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This paper develops the Continuous Pontryagin Differentiable Programming (Continuous PDP) method that enables a robot to learn a control utility function from a few number of sparsely demonstrated keyframes. The keyframes are few desired sequential outputs that a robot is wanted to follow at certain time instances. The duration of the keyframes may be different from that of the robot actual execution. The method jointly searches for a robot control utility function and a time-warping function such that the robot motion sequentially follows the given keyframes with minimal discrepancy loss. Continuous PDP minimizes the discrepancy loss using projected gradient descent, by efficiently solving the gradient of robot motion with respect to the unknown parameters. The method is first evaluated on a simulated two-link robot arm, and then applied to a 6-DoF maneuvering quadrotor to learn a utility function from keyframes for its motion planning in un-modeled environments with obstacles. The results show the efficiency of the method, its ability to handle time misalignment between keyframes and robot execution, and the generalization of the learned utility function into unseen motion conditions.

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The reinforcement learning (RL) problem is rife with sources of non-stationarity, making it a notoriously difficult problem domain for the application of neural networks. We identify a mechanism by which non-stationary prediction targets can prevent learning progress in deep RL agents: \textit{capacity loss}, whereby networks trained on a sequence of target values lose their ability to quickly update their predictions over time. We demonstrate that capacity loss occurs in a range of RL agents and environments, and is particularly damaging to performance in sparse-reward tasks. We then present a simple regularizer, Initial Feature Regularization (InFeR), that mitigates this phenomenon by regressing a subspace of features towards its value at initialization, leading to significant performance improvements in sparse-reward environments such as Montezuma's Revenge. We conclude that preventing capacity loss is crucial to enable agents to maximally benefit from the learning signals they obtain throughout the entire training trajectory.

We present a data-efficient framework for solving sequential decision-making problems which exploits the combination of reinforcement learning (RL) and latent variable generative models. The framework, called GenRL, trains deep policies by introducing an action latent variable such that the feed-forward policy search can be divided into two parts: (i) training a sub-policy that outputs a distribution over the action latent variable given a state of the system, and (ii) unsupervised training of a generative model that outputs a sequence of motor actions conditioned on the latent action variable. GenRL enables safe exploration and alleviates the data-inefficiency problem as it exploits prior knowledge about valid sequences of motor actions. Moreover, we provide a set of measures for evaluation of generative models such that we are able to predict the performance of the RL policy training prior to the actual training on a physical robot. We experimentally determine the characteristics of generative models that have most influence on the performance of the final policy training on two robotics tasks: shooting a hockey puck and throwing a basketball. Furthermore, we empirically demonstrate that GenRL is the only method which can safely and efficiently solve the robotics tasks compared to two state-of-the-art RL methods.

Reinforcement Learning (RL) approaches are lately deployed for orchestrating wireless communications empowered by Reconfigurable Intelligent Surfaces (RISs), leveraging their online optimization capabilities. Most commonly, in RL-based formulations for realistic RISs with low resolution phase-tunable elements, each configuration is modeled as a distinct reflection action, resulting to inefficient exploration due to the exponential nature of the search space. In this paper, we consider RISs with 1-bit phase resolution elements, and model the action of each of them as a binary vector including the feasible reflection coefficients. We then introduce two variations of the well-established Deep Q-Network (DQN) and Deep Deterministic Policy Gradient (DDPG) agents, aiming for effective exploration of the binary action spaces. For the case of DQN, we make use of an efficient approximation of the Q-function, whereas a discretization post-processing step is applied to the output of DDPG. Our simulation results showcase that the proposed techniques greatly outperform the baseline in terms of the rate maximization objective, when large-scale RISs are considered. In addition, when dealing with moderate scale RIS sizes, where the conventional DQN based on configuration-based action spaces is feasible, the performance of the latter technique is similar to the proposed learning approach.

The goal of imitation learning is to mimic expert behavior from demonstrations, without access to an explicit reward signal. A popular class of approach infers the (unknown) reward function via inverse reinforcement learning (IRL) followed by maximizing this reward function via reinforcement learning (RL). The policies learned via these approaches are however very brittle in practice and deteriorate quickly even with small test-time perturbations due to compounding errors. We propose Imitation with Planning at Test-time (IMPLANT), a new meta-algorithm for imitation learning that utilizes decision-time planning to correct for compounding errors of any base imitation policy. In contrast to existing approaches, we retain both the imitation policy and the rewards model at decision-time, thereby benefiting from the learning signal of the two components. Empirically, we demonstrate that IMPLANT significantly outperforms benchmark imitation learning approaches on standard control environments and excels at zero-shot generalization when subject to challenging perturbations in test-time dynamics.

Imitation learning is a promising approach to help robots acquire dexterous manipulation capabilities without the need for a carefully-designed reward or a significant computational effort. However, existing imitation learning approaches require sophisticated data collection infrastructure and struggle to generalize beyond the training distribution. One way to address this limitation is to gather additional data that better represents the full operating conditions. In this work, we investigate characteristics of such additional demonstrations and their impact on performance. Specifically, we study the effects of corrective and randomly-sampled additional demonstrations on learning a policy that guides a five-fingered robot hand through a pick-and-place task. Our results suggest that corrective demonstrations considerably outperform randomly-sampled demonstrations, when the proportion of additional demonstrations sampled from the full task distribution is larger than the number of original demonstrations sampled from a restrictive training distribution. Conversely, when the number of original demonstrations are higher than that of additional demonstrations, we find no significant differences between corrective and randomly-sampled additional demonstrations. These results provide insights into the inherent trade-off between the effort required to collect corrective demonstrations and their relative benefits over randomly-sampled demonstrations. Additionally, we show that inexpensive vision-based sensors, such as LeapMotion, can be used to dramatically reduce the cost of providing demonstrations for dexterous manipulation tasks. Our code is available at //github.com/GT-STAR-Lab/corrective-demos-dexterous-manipulation.

Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.

Adversarial training (i.e., training on adversarially perturbed input data) is a well-studied method for making neural networks robust to potential adversarial attacks during inference. However, the improved robustness does not come for free but rather is accompanied by a decrease in overall model accuracy and performance. Recent work has shown that, in practical robot learning applications, the effects of adversarial training do not pose a fair trade-off but inflict a net loss when measured in holistic robot performance. This work revisits the robustness-accuracy trade-off in robot learning by systematically analyzing if recent advances in robust training methods and theory in conjunction with adversarial robot learning can make adversarial training suitable for real-world robot applications. We evaluate a wide variety of robot learning tasks ranging from autonomous driving in a high-fidelity environment amenable to sim-to-real deployment, to mobile robot gesture recognition. Our results demonstrate that, while these techniques make incremental improvements on the trade-off on a relative scale, the negative side-effects caused by adversarial training still outweigh the improvements by an order of magnitude. We conclude that more substantial advances in robust learning methods are necessary before they can benefit robot learning tasks in practice.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

The potential of graph convolutional neural networks for the task of zero-shot learning has been demonstrated recently. These models are highly sample efficient as related concepts in the graph structure share statistical strength allowing generalization to new classes when faced with a lack of data. However, knowledge from distant nodes can get diluted when propagating through intermediate nodes, because current approaches to zero-shot learning use graph propagation schemes that perform Laplacian smoothing at each layer. We show that extensive smoothing does not help the task of regressing classifier weights in zero-shot learning. In order to still incorporate information from distant nodes and utilize the graph structure, we propose an Attentive Dense Graph Propagation Module (ADGPM). ADGPM allows us to exploit the hierarchical graph structure of the knowledge graph through additional connections. These connections are added based on a node's relationship to its ancestors and descendants and an attention scheme is further used to weigh their contribution depending on the distance to the node. Finally, we illustrate that finetuning of the feature representation after training the ADGPM leads to considerable improvements. Our method achieves competitive results, outperforming previous zero-shot learning approaches.

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