Imitation Learning describes the problem of recovering an expert policy from demonstrations. While inverse reinforcement learning approaches are known to be very sample-efficient in terms of expert demonstrations, they usually require problem-dependent reward functions or a (task-)specific reward-function regularization. In this paper, we show a natural connection between inverse reinforcement learning approaches and Optimal Transport, that enables more general reward functions with desirable properties (e.g., smoothness). Based on our observation, we propose a novel approach called Wasserstein Adversarial Imitation Learning. Our approach considers the Kantorovich potentials as a reward function and further leverages regularized optimal transport to enable large-scale applications. In several robotic experiments, our approach outperforms the baselines in terms of average cumulative rewards and shows a significant improvement in sample-efficiency, by requiring just one expert demonstration.

Estimates of predictive uncertainty are important for accurate model-based planning and reinforcement learning. However, predictive uncertainties---especially ones derived from modern deep learning systems---can be inaccurate and impose a bottleneck on performance. This paper explores which uncertainties are needed for model-based reinforcement learning and argues that good uncertainties must be calibrated, i.e. their probabilities should match empirical frequencies of predicted events. We describe a simple way to augment any model-based reinforcement learning agent with a calibrated model and show that doing so consistently improves planning, sample complexity, and exploration. On the \textsc{HalfCheetah} MuJoCo task, our system achieves state-of-the-art performance using 50\% fewer samples than the current leading approach. Our findings suggest that calibration can improve the performance of model-based reinforcement learning with minimal computational and implementation overhead.

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current literature is fragmented when it comes to datasets and standardized evaluation techniques. To facilitate progress in this field, we introduce the Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. We curate tasks into specific training, validation, and test splits to ensure that each task tests biologically relevant generalization that transfers to real-life scenarios. We benchmark a range of approaches to semi-supervised protein representation learning, which span recent work as well as canonical sequence learning techniques. We find that self-supervised pretraining is helpful for almost all models on all tasks, more than doubling performance in some cases. Despite this increase, in several cases features learned by self-supervised pretraining still lag behind features extracted by state-of-the-art non-neural techniques. This gap in performance suggests a huge opportunity for innovative architecture design and improved modeling paradigms that better capture the signal in biological sequences. TAPE will help the machine learning community focus effort on scientifically relevant problems.

We develop BatchBALD, a tractable approximation to the mutual information between a batch of points and model parameters, which we use as an acquisition function to select multiple informative points jointly for the task of deep Bayesian active learning. BatchBALD is a greedy linear-time $1 - \frac{1}{e}$-approximate algorithm amenable to dynamic programming and efficient caching. We compare BatchBALD to the commonly used approach for batch data acquisition and find that the current approach acquires similar and redundant points, sometimes performing worse than randomly acquiring data. We finish by showing that, using BatchBALD to consider dependencies within an acquisition batch, we achieve new state of the art performance on standard benchmarks, providing substantial data efficiency improvements in batch acquisition.

Neural machine translation models are used to automatically generate a document from given source code since this can be regarded as a machine translation task. Source code summarization is one of the components for automatic document generation, which generates a summary in natural language from given source code. This suggests that techniques used in neural machine translation, such as Long Short-Term Memory (LSTM), can be used for source code summarization. However, there is a considerable difference between source code and natural language: Source code is essentially {\em structured}, having loops and conditional branching, etc. Therefore, there is some obstacle to apply known machine translation models to source code. Abstract syntax trees (ASTs) capture these structural properties and play an important role in recent machine learning studies on source code. Tree-LSTM is proposed as a generalization of LSTMs for tree-structured data. However, there is a critical issue when applying it to ASTs: It cannot handle a tree that contains nodes having an arbitrary number of children and their order simultaneously, which ASTs generally have such nodes. To address this issue, we propose an extension of Tree-LSTM, which we call \emph{Multi-way Tree-LSTM} and apply it for source code summarization. As a result of computational experiments, our proposal achieved better results when compared with several state-of-the-art techniques.

The power of neural networks lies in their ability to generalize to unseen data, yet the underlying reasons for this phenomenon remain elusive. Numerous rigorous attempts have been made to explain generalization, but available bounds are still quite loose, and analysis does not always lead to true understanding. The goal of this work is to make generalization more intuitive. Using visualization methods, we discuss the mystery of generalization, the geometry of loss landscapes, and how the curse (or, rather, the blessing) of dimensionality causes optimizers to settle into minima that generalize well.

We present Generative Adversarial Privacy and Fairness (GAPF), a data-driven framework for learning private and fair representations. GAPF leverages recent advancements in adversarial learning to allow a data holder to learn "universal" representations that decouple a set of sensitive attributes from the rest of the dataset. Under GAPF, finding the optimal privacy mechanism is formulated as a constrained minimax game between a private/fair encoder and an adversary. We show that for appropriately chosen adversarial loss functions, GAPF provides privacy guarantees against strong information-theoretic adversaries and enforces demographic parity. We also evaluate the performance of GAPF on multi-dimensional Gaussian mixture models and real datasets, and show how a designer can certify that representations learned under an adversary with a fixed architecture perform well against more complex adversaries.

Service supply chain management is to prepare spare parts for failed products under warranty. Their goal is to reach agreed service level at the minimum cost. We convert this business problem into a preference based multi-objective optimization problem, where two quality criteria must be simultaneously optimized. One criterion is accuracy of demand forecast and the other is service level. Here we propose a general framework supporting solving preference-based multi-objective optimization problems (MOPs) by multi-gradient descent algorithm (MGDA), which is well suited for training deep neural network. The proposed framework treats agreed service level as a constrained criterion that must be met and generate a Pareto-optimal solution with highest forecasting accuracy. The neural networks used here are two Encoder-Decoder LSTM modes: one is used for pre-training phase to learn distributed representation of former generations' service parts consumption data, and the other is used for supervised learning phase to generate forecast quantities of current generations' service parts. Evaluated under the service parts consumption data in Lenovo Group Ltd, the proposed method clearly outperform baseline methods.

Deep-learning algorithms help uncovering insights that were previously hidden away in the dark. A mind-boggling amount of healthcare data is generated annually, namely about a trillion gigabytes of data, according to latest estimates. Thanks to the emergence of advanced analytical approaches such as machine learning and deep learning, it has only recently become possible to make sense of such massive data sets. They may help lift the veil on the complexity of human biology. There are still no curative therapies available to date.

Data science is an interdisciplinary field that uses mathematics and advanced statistics to make predictions. All data science algorithms directly or indirectly use mathematical concepts. Solid understanding of math will help you develop innovative data science solutions such as a recommender system. If you are good at mathematics, it will make your transition into data science easier. As a data scientist, you have to utilize the fundamental concepts of mathematics to solve problems.