FastGAE scales graph AE and VAE to large graphs with millions of nodes.
arXiv research
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Variational Autoencoders (VAEs) are powerful in data representation inference, but it cannot learn relations between features with its vanilla form and common variations. The ability to capture relations within data can provide the much needed inductive bias necessary for building more robust Machine Learning algorithm…
Semi-implicit graph variational auto-encoder (SIG-VAE) is proposed to expand the flexibility of variational graph auto-encoders (VGAE) to model graph data. SIG-VAE employs a hierarchical variational framework to enable neighboring node sharing for better generative modeling of graph dependency structure, together with …
Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods. In particular, graph AE and VAE were successfully leveraged to tackle the challenging link prediction problem, aiming at figuring out whether some pairs of nodes from a graph are connected by unobserved edges…
Simpler linear models outperform complex GCN encoders for graph tasks.
Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods, with promising performances on challenging tasks such as link prediction and node clustering. Graph AE, VAE and most of their extensions rely on graph convolutional networks (GCN) to learn vector space repres…
In this paper, we present a general framework to scale graph autoencoders (AE) and graph variational autoencoders (VAE). This framework leverages graph degeneracy concepts to train models only from a dense subset of nodes instead of using the entire graph. Together with a simple yet effective propagation mechanism, our…
A graph VAE framework optimizes neural architectures in a continuous space.
We improve a graph generation model to accurately recover Barabási-Albert graph parameters.
EVGAE improves VGAE's latent representation learning by mitigating over-pruning.
Variational autoencoders (VAEs) defined over SMILES string and graph-based representations of molecules promise to improve the optimization of molecular properties, thereby revolutionizing the pharmaceuticals and materials industries. However, these VAEs are hindered by the non-unique nature of SMILES strings and the c…
Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on DAGs, including neural networks and Bayesian networks. In this paper, we study dee…
We present RL-VAE, a graph-to-graph variational autoencoder that uses reinforcement learning to decode molecular graphs from latent embeddings. Methods have been described previously for graph-to-graph autoencoding, but these approaches require sophisticated decoders that increase the complexity of training and evaluat…
While a wide range of interpretable generative procedures for graphs exist, matching observed graph topologies with such procedures and choices for its parameters remains an open problem. Devising generative models that closely reproduce real-world graphs requires domain knowledge and time-consuming simulation. While e…
Personalization of cardiac models involves the optimization of organ tissue properties that vary spatially over the non-Euclidean geometry model of the heart. To represent the high-dimensional (HD) unknown of tissue properties, most existing works rely on a low-dimensional (LD) partitioning of the geometrical model. Wh…
Molecular optimization aims to discover novel molecules with desirable properties. Two fundamental challenges are: (i) it is not trivial to generate valid molecules in a controllable way due to hard chemical constraints such as the valency conditions, and (ii) it is often costly to evaluate a property of a novel molecu…
Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it loses its permutation invariance for larger graphs. Instead, we present a permuta…
ES-VAE models skeletal pose trajectories by removing nuisance factors.
We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning interpretable latent representations for undirected graphs. We demonstrate this model us…
Variational Auto-Encoders (VAEs) are capable of learning latent representations for high dimensional data. However, due to the i.i.d. assumption, VAEs only optimize the singleton variational distributions and fail to account for the correlations between data points, which might be crucial for learning latent representa…
We propose to learn a hierarchical prior in the context of variational autoencoders to avoid the over-regularisation resulting from a standard normal prior distribution. To incentivise an informative latent representation of the data, we formulate the learning problem as a constrained optimisation problem by extending …
Dynamical-VAE learns causal dynamics from POMDPs using future information.
Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In this work, we propose Graphite, an algorithmic framework for unsupervised learn…
Proposes TNCM-VAE for generating causal financial time series.
CausalVAE learns causal relationships in VAE models for better data disentanglement.
In this paper, we integrate VAEs and flow-based generative models successfully and get f-VAEs. Compared with VAEs, f-VAEs generate more vivid images, solved the blurred-image problem of VAEs. Compared with flow-based models such as Glow, f-VAE is more lightweight and converges faster, achieving the same performance und…
This research explores a modified VAE model to learn disentangled representations for object recognition.
This work tackles posterior collapse in conditional and hierarchical VAEs.
BS-VAE separates decoder variance and beta to improve VAE performance.
A tutorial on VAEs explaining its derivation and applications.
Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals. However, the mathematical properties of these methods are unclear, and training good generative models is di…
A new model designs molecular latent vectors for drug discovery.
New system for i-vector speaker recognition based on variational autoencoder (VAE) is investigated. VAE is a promising approach for developing accurate deep nonlinear generative models of complex data. Experiments show that VAE provides speaker embedding and can be effectively trained in an unsupervised manner. LLR est…
Unified approach to DP problems using Gumbel distribution and variational Bayesian inference.
Proposes a model combining graph networks and variational Bayes for graph data.
The paper provides convergence guarantees for VAEs using SGD and Adam.
VAEs help in learning latent variables for cryo-EM applications.
PRI-VAE learns disentangled representations by optimizing principle-of-relevant-information.
CVAE learns disentangled and coupled representations without prior knowledge.
Variational autoencoders (VAEs) have ushered in a new era of unsupervised learning methods for complex distributions. Although these techniques are elegant in their approach, they are typically not useful for representation learning. In this work, we propose a simple yet powerful class of VAEs that simultaneously resul…
NE-VAE prevents posterior collapse in VAEs by embedding neighbors in latent space.
The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE wit…
q-VAE extracts disentangled latent spaces for robot control and dynamic systems.
Single training run learns optimal VAE parameters for various β values.
VAEs analyzed using harmonic analysis, showing how variance controls frequency content and robustness.
SKR-VAE improves VAEs for ICA with reduced computational cost.
A framework uses deep generative modeling to design metamaterials efficiently.
VAE improves anomaly detection for jet tagging at the LHC.