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 language understanding tasks due to the smooth latent space structure. Extensive experimental results on a wide range of language tasks demonstrate the effectiveness of Optimus. It achieves new state-of-the-art on VAE language modeling benchmarks. We hope that our first pre-trained big VAE language model itself and results can help the NLP community renew the interests of deep generative models in the era of large-scale pre-training, and make these principled methods more practical.

Generative AI is one of the exciting recent advancements in artificial intelligence technology because of its ability to create something new. From turning sketches into images for accelerated product development, to improving computer-aided design of complex objects, there are many practical applications emerging across industries. This Generative AI technique pits two different neural networks against each other to produce new and original digital works based on sample inputs. Until now, developers interested in growing skills in this area haven't had an easy way to get started. With AWS DeepComposer, developers, regardless of their background in ML, can get started with Generative Adversarial Networks (GANs), learning how to train and optimize them to create original music.

The recent COVID-19 pandemic has highlighted the need for rapid therapeutic development for infectious diseases. To accelerate this process, we present a deep learning based generative modeling framework, CogMol, to design drug candidates specific to a given target protein sequence with high off-target selectivity. We augment this generative framework with an in silico screening process that accounts for toxicity, to lower the failure rate of the generated drug candidates in later stages of the drug development pipeline. We apply this framework to three relevant proteins of the SARS-CoV-2, the virus responsible for COVID-19, namely non-structural protein 9 (NSP9) replicase, main protease, and the receptor-binding domain (RBD) of the S protein. Docking to the target proteins demonstrate the potential of these generated molecules as ligands. Structural similarity analyses further imply novelty of the generated molecules with respect to the training dataset as well as possible biological association of a number of generated molecules that might be of relevance to COVID-19 therapeutic design. While the validation of these molecules is underway, we release ~ 3000 novel COVID-19 drug candidates generated using our framework. URL : http://ibm.biz/covid19-mol

A paper published by researchers at Carnegie Mellon University, San Francisco research firm OpenAI, Facebook AI Research, the University of California at Berkeley, and Shanghai Jiao Tong University describes a paradigm that scales up multi-agent reinforcement learning, where AI models learn by having agents interact within an environment such that the agent population increases in size over time. By maintaining sets of agents in each training stage and performing mix-and-match and fine-tuning steps over these sets, the coauthors say the paradigm -- Evolutionary Population Curriculum -- is able to promote agents with the best adaptability to the next stage. In computer science, evolutionary computation is the family of algorithms for global optimization inspired by biological evolution. Instead of following explicit mathematical gradients, these models generate variants, test them, and retain the top performers. They've shown promise in early work by OpenAI, Google, Uber, and others, but they're somewhat tough to prototype because there's a dearth of tools targeting evolutionary algorithms and natural evolution strategies (NES).

OpenAI Gym is a well known RL community for developing and comparing Reinforcement Learning agents. OpenAI Gym doesn't make assumptions about the structure of the agent and works out well with any numerical computation library such as TensorFlow, PyTorch. The gym also provides various types of environments. In this hands-on guide, we will develop a tic-tac-toe environment from scratch using OpenAI Gym. To start with, let's create the desired folder structure with all the required files.

Leveraging the advances in deep generative models, ODE2VAE 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. In order to account for uncertainty, we propose probabilistic latent ODE dynamics parameterized by deep Bayesian neural networks. We demonstrate our approach on motion capture, image rotation, and bouncing balls datasets. We achieve state-of-the-art performance in long term motion prediction and imputation tasks.

Deep networks are commonly used to model dynamical systems, predicting how the state of a system will evolve over time (either autonomously or in response to control inputs). Despite the predictive power of these systems, it has been difficult to make formal claims about the basic properties of the learned systems. In this paper, we propose an approach for learning dynamical systems that are guaranteed to be stable over the entire state space. The approach works by jointly learning a dynamics model and Lyapunov function that guarantees non-expansiveness of the dynamics under the learned Lyapunov function. We show that such learning systems are able to model simple dynamical systems and can be combined with additional deep generative models to learn complex dynamics, such as video textures, in a fully end-to-end fashion.

Despite their success, convolutional neural networks are computationally expensive because they must examine all image locations. Stochastic attention-based models have been shown to improve computational efficiency at test time, but they remain difficult to train because of intractable posterior inference and high variance in the stochastic gradient estimates. Borrowing techniques from the literature on training deep generative models, we present the Wake-Sleep Recurrent Attention Model, a method for training stochastic attention networks which improves posterior inference and which reduces the variability in the stochastic gradients. We show that our method can greatly speed up the training time for stochastic attention networks in the domains of image classification and caption generation. Papers published at the Neural Information Processing Systems Conference.

Deep generative models (DGMs) are effective on learning multilayered representations of complex data and performing inference of input data by exploring the generative ability. However, little work has been done on examining or empowering the discriminative ability of DGMs on making accurate predictions. This paper presents max-margin deep generative models (mmDGMs), which explore the strongly discriminative principle of max-margin learning to improve the discriminative power of DGMs, while retaining the generative capability. We develop an efficient doubly stochastic subgradient algorithm for the piecewise linear objective. Empirical results on MNIST and SVHN datasets demonstrate that (1) max-margin learning can significantly improve the prediction performance of DGMs and meanwhile retain the generative ability; and (2) mmDGMs are competitive to the state-of-the-art fully discriminative networks by employing deep convolutional neural networks (CNNs) as both recognition and generative models. Papers published at the Neural Information Processing Systems Conference.

Engineered proteins offer the potential to solve many problems in biomedicine, energy, and materials science, but creating designs that succeed is difficult in practice. A significant aspect of this challenge is the complex coupling between protein sequence and 3D structure, with the task of finding a viable design often referred to as the inverse protein folding problem. We develop relational language models for protein sequences that directly condition on a graph specification of the target structure. Our approach efficiently captures the complex dependencies in proteins by focusing on those that are long-range in sequence but local in 3D space. Our framework significantly improves in both speed and robustness over conventional and deep-learning-based methods for structure-based protein sequence design, and takes a step toward rapid and targeted biomolecular design with the aid of deep generative models.