Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be formulated as a combinatorial problem, and it takes many hours of human experts to construct, and to evaluate new data. Unsupervised learning methods such as Generative Adversarial Networks (GANs) can be efficiently used to produce new data. Cross-domain Generative Adversarial Networks were reported to achieve exciting results in image processing applications. However, in the domain of materials science, there is a need to synthesize data with higher order complexity compared to observed samples, and the state-of-the-art cross-domain GANs can not be adapted directly. In this contribution, we propose a novel GAN called CrystalGAN which generates new chemically stable crystallographic structures with increased domain complexity. We introduce an original architecture, we provide the corresponding loss functions, and we show that the CrystalGAN generates very reasonable data. We illustrate the efficiency of the proposed method on a real original problem of novel hydrides discovery that can be further used in development of hydrogen storage materials.

Most network-based machine learning methods assume that the labels of two adjacent samples in the network are likely to be the same. However, assuming the pairwise relationship between samples is not complete. The information a group of samples that shows very similar pattern and tends to have similar labels is missed. The natural way overcoming the information loss of the above assumption is to represent the feature dataset of samples as the hypergraph. Thus, in this paper, we will present the un-normalized hypergraph p-Laplacian semi-supervised learning methods. These methods will be applied to the zoo dataset and the tiny version of 20 newsgroups dataset. Experiment results show that the accuracy performance measures of these un-normalized hypergraph p-Laplacian based semi-supervised learning methods are significantly greater than the accuracy performance measure of the un-normalized hypergraph Laplacian based semi-supervised learning method (the current state of the art method hypergraph Laplacian based semi-supervised learning method for classification problem with p=2).

Unsupervised and semi-supervised learning are important problems that are especially challenging with complex data like natural images. Progress on these problems would accelerate if we had access to appropriate generative models under which to pose the associated inference tasks. Inspired by the success of Convolutional Neural Networks (CNNs) for supervised prediction in images, we design the Neural Rendering Model (NRM), a new probabilistic generative model whose inference calculations correspond to those in a given CNN architecture. The NRM uses the given CNN to design the prior distribution in the probabilistic model. Furthermore, the NRM generates images from coarse to finer scales. It introduces a small set of latent variables at each level, and enforces dependencies among all the latent variables via a conjugate prior distribution. This conjugate prior yields a new regularizer based on paths rendered in the generative model for training CNNs-the Rendering Path Normalization (RPN). We demonstrate that this regularizer improves generalization, both in theory and in practice. In addition, likelihood estimation in the NRM yields training losses for CNNs, and inspired by this, we design a new loss termed as the Max-Min cross entropy which outperforms the traditional cross-entropy loss for object classification. The Max-Min cross entropy suggests a new deep network architecture, namely the Max-Min network, which can learn from less labeled data while maintaining good prediction performance. Our experiments demonstrate that the NRM with the RPN and the Max-Min architecture exceeds or matches the-state-of-art on benchmarks including SVHN, CIFAR10, and CIFAR100 for semi-supervised and supervised learning tasks.

Most network-based speech recognition methods are based on the assumption that the labels of two adjacent speech samples in the network are likely to be the same. However, assuming the pairwise relationship between speech samples is not complete. The information a group of speech samples that show very similar patterns and tend to have similar labels is missed. The natural way overcoming the information loss of the above assumption is to represent the feature data of speech samples as the hypergraph. Thus, in this paper, the three un-normalized, random walk, and symmetric normalized hypergraph Laplacian based semi-supervised learning methods applied to hypergraph constructed from the feature data of speech samples in order to predict the labels of speech samples are introduced. Experiment results show that the sensitivity performance measures of these three hypergraph Laplacian based semi-supervised learning methods are greater than the sensitivity performance measures of the Hidden Markov Model method (the current state of the art method applied to speech recognition problem) and graph based semi-supervised learning methods (i.e. the current state of the art network-based method for classification problems) applied to network created from the feature data of speech samples.

In this article, we introduce a new mode for training Generative Adversarial Networks (GANs). Rather than minimizing the distance of evidence distribution $\tilde{p}(x)$ and the generative distribution $q(x)$, we minimize the distance of $\tilde{p}(x_r)q(x_f)$ and $\tilde{p}(x_f)q(x_r)$. This adversarial pattern can be interpreted as a Turing test in GANs. It allows us to use information of real samples during training generator and accelerates the whole training procedure. We even find that just proportionally increasing the size of discriminator and generator, it succeeds on 256x256 resolution without adjusting hyperparameters carefully.

The first painting created using artificial intelligence sold for nearly half a million dollars at Christie's auction house on Thursday. The painting, a portrait of a fictional person named "Edmond de Belamy," fetched $432,500--more than 40 times the estimated price. The painting is the creation of a Paris-based collective called Obvious, a group that seeks to explore the combination of art and artificial intelligence. The collective used the Generative Adversarial Network, or GAN, algorithm to produce the work of art, and the signature of the "artist" at the bottom of the canvas is the actual algorithm used to create it. A set of 15,000 portraits painted between the 14th and 20th centuries were fed through the algorithm to produce the portrait of the "somewhat indistinct" man.

Christie's has sold its first piece of AI art, a canvas named the Portrait of Edmond Belamy, for $432,500. The sale is unusual not only as a first for the 252-year-old auction house, but because the expected price for the print was between $7,000 and $10,000. The artwork was created by a collective named Obvious. The three members of Obvious, a trio of 25-year-old French students, used a type of machine learning algorithm known as a GAN (generative adversarial network) to create the picture. The network was trained on a dataset of historical portraits, and then it tried to create one of its own.

Generative adversarial networks (GANs) are an expressive class of neural generative models with tremendous success in modeling high-dimensional continuous measures. In this paper, we present a scalable method for unbalanced optimal transport (OT) based on the generative-adversarial framework. We formulate unbalanced OT as a problem of simultaneously learning a transport map and a scaling factor that push a source measure to a target measure in a cost-optimal manner. In addition, we propose an algorithm for solving this problem based on stochastic alternating gradient updates, similar in practice to GANs. We also provide theoretical justification for this formulation, showing that it is closely related to an existing static formulation by Liero et al. (2018), and perform numerical experiments demonstrating how this methodology can be applied to population modeling.

Generative Adversarial Networks (GAN) can achieve promising performance on learning complex data distributions on different types of data. In this paper, we first show a straightforward extension of existing GAN algorithm is not applicable to point clouds, because the constraint required for discriminators is undefined for set data. We propose a two fold modification to GAN algorithm for learning to generate point clouds (PC-GAN). First, we combine ideas from hierarchical Bayesian modeling and implicit generative models by learning a hierarchical and interpretable sampling process. A key component of our method is that we train a posterior inference network for the hidden variables. Second, instead of using only state-of-the-art Wasserstein GAN objective, we propose a sandwiching objective, which results in a tighter Wasserstein distance estimate than the commonly used dual form. Thereby, PC-GAN defines a generic framework that can incorporate many existing GAN algorithms. We validate our claims on ModelNet40 benchmark dataset. Using the distance between generated point clouds and true meshes as metric, we find that PC-GAN trained by the sandwiching objective achieves better results on test data than the existing methods. Moreover, as a byproduct, PC- GAN learns versatile latent representations of point clouds, which can achieve competitive performance with other unsupervised learning algorithms on object recognition task. Lastly, we also provide studies on generating unseen classes of objects and transforming image to point cloud, which demonstrates the compelling generalization capability and potentials of PC-GAN.

A central goal of unsupervised learning is to acquire representations from unlabeled data or experience that can be used for more effective learning of downstream tasks from modest amounts of labeled data. Many prior unsupervised learning works aim to do so by developing proxy objectives based on reconstruction, disentanglement, prediction, and other metrics. Instead, we develop an unsupervised learning method that explicitly optimizes for the ability to learn a variety of tasks from small amounts of data. To do so, we construct tasks from unlabeled data in an automatic way and run meta-learning over the constructed tasks. Surprisingly, we find that, when integrated with meta-learning, relatively simple mechanisms for task design, such as clustering unsupervised representations, lead to good performance on a variety of downstream tasks. Our experiments across four image datasets indicate that our unsupervised meta-learning approach acquires a learning algorithm without any labeled data that is applicable to a wide range of downstream classification tasks, improving upon the representation learned by four prior unsupervised learning methods.