It is common practice to use large computational resources to train neural networks, as is known from many examples, such as reinforcement learning applications. However, while massively parallel computing is often used for training models, it is rarely used for searching solutions for combinatorial optimization problems. In this paper, we propose to apply a hash function based distributed parallel Monte-Carlo Tree Search (MCTS) to a real-world problem of molecular design. By running our massively parallel MCTS combined with a simple RNN on 1024 CPU cores for 10 minutes, we achieved a score on a molecular design problem that significantly outperforms existing work. Whereas existing studies on massively scalable parallel MCTS only compare the number of rollouts, we prove the practicality of the algorithm by comparing the quality of the solutions obtained in practice. This method is generic and is expected to speed up other applications of MCTS.

In order to deploy autonomous agents in digital interactive environments, they must be able to act robustly in unseen situations. The standard machine learning approach is to include as much variation as possible into training these agents. The agents can then interpolate within their training, but they cannot extrapolate much beyond it. This paper proposes a principled approach where a context module is coevolved with a skill module in the game. The context module recognizes the temporal variation in the game and modulates the outputs of the skill module so that the action decisions can be made robustly even in previously unseen situations. The approach is evaluated in the Flappy Bird and LunarLander video games, as well as in the CARLA autonomous driving simulation. The Context+Skill approach leads to significantly more robust behavior in environments that require extrapolation beyond training. Such a principled generalization ability is essential in deploying autonomous agents in real-world tasks, and can serve as a foundation for continual adaptation as well.

In this work, we investigate the problem of revealing the functionality of a black-box agent. Notably, we are interested in the interpretable and formal description of the behavior of such an agent. Ideally, this description would take the form of a program written in a high-level language. This task is also known as reverse engineering and plays a pivotal role in software engineering, computer security, but also most recently in interpretability. In contrast to prior work, we do not rely on privileged information on the black box, but rather investigate the problem under a weaker assumption of having only access to inputs and outputs of the program. We approach this problem by iteratively refining a candidate set using a generative neural program synthesis approach until we arrive at a functionally equivalent program. We assess the performance of our approach on the Karel dataset. Our results show that the proposed approach outperforms the state-of-the-art on this challenge by finding a functional equivalent program in 78% of cases -- even exceeding prior work that had privileged information on the black-box.

As humans, our goals and our environment are persistently changing throughout our lifetime based on our experiences, actions, and internal and external drives. In contrast, typical reinforcement learning problem set-ups consider decision processes that are stationary across episodes. Can we develop reinforcement learning algorithms that can cope with the persistent change in the former, more realistic problem settings? While on-policy algorithms such as policy gradients in principle can be extended to non-stationary settings, the same cannot be said for more efficient off-policy algorithms that replay past experiences when learning. In this work, we formalize this problem setting, and draw upon ideas from the online learning and probabilistic inference literature to derive an off-policy RL algorithm that can reason about and tackle such lifelong non-stationarity. Our method leverages latent variable models to learn a representation of the environment from current and past experiences, and performs off-policy RL with this representation. We further introduce several simulation environments that exhibit lifelong non-stationarity, and empirically find that our approach substantially outperforms approaches that do not reason about environment shift.

Physical reasoning requires forward prediction: the ability to forecast what will happen next given some initial world state. We study the performance of state-of-the-art forward-prediction models in complex physical-reasoning tasks. We do so by incorporating models that operate on object or pixel-based representations of the world, into simple physical-reasoning agents. We find that forward-prediction models improve the performance of physical-reasoning agents, particularly on complex tasks that involve many objects. However, we also find that these improvements are contingent on the training tasks being similar to the test tasks, and that generalization to different tasks is more challenging. Surprisingly, we observe that forward predictors with better pixel accuracy do not necessarily lead to better physical-reasoning performance. Nevertheless, our best models set a new state-of-the-art on the PHYRE benchmark for physical reasoning.

Smart devices in the Internet of Things (IoT) paradigm provide a variety of unobtrusive and pervasive means for continuous monitoring of bio-metrics and health information. Furthermore, automated personalization and authentication through such smart systems can enable better user experience and security. In this paper, simultaneous estimation and monitoring of body mass index (BMI) and user identity recognition through a unified machine learning framework using smart beds is explored. To this end, we utilize pressure data collected from textile-based sensor arrays integrated onto a mattress to estimate the BMI values of subjects and classify their identities in different positions by using a deep multitask neural network. First, we filter and extract 14 features from the data and subsequently employ deep neural networks for BMI estimation and subject identification on two different public datasets. Finally, we demonstrate that our proposed solution outperforms prior works and several machine learning benchmarks by a considerable margin, while also estimating users' BMI in a 10-fold cross-validation scheme.

Recent defenses published at venues like NIPS, ICML, ICLR and CVPR are mainly focused on mitigating white-box attacks. These defenses do not properly consider adaptive adversaries. In this paper, we expand the scope of these defenses to include adaptive black-box adversaries. Our evaluation is done on nine defenses including Barrage of Random Transforms, ComDefend, Ensemble Diversity, Feature Distillation, The Odds are Odd, Error Correcting Codes, Distribution Classifier Defense, K-Winner Take All and Buffer Zones. Our investigation is done using two black-box adversarial models and six widely studied adversarial attacks for CIFAR-10 and Fashion-MNIST datasets. Our analyses show most recent defenses provide only marginal improvements in security, as compared to undefended networks. Based on these results, we propose new standards for properly evaluating defenses to black-box adversaries. We provide this security framework to assist researchers in developing future black-box resistant models.

We propose layer saturation - a simple, online-computable method for analyzing the information processing in neural networks. First, we show that a layer's output can be restricted to the eigenspace of its variance matrix without performance loss. We propose a computationally lightweight method for approximating the variance matrix during training. From the dimension of its lossless eigenspace we derive layer saturation - the ratio between the eigenspace dimension and layer width. We show that saturation seems to indicate which layers contribute to network performance. We demonstrate how to alter layer saturation in a neural network by changing network depth, filter sizes and input resolution. Furthermore, we show that well-chosen input resolution increases network performance by distributing the inference process more evenly across the network.

Most of existing embedding based recommendation models use embeddings (vectors) corresponding to a single fixed point in low-dimensional space, to represent users and items. Such embeddings fail to precisely represent the users/items with uncertainty often observed in recommender systems. Addressing this problem, we propose a unified deep recommendation framework employing Gaussian embeddings, which are proven adaptive to uncertain preferences exhibited by some users, resulting in better user representations and recommendation performance. Furthermore, our framework adopts Monte-Carlo sampling and convolutional neural networks to compute the correlation between the objective user and the candidate item, based on which precise recommendations are achieved. Our extensive experiments on two benchmark datasets not only justify that our proposed Gaussian embeddings capture the uncertainty of users very well, but also demonstrate its superior performance over the state-of-the-art recommendation models.

Differentially private stochastic gradient descent (DPSGD) is a variation of stochastic gradient descent based on the Differential Privacy (DP) paradigm which can mitigate privacy threats arising from the presence of sensitive information in training data. One major drawback of training deep neural networks with DPSGD is a reduction in the model's accuracy. In this paper, we propose an alternative method for preserving data privacy based on introducing noise through learnable probability distributions, which leads to a significant improvement in the utility of the resulting private models. We also demonstrate that normalization layers have a large beneficial impact on the performance of deep neural networks with noisy parameters. In particular, we show that contrary to general belief, a large amount of random noise can be added to the weights of neural networks without harming the performance, once the networks are augmented with normalization layers. We hypothesize that this robustness is a consequence of the scale invariance property of normalization operators. Building on these observations, we propose a new algorithmic technique for training deep neural networks under very low privacy budgets by sampling weights from Gaussian distributions and utilizing batch or layer normalization techniques to prevent performance degradation. Our method outperforms previous approaches, including DPSGD, by a substantial margin on a comprehensive set of experiments on Computer Vision and Natural Language Processing tasks. In particular, we obtain a 20 percent accuracy improvement over DPSGD on the MNIST and CIFAR10 datasets with DP-privacy budgets of $\varepsilon = 0.05$ and $\varepsilon = 2.0$, respectively. Our code is available online: https://github.com/uds-lsv/SIDP.