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Methods to certify the robustness of neural networks in the presence of input uncertainty are vital in safety-critical settings. Most certification methods in the literature are designed for adversarial or worst-case inputs, but researchers have recently shown a need for methods that consider random input noise. In this paper, we examine the setting where inputs are subject to random noise coming from an arbitrary probability distribution. We propose a robustness certification method that lower-bounds the probability that network outputs are safe. This bound is cast as a chance-constrained optimization problem, which is then reformulated using input-output samples to make the optimization constraints tractable. We develop sufficient conditions for the resulting optimization to be convex, as well as on the number of samples needed to make the robustness bound hold with overwhelming probability. We show for a special case that the proposed optimization reduces to an intuitive closed-form solution. Case studies on synthetic, MNIST, and CIFAR-10 networks experimentally demonstrate that this method is able to certify robustness against various input noise regimes over larger uncertainty regions than prior state-of-the-art techniques.

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We contribute to a better understanding of the class of functions that can be represented by a neural network with ReLU activations and a given architecture. Using techniques from mixed-integer optimization, polyhedral theory, and tropical geometry, we provide a mathematical counterbalance to the universal approximation theorems which suggest that a single hidden layer is sufficient for learning any function. In particular, we investigate whether the class of exactly representable functions strictly increases by adding more layers (with no restrictions on size). As a by-product of our investigations, we settle an old conjecture about piecewise linear functions by Wang and Sun (2005) in the affirmative. We also present upper bounds on the sizes of neural networks required to represent functions with logarithmic depth.

With the increasing complexity of software permeating critical domains such as autonomous driving, new challenges are emerging in the ways the engineering of these systems needs to be rethought. Autonomous driving is expected to continue gradually overtaking all critical driving functions, which is adding to the complexity of the certification of autonomous driving systems. As a response, certification authorities have already started introducing strategies for the certification of autonomous vehicles and their software. But even with these new approaches, the certification procedures are not fully catching up with the dynamism and unpredictability of future autonomous systems, and thus may not necessarily guarantee compliance with all requirements imposed on these systems. In this paper, we identified a number of issues with the proposed certification strategies, which may impact the systems substantially. For instance, we emphasize the lack of adequate reflection on software changes occurring in constantly changing systems, or low support for systems' cooperation needed for the management of coordinated moves. Other shortcomings concern the narrow focus of the awarded certification by neglecting aspects such as the ethical behavior of autonomous software systems. The contribution of this paper is threefold. First, we discuss the motivation for the need to modify the current certification processes for autonomous driving systems. Second, we analyze current international standards used in the certification processes towards requirements derived from the requirements laid on dynamic software ecosystems and autonomous systems themselves. Third, we outline a concept for incorporating the missing parts into the certification procedure.

Deep neural networks are becoming increasingly popular in approximating arbitrary functions from noisy data. But wider adoption is being hindered by the need to explain such models and to impose additional constraints on them. Monotonicity constraint is one of the most requested properties in real-world scenarios and is the focus of this paper. One of the oldest ways to construct a monotonic fully connected neural network is to constrain its weights to be non-negative while employing a monotonic activation function. Unfortunately, this construction does not work with popular non-saturated activation functions such as ReLU, ELU, SELU etc, as it can only approximate convex functions. We show this shortcoming can be fixed by employing the original activation function for a part of the neurons in the layer, and employing its point reflection for the other part. Our experiments show this approach of building monotonic deep neural networks have matching or better accuracy when compared to other state-of-the-art methods such as deep lattice networks or monotonic networks obtained by heuristic regularization. This method is the simplest one in the sense of having the least number of parameters, not requiring any modifications to the learning procedure or steps post-learning steps.

Understanding generalization is crucial to confidently engineer and deploy machine learning models, especially when deployment implies a shift in the data domain. For such domain adaptation problems, we seek generalization bounds which are tractably computable and tight. If these desiderata can be reached, the bounds can serve as guarantees for adequate performance in deployment. However, in applications where deep neural networks are the models of choice, deriving results which fulfill these remains an unresolved challenge; most existing bounds are either vacuous or has non-estimable terms, even in favorable conditions. In this work, we evaluate existing bounds from the literature with potential to satisfy our desiderata on domain adaptation image classification tasks, where deep neural networks are preferred. We find that all bounds are vacuous and that sample generalization terms account for much of the observed looseness, especially when these terms interact with measures of domain shift. To overcome this and arrive at the tightest possible results, we combine each bound with recent data-dependent PAC-Bayes analysis, greatly improving the guarantees. We find that, when domain overlap can be assumed, a simple importance weighting extension of previous work provides the tightest estimable bound. Finally, we study which terms dominate the bounds and identify possible directions for further improvement.

We consider the Bayesian optimal filtering problem: i.e. estimating some conditional statistics of a latent time-series signal from an observation sequence. Classical approaches often rely on the use of assumed or estimated transition and observation models. Instead, we formulate a generic recurrent neural network framework and seek to learn directly a recursive mapping from observational inputs to the desired estimator statistics. The main focus of this article is the approximation capabilities of this framework. We provide approximation error bounds for filtering in general non-compact domains. We also consider strong time-uniform approximation error bounds that guarantee good long-time performance. We discuss and illustrate a number of practical concerns and implications of these results.

With the rising complexity of numerous novel applications that serve our modern society comes the strong need to design efficient computing platforms. Designing efficient hardware is, however, a complex multi-objective problem that deals with multiple parameters and their interactions. Given that there are a large number of parameters and objectives involved in hardware design, synthesizing all possible combinations is not a feasible method to find the optimal solution. One promising approach to tackle this problem is statistical modeling of a desired hardware performance. Here, we propose a model-based active learning approach to solve this problem. Our proposed method uses Bayesian models to characterize various aspects of hardware performance. We also use transfer learning and Gaussian regression bootstrapping techniques in conjunction with active learning to create more accurate models. Our proposed statistical modeling method provides hardware models that are sufficiently accurate to perform design space exploration as well as performance prediction simultaneously. We use our proposed method to perform design space exploration and performance prediction for various hardware setups, such as micro-architecture design and OpenCL kernels for FPGA targets. Our experiments show that the number of samples required to create performance models significantly reduces while maintaining the predictive power of our proposed statistical models. For instance, in our performance prediction setting, the proposed method needs 65\% fewer samples to create the model, and in the design space exploration setting, our proposed method can find the best parameter settings by exploring less than 50 samples.

Graph neural networks (GNNs) are de facto standard deep learning architectures for machine learning on graphs. This has led to a large body of work analyzing the capabilities and limitations of these models, particularly pertaining to their representation and extrapolation capacity. We offer a novel theoretical perspective on the representation and extrapolation capacity of GNNs, by answering the question: how do GNNs behave as the number of graph nodes become very large? Under mild assumptions, we show that when we draw graphs of increasing size from the Erd\H{o}s-R\'enyi model, the probability that such graphs are mapped to a particular output by a class of GNN classifiers tends to either zero or to one. This class includes the popular graph convolutional network architecture. The result establishes 'zero-one laws' for these GNNs, and analogously to other convergence laws, entails theoretical limitations on their capacity. We empirically verify our results, observing that the theoretical asymptotic limits are evident already on relatively small graphs.

While existing work in robust deep learning has focused on small pixel-level $\ell_p$ norm-based perturbations, this may not account for perturbations encountered in several real world settings. In many such cases although test data might not be available, broad specifications about the types of perturbations (such as an unknown degree of rotation) may be known. We consider a setup where robustness is expected over an unseen test domain that is not i.i.d. but deviates from the training domain. While this deviation may not be exactly known, its broad characterization is specified a priori, in terms of attributes. We propose an adversarial training approach which learns to generate new samples so as to maximize exposure of the classifier to the attributes-space, without having access to the data from the test domain. Our adversarial training solves a min-max optimization problem, with the inner maximization generating adversarial perturbations, and the outer minimization finding model parameters by optimizing the loss on adversarial perturbations generated from the inner maximization. We demonstrate the applicability of our approach on three types of naturally occurring perturbations -- object-related shifts, geometric transformations, and common image corruptions. Our approach enables deep neural networks to be robust against a wide range of naturally occurring perturbations. We demonstrate the usefulness of the proposed approach by showing the robustness gains of deep neural networks trained using our adversarial training on MNIST, CIFAR-10, and a new variant of the CLEVR dataset.

Graph convolutional networks (GCNs) have been successfully applied in node classification tasks of network mining. However, most of these models based on neighborhood aggregation are usually shallow and lack the "graph pooling" mechanism, which prevents the model from obtaining adequate global information. In order to increase the receptive field, we propose a novel deep Hierarchical Graph Convolutional Network (H-GCN) for semi-supervised node classification. H-GCN first repeatedly aggregates structurally similar nodes to hyper-nodes and then refines the coarsened graph to the original to restore the representation for each node. Instead of merely aggregating one- or two-hop neighborhood information, the proposed coarsening procedure enlarges the receptive field for each node, hence more global information can be learned. Comprehensive experiments conducted on public datasets demonstrate the effectiveness of the proposed method over the state-of-art methods. Notably, our model gains substantial improvements when only a few labeled samples are provided.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

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