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 permutation invariant latent-variable generative model relying on graph embeddings to encode structure. Using tools from the random graph literature, our model is highly scalable to large graphs with likelihood evaluation and generation in $O(|V | + |E|)$.
University of Rochester（罗切斯特大学）；KAUST（阿卜杜拉国王科技大学）；Iowa State University（爱荷华州立大学）；University of Michigan（密歇根大学）；PlusAI（普拉斯人工智能公司）；Kwai Inc.（快手公司）
Graph node embedding aims at learning a vector representation for all nodes given a graph. It is a central problem in many machine learning tasks (e.g., node classification, recommendation, community detection). The key problem in graph node embedding lies in how to define the dependence to neighbors. Existing approaches specify (either explicitly or implicitly) certain dependencies on neighbors, which may lead to loss of subtle but important structural information within the graph and other dependencies among neighbors. This intrigues us to ask the question: can we design a model to give the …
The problem of permutation-invariant learning over set representations is particularly relevant in the field of multi-agent systems -- a few potential applications include unsupervised training of aggregation functions in graph neural networks (GNNs), neural cellular automata on graphs, and prediction of scenes with multiple objects. Yet existing approaches to set encoding and decoding tasks present a host of issues, including non-permutation-invariance, fixed-length outputs, reliance on iterative methods, non-deterministic outputs, computationally expensive loss functions, and poor reconstruc…
Neural Networks and Deep Learning Lab（神经网络与深度学习实验室）；Moscow Institute of Physics and Technology（莫斯科物理技术学院）
Conventional prior for Variational Auto-Encoder (VAE) is a Gaussian distribution. Recent works demonstrated that choice of prior distribution affects learning capacity of VAE models. We propose a general technique (embedding-reparameterization procedure, or ER) for introducing arbitrary manifold-valued variables in VAE model. We compare our technique with a conventional VAE on a toy benchmark problem. This is work in progress.
Harbin Institute of Technology（哈尔滨工业大学）；Beijing University of Civil Engineering and Architecture（北京建筑大学）
Being one of the most popular generative framework, variational autoencoders(VAE) are known to suffer from a phenomenon termed posterior collapse, i.e. the latent variational distributions collapse to the prior, especially when a strong decoder network is used. In this work, we analyze the latent representation of collapsed VAEs, and proposed a novel model, neighbor embedding VAE(NE-VAE), which explicitly constraints the encoder to encode inputs close in the input space to be close in the latent space. We observed that for VAE variants that report similar ELBO, KL divergence or even mutual inf…
Fujitsu Limited（富士通有限公司）；The University of Tokyo（东京大学）；RIKEN（理化学研究所）
Variational autoencoder (VAE) estimates the posterior parameters (mean and variance) of latent variables corresponding to each input data. While it is used for many tasks, the transparency of the model is still an underlying issue. This paper provides a quantitative understanding of VAE property through the differential geometric and information-theoretic interpretations of VAE. According to the Rate-distortion theory, the optimal transform coding is achieved by using an orthonormal transform with PCA basis where the transform space is isometric to the input. Considering the analogy of transfo…
Tsinghua University（清华大学）；Beijing University of Posts and Telecommunications（北京邮电大学）
Deep speaker embedding has achieved state-of-the-art performance in speaker recognition. A potential problem of these embedded vectors (called `x-vectors') are not Gaussian, causing performance degradation with the famous PLDA back-end scoring. In this paper, we propose a regularization approach based on Variational Auto-Encoder (VAE). This model transforms x-vectors to a latent space where mapped latent codes are more Gaussian, hence more suitable for PLDA scoring.
After observing a snapshot of a social network, a link prediction (LP) algorithm identifies node pairs between which new edges will likely materialize in future. Most LP algorithms estimate a score for currently non-neighboring node pairs, and rank them by this score. Recent LP systems compute this score by comparing dense, low dimensional vector representations of nodes. Graph neural networks (GNNs), in particular graph convolutional networks (GCNs), are popular examples. For two nodes to be meaningfully compared, their embeddings should be indifferent to reordering of their neighbors. GNNs t…
Semi-supervised learning is sought for leveraging the unlabelled data when labelled data is difficult or expensive to acquire. Deep generative models (e.g., Variational Autoencoder (VAE)) and semisupervised Generative Adversarial Networks (GANs) have recently shown promising performance in semi-supervised classification for the excellent discriminative representing ability. However, the latent code learned by the traditional VAE is not exclusive (repeatable) for a specific input sample, which prevents it from excellent classification performance. In particular, the learned latent representatio…
Imperial College London（帝国理工学院）；University College London（伦敦大学学院）；City University of London（伦敦城市大学）
We propose a new model for relational VAE semi-supervision capable of balancing disentanglement and low complexity modelling of relations with different symbolic properties. We compare the relative benefits of relation-decoder complexity and latent space structure on both inductive and transductive transfer learning. Our results depict a complex picture where enforcing structure on semi-supervised representations can greatly improve zero-shot transductive transfer, but may be less favourable or even impact negatively the capacity for inductive transfer.
University of Toronto（多伦多大学）；Vector Institute（向量学院）；Google Research（谷歌研究院）
We introduce Exemplar VAEs, a family of generative models that bridge the gap between parametric and non-parametric, exemplar based generative models. Exemplar VAE is a variant of VAE with a non-parametric prior in the latent space based on a Parzen window estimator. To sample from it, one first draws a random exemplar from a training set, then stochastically transforms that exemplar into a latent code and a new observation. We propose retrieval augmented training (RAT) as a way to speed up Exemplar VAE training by using approximate nearest neighbor search in the latent space to define a lower…
In today's day and age when almost every industry has an online presence with users interacting in online marketplaces, personalized recommendations have become quite important. Traditionally, the problem of collaborative filtering has been tackled using Matrix Factorization which is linear in nature. We extend the work of [11] on using variational autoencoders (VAEs) for collaborative filtering with implicit feedback by proposing a hybrid, multi-modal approach. Our approach combines movie embeddings (learned from a sibling VAE network) with user ratings from the Movielens 20M dataset and appl…
Center for Speech and Language Technologies, Tsinghua University（清华大学语音与语言技术中心）；China University of Mining & Technology, Beijing（中国矿业大学（北京））
Deep speaker embedding has achieved satisfactory performance in speaker verification. By enforcing the neural model to discriminate the speakers in the training set, deep speaker embedding (called `x-vectors`) can be derived from the hidden layers. Despite its good performance, the present embedding model is highly domain sensitive, which means that it often works well in domains whose acoustic condition matches that of the training data (in-domain), but degrades in mismatched domains (out-of-domain). In this paper, we present a domain adaptation approach based on Variational Auto-Encoder (VAE…
Natural language often exhibits inherent hierarchical structure ingrained with complex syntax and semantics. However, most state-of-the-art deep generative models learn embeddings only in Euclidean vector space, without accounting for this structural property of language. In this paper, we investigate text generation in a hyperbolic latent space to learn continuous hierarchical representations. An Adversarial Poincare Variational Autoencoder (APo-VAE) is presented, where both the prior and variational posterior of latent variables are defined over a Poincare ball via wrapped normal distributio…
Deep metric learning has been demonstrated to be highly effective in learning semantic representation and encoding information that can be used to measure data similarity, by relying on the embedding learned from metric learning. At the same time, variational autoencoder (VAE) has widely been used to approximate inference and proved to have a good performance for directed probabilistic models. However, for traditional VAE, the data label or feature information are intractable. Similarly, traditional representation learning approaches fail to represent many salient aspects of the data. In this …
We present Ordinary Differential Equation Variational Auto-Encoder (ODE$^2$VAE), a latent second order ODE model for high-dimensional sequential data. Leveraging the advances in deep generative models, ODE$^2$VAE can simultaneously learn the embedding of high dimensional trajectories and infer arbitrarily complex continuous-time latent dynamics. Our model explicitly decomposes the latent space into momentum and position components and solves a second order ODE system, which is in contrast to recurrent neural network (RNN) based time series models and recently proposed black-box ODE techniques.…
Variational Autoencoders (VAEs) have been shown to be remarkably effective in recovering model latent spaces for several computer vision tasks. However, currently trained VAEs, for a number of reasons, seem to fall short in learning invariant and equivariant clusters in latent space. Our work focuses on providing solutions to this problem and presents an approach to disentangle equivariance feature maps in a Lie group manifold by enforcing deep, group-invariant learning. Simultaneously implementing a novel separation of semantic and equivariant variables of the latent space representation, we …
University of California（加利福尼亚大学）；Tencent AI Lab（腾讯AI实验室）
Variational auto-encoder (VAE) is an effective neural network architecture to disentangle a speech utterance into speaker identity and linguistic content latent embeddings, then generate an utterance for a target speaker from that of a source speaker. This is possible by concatenating the identity embedding of the target speaker and the content embedding of the source speaker uttering a desired sentence. In this work, we propose to improve VAE models with self-attention and structural regularization (RGSM). Specifically, we found a suitable location of VAE's decoder to add a self-attention lay…
The Johns Hopkins University Applied Physics Laboratory（约翰斯·霍普金斯大学应用物理实验室）
The use of deep neural network (DNN) autoencoders (AEs) has recently exploded due to their wide applicability. However, the embedding representation produced by a standard DNN AE that is trained to minimize only the reconstruction error does not always reveal more subtle patterns in the data. Sometimes, the autoencoder needs further direction in the form of one or more additional loss functions. In this paper, we use an autoencoder enhanced with triplet loss to promote the clustering of vectors that are related through permutations of constituent subvectors. With this approach, we can create a…
Deezer Research & Development（Deezer研发部）；LIX, École Polytechnique（巴黎综合理工学院计算机科学实验室）；AUEB（雅典经济与商业大学）
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. However, these models focus on undirected graphs and therefore ignore the potential direction of the link, which is limiting for numerous real-life applications. In this paper, we extend the graph AE and VAE frameworks to address link prediction in directed graphs. We present a…
Max-Planck-Institute for Intelligent Systems（马克斯·普朗克智能系统研究所）
The Variational Autoencoder (VAE) is a powerful architecture capable of representation learning and generative modeling. When it comes to learning interpretable (disentangled) representations, VAE and its variants show unparalleled performance. However, the reasons for this are unclear, since a very particular alignment of the latent embedding is needed but the design of the VAE does not encourage it in any explicit way. We address this matter and offer the following explanation: the diagonal approximation in the encoder together with the inherent stochasticity force local orthogonality of the…
Université Pierre et Marie Curie（皮埃尔和玛丽·居里大学）；Sony CSL（索尼计算机科学研究所）；École Polytechnique（巴黎综合理工学院）
VAEs (Variational AutoEncoders) have proved to be powerful in the context of density modeling and have been used in a variety of contexts for creative purposes. In many settings, the data we model possesses continuous attributes that we would like to take into account at generation time. We propose in this paper GLSR-VAE, a Geodesic Latent Space Regularization for the Variational AutoEncoder architecture and its generalizations which allows a fine control on the embedding of the data into the latent space. When augmenting the VAE loss with this regularization, changes in the learned latent spa…
Exemplar-based methods rely on informative data points or prototypes to guide the optimization of learning algorithms. Such data facilitate interpretable model design and prediction. Of particular interest is the utility of exemplars in learning unsupervised deep representations. In this paper, we leverage hubs, which emerge as frequent neighbors in high-dimensional spaces, as exemplars to regularize a variational autoencoder and to learn a discriminative embedding for unsupervised down-stream tasks. We propose an unsupervised, data-driven regularization of the latent space with a mixture of h…
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 evaluation (such as requiring parallel encoders and decoders or non-trivial graph matching). Here, we repurpose a simple graph generator to enable efficient decoding and generation of molecular graphs.
Graph autoencoders (AE) and variational autoencoders (VAE) are powerful node embedding methods, but suffer from scalability issues. In this paper, we introduce FastGAE, a general framework to scale graph AE and VAE to large graphs with millions of nodes and edges. Our strategy, based on an effective stochastic subgraph decoding scheme, significantly speeds up the training of graph AE and VAE while preserving or even improving performances. We demonstrate the effectiveness of FastGAE on various real-world graphs, outperforming the few existing approaches to scale graph AE and VAE by a wide marg…
École normale supérieure（巴黎高等师范学院）；Collège de France（法兰西公学院）；PSL Research University（PSL研究大学）；Paris, France（75005巴黎，法国）
Generative Adversarial Nets (GANs) and Variational Auto-Encoders (VAEs) provide impressive image generations from Gaussian white noise, but the underlying mathematics are not well understood. We compute deep convolutional network generators by inverting a fixed embedding operator. Therefore, they do not require to be optimized with a discriminator or an encoder. The embedding is Lipschitz continuous to deformations so that generators transform linear interpolations between input white noise vectors into deformations between output images. This embedding is computed with a wavelet Scattering tr…
In this paper, we consider the problem of learning functions over sets, i.e., functions that are invariant to permutations of input set items. Recent approaches of pooling individual element embeddings can necessitate extremely large embedding sizes for challenging functions. We address this challenge by allowing standard neural networks like LSTMs to succinctly capture the function over the set. However, to ensure invariance with respect to permutations of set elements, we propose a novel architecture called SPAN that simultaneously learns the function as well as adversarial or worst-case per…
The Variational Autoencoder (VAE) has proven to be an effective model for producing semantically meaningful latent representations for natural data. However, it has thus far seen limited application to sequential data, and, as we demonstrate, existing recurrent VAE models have difficulty modeling sequences with long-term structure. To address this issue, we propose the use of a hierarchical decoder, which first outputs embeddings for subsequences of the input and then uses these embeddings to generate each subsequence independently. This structure encourages the model to utilize its latent cod…
University of Maryland, College Park（马里兰大学帕克分校）；Verisk Analytics（韦里斯克分析公司）
This paper presents primarily two Euclidean embeddings of the quotient space generated by matrices that are identified modulo arbitrary row permutations. The original application is in deep learning on graphs where the learning task is invariant to node relabeling. Two embedding schemes are introduced, one based on sorting and the other based on algebras of multivariate polynomials. While both embeddings exhibit a computational complexity exponential in problem size, the sorting based embedding is globally bi-Lipschitz and admits a low dimensional target space. Additionally, an almost everywhe…
Learning multi-modal generative models with permutation-invariant encoders and tighter variational objectives
Nanyang Technological University（南洋理工大学）；School of Social Sciences（社会科学学院）；School of Mechanical and Aerospace Engineering（机械与宇航工程学院）；School of Physical and Mathematical Sciences（物理与数学科学学院）
Hierarchical and Permutation-Invariant Feature Transformation Learning via Policy-Guided Embedding Search
University of Kansas（堪萨斯大学）；Southwest University of Finance and Economics（西南财经大学）；University of Wisconsin–Madison（威斯康星大学麦迪逊分校）；University of Auckland（奥克兰大学）；Arizona State University（亚利桑那州立大学）；Northeast Normal University（东北师范大学）
Deezer Research and Development（Deezer研发部）；LIX, École Polytechnique（巴黎综合理工学院LIX实验室）；AUEB（雅典经济与商业大学）
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 representations of nodes. In this paper, we propose to replace the GCN encoder by a simple linear model w.r.t. the adjacency matrix of the graph. For the two aforementioned tasks, we empirically show that this approach consistently reaches competitive performances w.r.t. GCN-based mode…
Deezer Research & Development（Deezer研发部）；École Polytechnique（巴黎综合理工学院）
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 approach significantly improves scalability and training speed while preserving performance. We evaluate and discuss our method on several variants of existing graph AE and VAE, providing the first application of these models to large graphs with up to millions of nodes and edge…
Deezer Research（Deezer研究院）；École Polytechnique（巴黎综合理工学院）；Athens University of Economics and Business（雅典经济与商业大学）
Over the last few years, graph autoencoders (AE) and variational autoencoders (VAE) 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 multi-layer graph convolutional networks (GCN) encoders to learn vector space representations of nodes. In this paper, we show that GCN encoders are actually unnecessarily complex for many applications. We propose to replace them by significantly simpler and more interpretable linear models w.r.t. the direct neighborhood (one…
When trained effectively, the Variational Autoencoder (VAE) can be both a powerful generative model and an effective representation learning framework for natural language. In this paper, we propose the first large-scale language VAE model, Optimus. A universal latent embedding space for sentences is first pre-trained on large text corpus, and then fine-tuned for various language generation and understanding tasks. Compared with GPT-2, Optimus enables guided language generation from an abstract level using the latent vectors. Compared with BERT, Optimus can generalize better on low-resource la…
Institute of Automation, Chinese Academy of Sciences（中国科学院自动化研究所）；CAS Center for Excellence in Brain Science and Intelligence Technology（中国科学院脑科学与智能技术卓越创新中心）；University of Chinese Academy of Sciences（中国科学院大学）
Deep clustering (DC) and utterance-level permutation invariant training (uPIT) have been demonstrated promising for speaker-independent speech separation. DC is usually formulated as two-step processes: embedding learning and embedding clustering, which results in complex separation pipelines and a huge obstacle in directly optimizing the actual separation objectives. As for uPIT, it only minimizes the chosen permutation with the lowest mean square error, doesn't discriminate it with other permutations. In this paper, we propose a discriminative learning method for speaker-independent speech s…
Concept learning deals with learning description logic concepts from a background knowledge and input examples. The goal is to learn a concept that covers all positive examples, while not covering any negative examples. This non-trivial task is often formulated as a search problem within an infinite quasi-ordered concept space. Although state-of-the-art models have been successfully applied to tackle this problem, their large-scale applications have been severely hindered due to their excessive exploration incurring impractical runtimes. Here, we propose a remedy for this limitation. We reform…
An increasing number of machine learning tasks deal with learning representations from set-structured data. Solutions to these problems involve the composition of permutation-equivariant modules (e.g., self-attention, or individual processing via feed-forward neural networks) and permutation-invariant modules (e.g., global average pooling, or pooling by multi-head attention). In this paper, we propose a geometrically-interpretable framework for learning representations from set-structured data, which is rooted in the optimal mass transportation problem. In particular, we treat elements of a se…
Vector quantised variational autoencoders (VQ-VAE) are characterised by three main components: 1) encoding visual data, 2) assigning $k$ different vectors in the so-called embedding space, and 3) decoding the learnt features. While images are often represented in RGB colour space, the specific organisation of colours in other spaces also offer interesting features, e.g. CIE L*a*b* decorrelates chromaticity into opponent axes. In this article, we propose colour space conversion, a simple quasi-unsupervised task, to enforce a network learning structured representations. To this end, we trained s…
We propose a visualization technique that utilizes neural network embeddings and a generative network to reconstruct original data. This method allows for independent manipulation of individual image embeddings through its non-parametric structure, providing more flexibility than traditional autoencoder approaches. We have evaluated the effectiveness of this technique in data visualization and compared it to t-SNE and VAE methods. Furthermore, we have demonstrated the scalability of our method through visualizations on the ImageNet dataset. Our technique has potential applications in human-in-…
Academia Sinica（中央研究院）；National Cheng Kung University（台湾成功大学）；Taiwan AI Labs（台湾人工智能实验室）
This paper proposes a model that generates a drum track in the audio domain to play along to a user-provided drum-free recording. Specifically, using paired data of drumless tracks and the corresponding human-made drum tracks, we train a Transformer model to improvise the drum part of an unseen drumless recording. We combine two approaches to encode the input audio. First, we train a vector-quantized variational autoencoder (VQ-VAE) to represent the input audio with discrete codes, which can then be readily used in a Transformer. Second, using an audio-domain beat tracking model, we compute be…
ChronoVAE-HOPE: Beyond Attention -- A Next-Generation VAE Foundation Model for Specialized Time Series Classification
Department of Computer Science and Artificial Intelligence（计算机科学与人工智能系）；DiCITS；iMUDS；DaSCI；University of Granada（格拉纳达大学）；Advanced Medical Imaging Group（先进医学成像组）；Instituto de Investigación Biosanitaria de Granada（格拉纳达生物医学研究 institute）；Department of Software Engineering（软件工程系）；Department of Rural Engineering（农村工程系）；University of Córdoba（科尔多瓦大学）
