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Neuroevolution has greatly promoted Deep Neural Network (DNN) architecture design and its applications, while there is a lack of methods available across different DNN types concerning both their scale and performance. In this study, we propose a self-adaptive neuroevolution (SANE) approach to automatically construct various lightweight DNN architectures for different tasks. One of the key settings in SANE is the search space defined by cells and organs self-adapted to different DNN types. Based on this search space, a constructive evolution strategy with uniform evolution settings and operations is designed to grow DNN architectures gradually. SANE is able to self-adaptively adjust evolution exploration and exploitation to improve search efficiency. Moreover, a speciation scheme is developed to protect evolution from early convergence by restricting selection competition within species. To evaluate SANE, we carry out neuroevolution experiments to generate different DNN architectures including convolutional neural network, generative adversarial network and long short-term memory. The results illustrate that the obtained DNN architectures could have smaller scale with similar performance compared to existing DNN architectures. Our proposed SANE provides an efficient approach to self-adaptively search DNN architectures across different types.

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The ability to accurately predict the opponent's behavior is central to the safety and efficiency of robotic systems in interactive settings, such as human-robot interaction and multi-robot teaming tasks. Unfortunately, robots often lack access to key information on which these predictions may hinge, such as opponent's goals, attention, and willingness to cooperate. Dual control theory addresses this challenge by treating unknown parameters of a predictive model as hidden states and inferring their values at runtime using information gathered during system operation. While able to optimally and automatically trade off exploration and exploitation, dual control is computationally intractable for general interactive motion planning. In this paper, we present a novel algorithmic approach to enable active uncertainty reduction for interactive motion planning based on the implicit dual control paradigm. Our approach relies on sampling-based approximation of stochastic dynamic programming, leading to a model predictive control problem. The resulting policy is shown to preserve the dual control effect for a broad class of predictive models with both continuous and categorical uncertainty. To ensure the safe operation of the interacting agents, we leverage a supervisory control scheme, oftentimes referred to as ``shielding'', which overrides the ego agent's dual control policy with a safety fallback strategy when a safety-critical event is imminent. We then augment the dual control framework with an improved variant of the recently proposed shielding-aware robust planning scheme, which proactively balances the nominal planning performance with the risk of high-cost emergency maneuvers triggered by low-probability opponent's behaviors. We demonstrate the efficacy of our approach with both simulated driving examples and hardware experiments using 1/10 scale autonomous vehicles.

Gradient-based meta-learning methods have primarily been applied to classical machine learning tasks such as image classification. Recently, PDE-solving deep learning methods, such as neural operators, are starting to make an important impact on learning and predicting the response of a complex physical system directly from observational data. Since the data acquisition in this context is commonly challenging and costly, the call of utilization and transfer of existing knowledge to new and unseen physical systems is even more acute. Herein, we propose a novel meta-learning approach for neural operators, which can be seen as transferring the knowledge of solution operators between governing (unknown) PDEs with varying parameter fields. Our approach is a provably universal solution operator for multiple PDE solving tasks, with a key theoretical observation that underlying parameter fields can be captured in the first layer of neural operator models, in contrast to typical final-layer transfer in existing meta-learning methods. As applications, we demonstrate the efficacy of our proposed approach on PDE-based datasets and a real-world material modeling problem, illustrating that our method can handle complex and nonlinear physical response learning tasks while greatly improving the sampling efficiency in unseen tasks.

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.

Normalization is known to help the optimization of deep neural networks. Curiously, different architectures require specialized normalization methods. In this paper, we study what normalization is effective for Graph Neural Networks (GNNs). First, we adapt and evaluate the existing methods from other domains to GNNs. Faster convergence is achieved with InstanceNorm compared to BatchNorm and LayerNorm. We provide an explanation by showing that InstanceNorm serves as a preconditioner for GNNs, but such preconditioning effect is weaker with BatchNorm due to the heavy batch noise in graph datasets. Second, we show that the shift operation in InstanceNorm results in an expressiveness degradation of GNNs for highly regular graphs. We address this issue by proposing GraphNorm with a learnable shift. Empirically, GNNs with GraphNorm converge faster compared to GNNs using other normalization. GraphNorm also improves the generalization of GNNs, achieving better performance on graph classification benchmarks.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.

Deep Convolutional Neural Networks (CNNs) are a special type of Neural Networks, which have shown state-of-the-art results on various competitive benchmarks. The powerful learning ability of deep CNN is largely achieved with the use of multiple non-linear feature extraction stages that can automatically learn hierarchical representation from the data. Availability of a large amount of data and improvements in the hardware processing units have accelerated the research in CNNs and recently very interesting deep CNN architectures are reported. The recent race in deep CNN architectures for achieving high performance on the challenging benchmarks has shown that the innovative architectural ideas, as well as parameter optimization, can improve the CNN performance on various vision-related tasks. In this regard, different ideas in the CNN design have been explored such as use of different activation and loss functions, parameter optimization, regularization, and restructuring of processing units. However, the major improvement in representational capacity is achieved by the restructuring of the processing units. Especially, the idea of using a block as a structural unit instead of a layer is gaining substantial appreciation. This survey thus focuses on the intrinsic taxonomy present in the recently reported CNN architectures and consequently, classifies the recent innovations in CNN architectures into seven different categories. These seven categories are based on spatial exploitation, depth, multi-path, width, feature map exploitation, channel boosting and attention. Additionally, it covers the elementary understanding of the CNN components and sheds light on the current challenges and applications of CNNs.

The goal of few-shot learning is to learn a classifier that generalizes well even when trained with a limited number of training instances per class. The recently introduced meta-learning approaches tackle this problem by learning a generic classifier across a large number of multiclass classification tasks and generalizing the model to a new task. Yet, even with such meta-learning, the low-data problem in the novel classification task still remains. In this paper, we propose Transductive Propagation Network (TPN), a novel meta-learning framework for transductive inference that classifies the entire test set at once to alleviate the low-data problem. Specifically, we propose to learn to propagate labels from labeled instances to unlabeled test instances, by learning a graph construction module that exploits the manifold structure in the data. TPN jointly learns both the parameters of feature embedding and the graph construction in an end-to-end manner. We validate TPN on multiple benchmark datasets, on which it largely outperforms existing few-shot learning approaches and achieves the state-of-the-art results.

Contextual word representations derived from pre-trained bidirectional language models (biLMs) have recently been shown to provide significant improvements to the state of the art for a wide range of NLP tasks. However, many questions remain as to how and why these models are so effective. In this paper, we present a detailed empirical study of how the choice of neural architecture (e.g. LSTM, CNN, or self attention) influences both end task accuracy and qualitative properties of the representations that are learned. We show there is a tradeoff between speed and accuracy, but all architectures learn high quality contextual representations that outperform word embeddings for four challenging NLP tasks. Additionally, all architectures learn representations that vary with network depth, from exclusively morphological based at the word embedding layer through local syntax based in the lower contextual layers to longer range semantics such coreference at the upper layers. Together, these results suggest that unsupervised biLMs, independent of architecture, are learning much more about the structure of language than previously appreciated.

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

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