Learning can be seen as approximating an unknown function by interpolating the training data. Kriging offers a solution to this problem based on the prior specification of a kernel. We explore a numerical approximation approach to kernel selection/construction based on the simple premise that a kernel must be good if the number of interpolation points can be halved without significant loss in accuracy (measured using the intrinsic RKHS norm $\|\cdot\|$ associated with the kernel). We first test and motivate this idea on a simple problem of recovering the Green's function of an elliptic PDE (with inhomogeneous coefficients) from the sparse observation of one of its solutions. Next we consider the problem of learning non-parametric families of deep kernels of the form $K_1(F_n(x),F_n(x'))$ with $F_{n+1}=(I_d+\epsilon G_{n+1})\circ F_n$ and $G_{n+1} \in \operatorname{Span}\{K_1(F_n(x_i),\cdot)\}$. With the proposed approach constructing the kernel becomes equivalent to integrating a stochastic data driven dynamical system, which allows for the training of very deep (bottomless) networks and the exploration of their properties. These networks learn by constructing flow maps in the kernel and input spaces via incremental data-dependent deformations/perturbations (appearing as the cooperative counterpart of adversarial examples) and, at profound depths, they (1) can achieve accurate classification from only one data point per class (2) appear to learn archetypes of each class (3) expand distances between points that are in different classes and contract distances between points in the same class. For kernels parameterized by the weights of Convolutional Neural Network, minimizing approximation errors incurred by halving random subsets of interpolation points, appears to outperform training (the same CNN architecture) with relative entropy and dropout.

Acute Kidney Injury (AKI), a sudden decline in kidney function, is associated with increased mortality, morbidity, length of stay, and hospital cost. Since AKI is sometimes preventable, there is great interest in prediction. Most existing studies consider all patients and therefore restrict to features available in the first hours of hospitalization. Here, the focus is instead on rehospitalized patients, a cohort in which rich longitudinal features from prior hospitalizations can be analyzed. Our objective is to provide a risk score directly at hospital re-entry. Gradient boosting, penalized logistic regression (with and without stability selection), and a recurrent neural network are trained on two years of adult inpatient EHR data (3,387 attributes for 34,505 patients who generated 90,013 training samples with 5,618 cases and 84,395 controls). Predictions are internally evaluated with 50 iterations of 5-fold grouped cross-validation with special emphasis on calibration, an analysis of which is performed at the patient as well as hospitalization level. Error is assessed with respect to diagnosis, race, age, gender, AKI identification method, and hospital utilization. In an additional experiment, the regularization penalty is severely increased to induce parsimony and interpretability. Predictors identified for rehospitalized patients are also reported with a special analysis of medications that might be modifiable risk factors. Insights from this study might be used to construct a predictive tool for AKI in rehospitalized patients. An accurate estimate of AKI risk at hospital entry might serve as a prior for an admitting provider or another predictive algorithm.

Deep learning algorithms excel at extracting patterns from raw data. Through representation learning and automated feature engineering on large datasets, such models have been highly successful in computer vision and natural language applications. However, in many other technical domains, large datasets on which to learn representations from may not be feasible. In this work, we develop a novel multimodal CNN-MLP neural network architecture that utilizes both domain-specific feature engineering as well as learned representations from raw data. We illustrate the effectiveness of such an approach in the chemical sciences, for predicting chemical properties, where labeled data is scarce owing to the high costs associated with acquiring labels through experimental measurements. By training on both raw chemical data and using engineered chemical features, while leveraging weak supervised learning and transfer learning methods, we show that the multimodal CNN-MLP network is more accurate than either a standalone CNN or MLP network that uses only raw data or engineered features respectively. Using this multimodal network, we then develop the DeepBioD model for predicting chemical biodegradability, which achieves an error classification rate of 0.125 that is 27% lower than the current state-of-the-art. Thus, our work indicates that combining traditional feature engineering with representation learning on raw data can be an effective approach, particularly in situations where labeled training data is limited. Such a framework can also be potentially applied to other technical fields, where substantial research efforts into feature engineering has been established.

Yinlam Chow DeepMind We study risk-sensitive imitation learning where the agent's goal is to perform at least as well as the expert in terms of a risk profile. We first formulate our risk-sensitive imitation learning setting. We consider the generative adversarial approach to imitation learning (GAIL) and derive an optimization problem for our formulation, which we call risk-sensitive GAIL (RS-GAIL). We then derive two different versions of our RS-GAIL optimization problem that aim at matching the risk profiles of the agent and the expert w.r.t. Jensen-Shannon (JS) divergence and Wasserstein distance, and develop risk-sensitive generative adversarial imitation learning algorithms based on these optimization problems. We evaluate the performance of our JSbased algorithm and compare it with GAIL and the risk-averse imitation learning (RAIL) algorithm in two Mu-JoCo tasks.

In this article, we propose a novel technique for classification of the Murmurs in heart sound. We introduce a novel deep neural network architecture using parallel combination of the Recurrent Neural Network (RNN) based Bidirectional Long Short-Term Memory (BiLSTM) & Convolutional Neural Network (CNN) to learn visual and time-dependent characteristics of Murmur in PCG waveform. Set of acoustic features are presented to our proposed deep neural network to discriminate between Normal and Murmur class. The proposed method was evaluated on a large dataset using 5-fold cross-validation, resulting in a sensitivity and specificity of 96 +- 0.6 % , 100 +- 0 % respectively and F1 Score of 98 +- 0.3 %.

This document aims to provide a review on learning with deep generative models (DGMs), which is an highly-active area in machine learning and more generally, artificial intelligence. This review is not meant to be a tutorial, but when necessary, we provide self-contained derivations for completeness. This review has two features. First, though there are different perspectives to classify DGMs, we choose to organize this review from the perspective of graphical modeling, because the learning methods for directed DGMs and undirected DGMs are fundamentally different. Second, we differentiate model definitions from model learning algorithms, since different learning algorithms can be applied to solve the learning problem on the same model, and an algorithm can be applied to learn different models. We thus separate model definition and model learning, with more emphasis on reviewing, differentiating and connecting different learning algorithms. We also discuss promising future research directions. This review is by no means comprehensive as the field is evolving rapidly. The authors apologize in advance for any missed papers and inaccuracies in descriptions. Corrections and comments are highly welcome.

In recent years, deep neural networks have revolutionized many application domains of machine learning and are key components of many critical decision or predictive processes. Therefore, it is crucial that domain specialists can understand and analyze actions and pre- dictions, even of the most complex neural network architectures. Despite these arguments neural networks are often treated as black boxes. In the attempt to alleviate this short- coming many analysis methods were proposed, yet the lack of reference implementations often makes a systematic comparison between the methods a major effort. The presented library iNNvestigate addresses this by providing a common interface and out-of-the- box implementation for many analysis methods, including the reference implementation for PatternNet and PatternAttribution as well as for LRP-methods. To demonstrate the versatility of iNNvestigate, we provide an analysis of image classifications for variety of state-of-the-art neural network architectures.

Deep neural networks are the state-of-the-art methods for many real-world tasks, such as computer vision, natural language processing and speech recognition. For all its popularity, deep neural networks are also criticized for consuming a lot of memory and draining battery life of devices during training and inference. This makes it hard to deploy these models on mobile or embedded devices which have tight resource constraints. Quantization is recognized as one of the most effective approaches to satisfy the extreme memory requirements that deep neural network models demand. Instead of adopting 32-bit floating point format to represent weights, quantized representations store weights using more compact formats such as integers or even binary numbers. Despite a possible degradation in predictive performance, quantization provides a potential solution to greatly reduce the model size and the energy consumption. In this survey, we give a thorough review of different aspects of quantized neural networks. Current challenges and trends of quantized neural networks are also discussed.

Machine learning (ML) techniques such as (deep) artificial neural networks (DNN) are solving very successfully a plethora of tasks and provide new predictive models for complex physical, chemical, biological and social systems. However, in most cases this comes with the disadvantage of acting as a black box, rarely providing information about what made them arrive at a particular prediction. This black box aspect of ML techniques can be problematic especially in medical diagnoses, so far hampering a clinical acceptance. The present paper studies the uniqueness of individual gait patterns in clinical biomechanics using DNNs. By attributing portions of the model predictions back to the input variables (ground reaction forces and full-body joint angles), the Layer-Wise Relevance Propagation (LRP) technique reliably demonstrates which variables at what time windows of the gait cycle are most relevant for the characterisation of gait patterns from a certain individual. By measuring the timeresolved contribution of each input variable to the prediction of ML techniques such as DNNs, our method describes the first general framework that enables to understand and interpret non-linear ML methods in (biomechanical) gait analysis and thereby supplies a powerful tool for analysis, diagnosis and treatment of human gait.

This post will spotlight a select group of open source Python data science projects with GitHub repos. A previous incarnation if this post series detailed "machine learning projects you could no longer overlook." This time around we expand to include a wider spectrum of data science projects, all of which are open source and reside on GitHub. The list is clearly subjective, being composed of code I have come across and found interesting or useful for one reason or another. For each entry I have included links to the respective repos, documentation, a getting started guide or similar, and a descriptive excerpt from documentation.