Deep learning framework with an interface or a library/tool helps Data Scientists and ML Developers to bring the deep learning models into life. Deep Learning a sub-branch of machine learning, that puts efficiency and accuracy on the table, when it is trained with a vast amounts of bigdata. TensorFlow developed by the Google Brain team, is inarguably one of the most popular deep learning frameworks. It supports Python, C, and R to create deep learning models along with wrapper libraries. It is available on both desktop and mobile.

Such examples include predicting input/output responses, design, and optimization [55]. These ODEs and their solutions often depend on a set of input parameters, and such ODEs are denoted as parameterized ODEs. Examples of such input parameters within the context of fluid dynamics include Reynolds number and Mach number. In many important scenarios, high-fidelity solutions of parameterized ODEs are required to be computed i) for many different input parameter instances (i.e., many-query scenario) or ii) in real time on a new input parameter instance. A single run of a high-fidelity simulation, however, often requires fine spatiotemporal resolutions. Consequently, performing real-time or multiple runs of a high-fidelity simulation can be computationally prohibitive. To mitigate this computational burden, many model-order reduction approaches have been proposed to replace costly high-fidelity simulations. The common goal of these approaches is to build a reduced-dynamical model with lower complexity than that of the high-fidelity model, and to use the reduced model to compute approximate solutions for any new input parameter instance. In general, model-order reduction approaches consist of two components: i) a low-dimensional latent-dynamics model, where the computational complexity is very low, and ii) a (non)linear mapping that constructs high-dimensional approximate states (i.e., solutions) from the low-dimensional states obtained from the latent-dynamics model.

We consider the development of practical stochastic quasi-Newton, and in particular Kronecker-factored block-diagonal BFGS and L-BFGS methods, for training deep neural networks (DNNs). In DNN training, the number of variables and components of the gradient $n$ is often of the order of tens of millions and the Hessian has $n^2$ elements. Consequently, computing and storing a full $n \times n$ BFGS approximation or storing a modest number of (step, change in gradient) vector pairs for use in an L-BFGS implementation is out of the question. In our proposed methods, we approximate the Hessian by a block-diagonal matrix and use the structure of the gradient and Hessian to further approximate these blocks, each of which corresponds to a layer, as the Kronecker product of two much smaller matrices. This is analogous to the approach in KFAC, which computes a Kronecker-factored block-diagonal approximation to the Fisher matrix in a stochastic natural gradient method. Because the indefinite and highly variable nature of the Hessian in a DNN, we also propose a new damping approach to keep the upper as well as the lower bounds of the BFGS and L-BFGS approximations bounded. In tests on autoencoder feed-forward neural network models with either nine or thirteen layers applied to three datasets, our methods outperformed or performed comparably to KFAC and state-of-the-art first-order stochastic methods.

A novel extension of the Probabilistic Learning on Manifolds (PLoM) is presented. It makes it possible to synthesize solutions to a wide range of nonlinear stochastic boundary value problems described by partial differential equations (PDEs) for which a stochastic computational model (SCM) is available and depends on a vector-valued random control parameter. The cost of a single numerical evaluation of this SCM is assumed to be such that only a limited number of points can be computed for constructing the training dataset (small data). Each point of the training dataset is made up realizations from a vector-valued stochastic process (the stochastic solution) and the associated random control parameter on which it depends. The presented PLoM constrained by PDE allows for generating a large number of learned realizations of the stochastic process and its corresponding random control parameter. These learned realizations are generated so as to minimize the vector-valued random residual of the PDE in the mean-square sense. Appropriate novel methods are developed to solve this challenging problem. Three applications are presented. The first one is a simple uncertain nonlinear dynamical system with a nonstationary stochastic excitation. The second one concerns the 2D nonlinear unsteady Navier-Stokes equations for incompressible flows in which the Reynolds number is the random control parameter. The last one deals with the nonlinear dynamics of a 3D elastic structure with uncertainties. The results obtained make it possible to validate the PLoM constrained by stochastic PDE but also provide further validation of the PLoM without constraint.

Demographic inference from text has received a surge of attention in the field of natural language processing in the last decade. In this paper, we use personal names to infer religion in South Asia - where religion is a salient social division, and yet, disaggregated data on it remains scarce. Existing work predicts religion using dictionary based method, and therefore, can not classify unseen names. We use character based models which learn character patterns and, therefore, can classify unseen names as well with high accuracy. These models are also much faster and can easily be scaled to large data sets. We improve our classifier by combining the name of an individual with that of their parent/spouse and achieve remarkably high accuracy. Finally, we trace the classification decisions of a convolutional neural network model using layer-wise relevance propagation which can explain the predictions of complex non-linear classifiers and circumvent their purported black box nature. We show how character patterns learned by the classifier are rooted in the linguistic origins of names.

De novo molecular design attempts to search over the chemical space for molecules with the desired property. Recently, deep learning has gained considerable attention as a promising approach to solve the problem. In this paper, we propose genetic expert-guided learning (GEGL), a simple yet novel framework for training a deep neural network (DNN) to generate highly-rewarding molecules. Our main idea is to design a "genetic expert improvement" procedure, which generates high-quality targets for imitation learning of the DNN. Extensive experiments show that GEGL significantly improves over state-of-the-art methods. For example, GEGL manages to solve the penalized octanol-water partition coefficient optimization with a score of 31.40, while the best-known score in the literature is 27.22. Besides, for the GuacaMol benchmark with 20 tasks, our method achieves the highest score for 19 tasks, in comparison with state-of-the-art methods, and newly obtains the perfect score for three tasks. Our training code is available at https://github.com/

Generating asset-specific trading signals based on the financial conditions of the assets is one of the challenging problems in automated trading. Various asset trading rules are proposed experimentally based on different technical analysis techniques. However, these kind of trading strategies are profitable, extracting new asset-specific trading rules from vast historical data to increase total return and decrease the risk of portfolios is difficult for human experts. Recently, various deep reinforcement learning (DRL) methods are employed to learn the new trading rules for each asset. In this paper, a novel DRL model with various feature extraction modules is proposed. The effect of different input representations on the performance of the models is investigated and the performance of DRL-based models in different markets and asset situations is studied. The proposed model in this work outperformed the other state-of-the-art models in learning single asset-specific trading rules and obtained a total return of almost 262% in two years on a specific asset while the best state-of-the-art model get 78% on the same asset in the same time period.

Identifying whole/part relationships between books in digital libraries can be a valuable tool for better understanding and cataloging the works found in bibliographic collections, irrespective of the form in which they were printed. However, this relationship is difficult to learn computationally because of limited ground truth availability. In this paper, we present an approach for data augmentation of whole/part training data through the use of artificially generated books. Artificial data is found to be a robust approach to training deep neural network classifiers on books with limited real ground truth, working to prevent over-fitting and improving classification by 91.0%. Modern cataloging standards support encoding complex work-level relationships, opening the possibility for bibliographic collections that better represent the complex ways that works are changed, iterated, and collated in library books.

Action-value estimation is a critical component of many reinforcement learning (RL) methods whereby sample complexity relies heavily on how fast a good estimator for action value can be learned. By viewing this problem through the lens of representation learning, good representations of both state and action can facilitate action-value estimation. While advances in deep learning have seamlessly driven progress in learning state representations, given the specificity of the notion of agency to RL, little attention has been paid to learning action representations. We conjecture that leveraging the combinatorial structure of multi-dimensional action spaces is a key ingredient for learning good representations of action. To test this, we set forth the action hypergraph networks framework---a class of functions for learning action representations with a relational inductive bias. Using this framework we realise an agent class based on a combination with deep Q-networks, which we dub hypergraph Q-networks. We show the effectiveness of our approach on a myriad of domains: illustrative prediction problems under minimal confounding effects, Atari 2600 games, and physical control benchmarks.

This work attempts to interpret modern deep (convolutional) networks from the principles of rate reduction and (shift) invariant classification. We show that the basic iterative gradient ascent scheme for optimizing the rate reduction of learned features naturally leads to a multi-layer deep network, one iteration per layer. The layered architectures, linear and nonlinear operators, and even parameters of the network are all explicitly constructed layer-by-layer in a forward propagation fashion by emulating the gradient scheme. All components of this "white box" network have precise optimization, statistical, and geometric interpretation. This principled framework also reveals and justifies the role of multi-channel lifting and sparse coding in early stage of deep networks. Moreover, all linear operators of the so-derived network naturally become multi-channel convolutions when we enforce classification to be rigorously shift-invariant. The derivation also indicates that such a convolutional network is significantly more efficient to construct and learn in the spectral domain. Our preliminary simulations and experiments indicate that so constructed deep network can already learn a good discriminative representation even without any back propagation training. In recent years, various deep (convolution) network architectures such as AlexNet (Krizhevsky et al., 2012), VGG (Simonyan & Zisserman, 2015), ResNet (He et al., 2016), DenseNet (Huang et al., 2017), Recurrent CNN, LSTM (Hochreiter & Schmidhuber, 1997), Capsule Networks (Hinton et al., 2011), etc., have demonstrated very good performance in classification tasks of real-world datasets such as speeches or images. Nevertheless, almost all such networks are developed through years of empirical trial and error, including both their architectures/operators and the ways they are to be effectively trained. Some recent practices even take to the extreme by searching for effective network structures and training strategies through extensive random search techniques, such as Neural Architecture Search (Zoph & Le, 2017; Baker et al., 2017), AutoML (Hutter et al., 2019), and Learning to Learn (Andrychowicz et al., 2016).