widely utilized in unsupervised learning. However, scalability…

Normalizing Flows (NFs) have been established as a principled framework for generative modeling. Standard NFs consist of a forward process and a reverse process: the forward process maps data to noise, while the reverse process generates…

We consider the problem of sampling from a discrete and structured distribution as a sequential decision problem, where the objective is to find a stochastic policy such that objects are sampled at the end of this sequential process…

Achieving both accuracy and diverse reasoning remains challenging for Large Language Models (LLMs) in complex domains like mathematics. A key bottleneck is evaluating intermediate reasoning steps to guide generation without costly human…

Normalizing flows transform a latent distribution through an invertible neural network for a flexible and pleasingly simple approach to generative modelling, while preserving an exact likelihood. We propose FlowGMM, an end-to-end approach…