Graph generative models have been extensively studied in the data mining literature. While traditional techniques are based on generating structures that adhere to a pre-decided distribution, recent techniques have shifted towards learning this distribution directly from the data. While learning-based approaches have imparted significant improvement in quality, some limitations remain to be addressed. First, learning graph distributions introduces additional computational overhead, which limits their scalability to large graph databases. Second, many techniques only learn the structure and do not address the need to also learn node and edge labels, which encode important semantic information and influence the structure itself. Third, existing techniques often incorporate domain-specific rules and lack generalizability. Fourth, the experimentation of existing techniques is not comprehensive enough due to either using weak evaluation metrics or focusing primarily on synthetic or small datasets. In this work, we develop a domain-agnostic technique called GraphGen to overcome all of these limitations. GraphGen converts graphs to sequences using minimum DFS codes. Minimum DFS codes are canonical labels and capture the graph structure precisely along with the label information. The complex joint distributions between structure and semantic labels are learned through a novel LSTM architecture. Extensive experiments on million-sized, real graph datasets show GraphGen to be 4 times faster on average than state-of-the-art techniques while being significantly better in quality across a comprehensive set of 11 different metrics. Our code is released at https://github.com/idea-iitd/graphgen.

The goal of this paper is to present a method for simultaneous trajectory and local stabilizing policy optimization to generate local policies for trajectory-centric model-based reinforcement learning (MBRL). This is motivated by the fact that global policy optimization for non-linear systems could be a very challenging problem both algorithmically and numerically. However, a lot of robotic manipulation tasks are trajectory-centric, and thus do not require a global model or policy. Due to inaccuracies in the learned model estimates, an open-loop trajectory optimization process mostly results in very poor performance when used on the real system. Motivated by these problems, we try to formulate the problem of trajectory optimization and local policy synthesis as a single optimization problem. It is then solved simultaneously as an instance of nonlinear programming. We provide some results for analysis as well as achieved performance of the proposed technique under some simplifying assumptions.

Optimizing fluid-dynamic performance is an important engineering task. Traditionally, experts design shapes based on empirical estimations and verify them through expensive experiments. This costly process, both in terms of time and space, may only explore a limited number of shapes and lead to sub-optimal designs. In this research, a test-proven deep learning architecture is applied to predict the performance under various restrictions and search for better shapes by optimizing the learned prediction function. The major challenge is the vast amount of data points Deep Neural Network (DNN) demands, which is improvident to simulate. To remedy this drawback, a Frequentist active learning is used to explore regions of the output space that DNN predicts promising. This operation reduces the number of data samples demanded from ~8000 to 625. The final stage, a user interface, made the model capable of optimizing with given user input of minimum area and viscosity. Flood fill is used to define a boundary area function so that the optimal shape does not bypass the minimum area. Stochastic Gradient Langevin Dynamics (SGLD) is employed to make sure the ultimate shape is optimized while circumventing the required area. Jointly, shapes with extremely low drags are found explored by a practical user interface with no human domain knowledge and modest computation overhead.

Uncertainty quantification for deep learning is a challenging open problem. Bayesian statistics offer a mathematically grounded framework to reason about uncertainties; however, approximate posteriors for modern neural networks still require prohibitive computational costs. We propose a family of algorithms which split the classification task into two stages: representation learning and uncertainty estimation. We compare four specific instances, where uncertainty estimation is performed via either an ensemble of Stochastic Gradient Descent or Stochastic Gradient Langevin Dynamics snapshots, an ensemble of bootstrapped logistic regressions, or via a number of Monte Carlo Dropout passes. We evaluate their performance in terms of \emph{selective} classification (risk-coverage), and their ability to detect out-of-distribution samples. Our experiments suggest there is limited value in adding multiple uncertainty layers to deep classifiers, and we observe that these simple methods strongly outperform a vanilla point-estimate SGD in some complex benchmarks like ImageNet.

January 23, 2020 Abstract The optimal binning is the optimal discretization of a variable into bins given a discrete or continuous numeric target. We present a rigorous and extensible mathematical programming formulation to solving the optimal binning problem for a binary, continuous and multi-class target type, incorporating constraints not previously addressed. For all three target types, we introduce a convex mixed-integer programming formulation. Several algorithmic enhancements such as automatic determination of the most suitable monotonic trend via a Machine-Learning-based classifier and implementation aspects are thoughtfully discussed. The new mathematical programming formulations are carefully implemented in the open-source python library OptBinning. 1 Introduction Binning (grouping or bucketing) is a technique to discretize the values of a continuous variable into bins (groups or buckets). From a modeling perspective, the binning technique may address prevalent data issues such as the handling of missing values, the presence of outliers and statistical noise, and data scaling. Furthermore, the binning process is a valuable interpretable tool to enhance the understanding of the nonlinear dependence between a variable and a given target while reducing the model complexity. Ultimately, resulting bins can be used to perform data transformations. Binning techniques are extensively used in machine learning applications, exploratory data analysis and as an algorithm to speed up learning tasks; recently, binning has been applied to accelerate learning in gradient boosting decision tree [12].

Deep learning methods are widely regarded as indispensable when it comes to designing perception pipelines for autonomous agents such as robots, drones or automated vehicles. The main reasons, however, for deep learning not being used for autonomous agents at large scale already are safety concerns. Deep learning approaches typically exhibit a black-box behavior which makes it hard for them to be evaluated with respect to safety-critical aspects. While there have been some work on safety in deep learning, most papers typically focus on high-level safety concerns. In this work, we seek to dive into the safety concerns of deep learning methods and present a concise enumeration on a deeply technical level. Additionally, we present extensive discussions on possible mitigation methods and give an outlook regarding what mitigation methods are still missing in order to facilitate an argumentation for the safety of a deep learning method.

In this paper, we propose an adaptive group lasso procedure to efficiently estimate structural breaks in cointegrating regressions. It is well-known that the group lasso estimator is not simultaneously estimation consistent and model selection consistent in structural break settings. Hence, we use a first step group lasso estimation of a diverging number of breakpoint candidates to produce weights for a second adaptive group lasso estimation. We prove that parameter changes are estimated consistently by group lasso if it is tuned correctly and show that the number of estimated breaks is greater than the true number but still sufficiently close to it. Then, we use these results and prove that the adaptive group lasso has oracle properties if weights are obtained from our first step estimation and the tuning parameter satisfies some further restrictions. Simulation results show that the proposed estimator delivers the expected results. An economic application to the long-run US money demand function demonstrates the practical importance of this methodology.

--Enabling cellular connectivity for drones introduces a wide set of challenges and opportunities. Communication of cellular-connected drones is influenced by 3-dimensional mobility and line-of-sight channel characteristics which results in higher number of handovers with increasing altitude. Our cell planning simulations in coexistence of aerial and terrestrial users indicate that the severe interference from drones to base stations is a major challenge for uplink communications of terrestrial users. Here, we first present the major challenges in coexistence of terrestrial and drone communications by considering real geographical network data for Stockholm. Then, we derive analytical models for the key performance indicators (KPIs), including communications delay and interference over cellular networks, and formulate the handover and radio resource management (H-RRM) optimization problem. Afterwards, we transform this problem into a machine learning problem, and propose a deep reinforcement learning solution to solve H-RRM problem. Especially, the heat-maps of handover decisions in different drone's altitudes/speeds have been presented, which promote a revision of the legacy handover schemes and redefining the boundaries of cells in the sky. I NTRODUCTION Commercial drone applications have attracted profound interest in recent years in a wide set of use-cases, including area monitoring, surveillance, and delivery [1].

It has been demonstrated that adversarial graphs, i.e., graphs with imperceptible perturbations added, can cause deep graph models to fail on node/graph classification tasks. In this paper, we extend adversarial graphs to the problem of community detection which is much more difficult. We focus on black-box attack and aim to hide targeted individuals from the detection of deep graph community detection models, which has many applications in real-world scenarios, for example, protecting personal privacy in social networks and understanding camouflage patterns in transaction networks. We propose an iterative learning framework that takes turns to update two modules: one working as the constrained graph generator and the other as the surrogate community detection model. We also find that the adversarial graphs generated by our method can be transferred to other learning based community detection models.

Existing graph neural networks may suffer from the "suspended animation problem" when the model architecture goes deep. Meanwhile, for some graph learning scenarios, e.g., nodes with text/image attributes or graphs with long-distance node correlations, deep graph neural networks will be necessary for effective graph representation learning. In this paper, we propose a new graph neural network, namely DIFNET (Graph Diffusive Neural Network), for graph representation learning and node classification. DIFNET utilizes both neural gates and graph residual learning for node hidden state modeling, and includes an attention mechanism for node neighborhood information diffusion. Extensive experiments will be done in this paper to compare DIFNET against several state-of-the-art graph neural network models. The experimental results can illustrate both the learning performance advantages and effectiveness of DIFNET, especially in addressing the "suspended animation problem".