Improving Adversarial Energy-Based Model via Diffusion Process

Generative models have shown strong generation ability while efficient likelihood estimation is less explored. Energy-based models~(EBMs) define a flexible energy function to parameterize unnormalized densities efficiently but are notorious for being difficult to train. Adversarial EBMs introduce a generator to form a minimax training game to avoid expensive MCMC sampling used in traditional EBMs, but a noticeable gap between adversarial EBMs and other strong generative models still exists. Inspired by diffusion-based models, we embedded EBMs into each denoising step to split a long-generated process into several smaller steps. Besides, we employ a symmetric Jeffrey divergence and introduce a variational posterior distribution for the generator's training to address the main challenges that exist in adversarial EBMs. Our experiments show significant improvement in generation compared to existing adversarial EBMs, while also providing a useful energy function for efficient density estimation.

Learning Energy-based Model via Dual-MCMC Teaching

This paper studies the fundamental learning problem of the energy-based model (EBM). Learning the EBM can be achieved using the maximum likelihood estimation (MLE), which typically involves the Markov Chain Monte Carlo (MCMC) sampling, such as the Langevin dynamics. However, the noise-initialized Langevin dynamics can be challenging in practice and hard to mix. This motivates the exploration of joint training with the generator model where the generator model serves as a complementary model to bypass MCMC sampling. However, such a method can be less accurate than the MCMC and result in biased EBM learning. While the generator can also serve as an initializer model for better MCMC sampling, its learning can be biased since it only matches the EBM and has no access to empirical training examples. Such biased generator learning may limit the potential of learning the EBM. To address this issue, we present a joint learning framework that interweaves the maximum likelihood learning algorithm for both the EBM and the complementary generator model. In particular, the generator model is learned by MLE to match both the EBM and the empirical data distribution, making it a more informative initializer for MCMC sampling of EBM. Learning generator with observed examples typically requires inference of the generator posterior. To ensure accurate and efficient inference, we adopt the MCMC posterior sampling and introduce a complementary inference model to initialize such latent MCMC sampling. We show that three separate models can be seamlessly integrated into our joint framework through two (dual-) MCMC teaching, enabling effective and efficient EBM learning.

Learning Hierarchical Features with Joint Latent Space Energy-Based Prior

This paper studies the fundamental problem of multi-layer generator models in learning hierarchical representations. The multi-layer generator model that consists of multiple layers of latent variables organized in a top-down architecture tends to learn multiple levels of data abstraction. However, such multi-layer latent variables are typically parameterized to be Gaussian, which can be less informative in capturing complex abstractions, resulting in limited success in hierarchical representation learning. On the other hand, the energy-based (EBM) prior is known to be expressive in capturing the data regularities, but it often lacks the hierarchical structure to capture different levels of hierarchical representations. In this paper, we propose a joint latent space EBM prior model with multi-layer latent variables for effective hierarchical representation learning. We develop a variational joint learning scheme that seamlessly integrates an inference model for efficient inference. Our experiments demonstrate that the proposed joint EBM prior is effective and expressive in capturing hierarchical representations and modelling data distribution.

Learning Joint Latent Space EBM Prior Model for Multi-layer Generator

This paper studies the fundamental problem of learning multi-layer generator models. The multi-layer generator model builds multiple layers of latent variables as a prior model on top of the generator, which benefits learning complex data distribution and hierarchical representations. However, such a prior model usually focuses on modeling inter-layer relations between latent variables by assuming non-informative (conditional) Gaussian distributions, which can be limited in model expressivity. To tackle this issue and learn more expressive prior models, we propose an energy-based model (EBM) on the joint latent space over all layers of latent variables with the multi-layer generator as its backbone. Such joint latent space EBM prior model captures the intra-layer contextual relations at each layer through layer-wise energy terms, and latent variables across different layers are jointly corrected. We develop a joint training scheme via maximum likelihood estimation (MLE), which involves Markov Chain Monte Carlo (MCMC) sampling for both prior and posterior distributions of the latent variables from different layers. To ensure efficient inference and learning, we further propose a variational training scheme where an inference model is used to amortize the costly posterior MCMC sampling. Our experiments demonstrate that the learned model can be expressive in generating high-quality images and capturing hierarchical features for better outlier detection.

Molecule Design by Latent Space Energy-Based Modeling and Gradual Distribution Shifting

Generation of molecules with desired chemical and biological properties such as high drug-likeness, high binding affinity to target proteins, is critical for drug discovery. In this paper, we propose a probabilistic generative model to capture the joint distribution of molecules and their properties. Our model assumes an energy-based model (EBM) in the latent space. Conditional on the latent vector, the molecule and its properties are modeled by a molecule generation model and a property regression model respectively. To search for molecules with desired properties, we propose a sampling with gradual distribution shifting (SGDS) algorithm, so that after learning the model initially on the training data of existing molecules and their properties, the proposed algorithm gradually shifts the model distribution towards the region supported by molecules with desired values of properties. Our experiments show that our method achieves very strong performances on various molecule design tasks.

Learning Sparse Latent Representations for Generator Model

Sparsity is a desirable attribute. It can lead to more efficient and more effective representations compared to the dense model. Meanwhile, learning sparse latent representations has been a challenging problem in the field of computer vision and machine learning due to its complexity. In this paper, we present a new unsupervised learning method to enforce sparsity on the latent space for the generator model with a gradually sparsified spike and slab distribution as our prior. Our model consists of only one top-down generator network that maps the latent variable to the observed data. Latent variables can be inferred following generator posterior direction using non-persistent gradient based method. Spike and Slab regularization in the inference step can push non-informative latent dimensions towards zero to induce sparsity. Extensive experiments show the model can preserve majority of the information from original images with sparse representations while demonstrating improved results compared to other existing methods. We observe that our model can learn disentangled semantics and increase explainability of the latent codes while boosting the robustness in the task of classification and denoising.

Adaptive Multi-stage Density Ratio Estimation for Learning Latent Space Energy-based Model

This paper studies the fundamental problem of learning energy-based model (EBM) in the latent space of the generator model. Learning such prior model typically requires running costly Markov Chain Monte Carlo (MCMC). Instead, we propose to use noise contrastive estimation (NCE) to discriminatively learn the EBM through density ratio estimation between the latent prior density and latent posterior density. However, the NCE typically fails to accurately estimate such density ratio given large gap between two densities. To effectively tackle this issue and learn more expressive prior models, we develop the adaptive multi-stage density ratio estimation which breaks the estimation into multiple stages and learn different stages of density ratio sequentially and adaptively. The latent prior model can be gradually learned using ratio estimated in previous stage so that the final latent space EBM prior can be naturally formed by product of ratios in different stages. The proposed method enables informative and much sharper prior than existing baselines, and can be trained efficiently. Our experiments demonstrate strong performances in image generation and reconstruction as well as anomaly detection.

Context-aware Health Event Prediction via Transition Functions on Dynamic Disease Graphs

With the wide application of electronic health records (EHR) in healthcare facilities, health event prediction with deep learning has gained more and more attention. A common feature of EHR data used for deep-learning-based predictions is historical diagnoses. Existing work mainly regards a diagnosis as an independent disease and does not consider clinical relations among diseases in a visit. Many machine learning approaches assume disease representations are static in different visits of a patient. However, in real practice, multiple diseases that are frequently diagnosed at the same time reflect hidden patterns that are conducive to prognosis. Moreover, the development of a disease is not static since some diseases can emerge or disappear and show various symptoms in different visits of a patient. To effectively utilize this combinational disease information and explore the dynamics of diseases, we propose a novel context-aware learning framework using transition functions on dynamic disease graphs. Specifically, we construct a global disease co-occurrence graph with multiple node properties for disease combinations. We design dynamic subgraphs for each patient's visit to leverage global and local contexts. We further define three diagnosis roles in each visit based on the variation of node properties to model disease transition processes. Experimental results on two real-world EHR datasets show that the proposed model outperforms state of the art in predicting health events.

Learning from the Tangram to Solve Mini Visual Tasks

Current pre-training methods in computer vision focus on natural images in the daily-life context. However, abstract diagrams such as icons and symbols are common and important in the real world. This work is inspired by Tangram, a game that requires replicating an abstract pattern from seven dissected shapes. By recording human experience in solving tangram puzzles, we present the Tangram dataset and show that a pre-trained neural model on the Tangram helps solve some mini visual tasks based on low-resolution vision. Extensive experiments demonstrate that our proposed method generates intelligent solutions for aesthetic tasks such as folding clothes and evaluating room layouts. The pre-trained feature extractor can facilitate the convergence of few-shot learning tasks on human handwriting and improve the accuracy in identifying icons by their contours. The Tangram dataset is available at https://github.com/yizhouzhao/Tangram.