Understanding the inner working functionality of large-scale deep neural networks is challenging yet crucial in several high-stakes applications. Mechanistic inter- pretability is an emergent field that tackles this challenge, often by identifying human-understandable subgraphs in deep neural networks known as circuits. In vision-pretrained models, these subgraphs are usually interpreted by visualizing their node features through a popular technique called feature visualization. Recent works have analyzed the stability of different feature visualization types under the adversarial model manipulation framework. This paper starts by addressing limitations in existing works by proposing a novel attack called ProxPulse that simultaneously manipulates the two types of feature visualizations. Surprisingly, when analyzing these attacks under the umbrella of visual circuits, we find that visual circuits show some robustness to ProxPulse. We, therefore, introduce a new attack based on ProxPulse that unveils the manipulability of visual circuits, shedding light on their lack of robustness. The effectiveness of these attacks is validated using pre-trained AlexNet and ResNet-50 models on ImageNet.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material discovery. However, one limitation of GNNs in this context is the lack of useful uncertainty prediction methods, as this is critical to the material discovery pipeline. In this work, we show that uncertainty quantification for relaxed energy calculations is more complex than uncertainty quantification for other kinds of molecular property prediction, due to the effect that structure optimizations have on the error distribution. We propose that distribution-free techniques are more useful tools for assessing calibration, recalibrating, and developing uncertainty prediction methods for GNNs performing relaxed energy calculations. We also develop a relaxed energy task for evaluating uncertainty methods for equivariant GNNs, based on distribution-free recalibration and using the Open Catalyst Project dataset. We benchmark a set of popular uncertainty prediction methods on this task, and show that latent distance methods, with our novel improvements, are the most well-calibrated and economical approach for relaxed energy calculations. Finally, we demonstrate that our latent space distance method produces results which align with our expectations on a clustering example, and on specific equation of state and adsorbate coverage examples from outside the training dataset.
Distributed deep neural networks (DNNs) have emerged as a key technique to reduce communication overhead without sacrificing performance in edge computing systems. Recently, entropy coding has been introduced to further reduce the communication overhead. The key idea is to train the distributed DNN jointly with an entropy model, which is used as side information during inference time to adaptively encode latent representations into bit streams with variable length. To the best of our knowledge, the resilience of entropy models is yet to be investigated. As such, in this paper we formulate and investigate the resilience of entropy models to intentional interference (e.g., adversarial attacks) and unintentional interference (e.g., weather changes and motion blur). Through an extensive experimental campaign with 3 different DNN architectures, 2 entropy models and 4 rate-distortion trade-off factors, we demonstrate that the entropy attacks can increase the communication overhead by up to 95%. By separating compression features in frequency and spatial domain, we propose a new defense mechanism that can reduce the transmission overhead of the attacked input by about 9% compared to unperturbed data, with only about 2% accuracy loss. Importantly, the proposed defense mechanism is a standalone approach which can be applied in conjunction with approaches such as adversarial training to further improve robustness. Code will be shared for reproducibility.
Continual learning (CL) addresses the problem of catastrophic forgetting in neural networks, which occurs when a trained model tends to overwrite previously learned information, when presented with a new task. CL aims to instill the lifelong learning characteristic of humans in intelligent systems, making them capable of learning continuously while retaining what was already learned. Current CL problems involve either learning new domains (domain-incremental) or new and previously unseen classes (class-incremental). However, general learning processes are not just limited to learning information, but also refinement of existing information. In this paper, we define CLEO - Continual Learning of Evolving Ontologies, as a new incremental learning setting under CL to tackle evolving classes. CLEO is motivated by the need for intelligent systems to adapt to real-world ontologies that change over time, such as those in autonomous driving. We use Cityscapes, PASCAL VOC, and Mapillary Vistas to define the task settings and demonstrate the applicability of CLEO. We highlight the shortcomings of existing CIL methods in adapting to CLEO and propose a baseline solution, called Modelling Ontologies (MoOn). CLEO is a promising new approach to CL that addresses the challenge of evolving ontologies in real-world applications. MoOn surpasses previous CL approaches in the context of CLEO.
The development of a satisfying and rigorous mathematical understanding of the performance of neural networks is a major challenge in artificial intelligence. Against this background, we study the expressive power of neural networks through the example of the classical NP-hard Knapsack Problem. Our main contribution is a class of recurrent neural networks (RNNs) with rectified linear units that are iteratively applied to each item of a Knapsack instance and thereby compute optimal or provably good solution values. We show that an RNN of depth four and width depending quadratically on the profit of an optimum Knapsack solution is sufficient to find optimum Knapsack solutions. We also prove the following tradeoff between the size of an RNN and the quality of the computed Knapsack solution: for Knapsack instances consisting of $n$ items, an RNN of depth five and width $w$ computes a solution of value at least $1-\mathcal{O}(n^2/\sqrt{w})$ times the optimum solution value. Our results build upon a classical dynamic programming formulation of the Knapsack Problem as well as a careful rounding of profit values that are also at the core of the well-known fully polynomial-time approximation scheme for the Knapsack Problem. A carefully conducted computational study qualitatively supports our theoretical size bounds. Finally, we point out that our results can be generalized to many other combinatorial optimization problems that admit dynamic programming solution methods, such as various Shortest Path Problems, the Longest Common Subsequence Problem, and the Traveling Salesperson Problem.
Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power. Early works in this domain mainly focus on studying the graph isomorphism recognition ability of GNNs, and recent works try to leverage the properties such as subgraph counting and connectivity learning to characterize the expressive power of GNNs, which are more practical and closer to real-world. However, no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a first survey for models for enhancing expressive power under different forms of definition. Concretely, the models are reviewed based on three categories, i.e., Graph feature enhancement, Graph topology enhancement, and GNNs architecture enhancement.
Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.
Graph neural networks generalize conventional neural networks to graph-structured data and have received widespread attention due to their impressive representation ability. In spite of the remarkable achievements, the performance of Euclidean models in graph-related learning is still bounded and limited by the representation ability of Euclidean geometry, especially for datasets with highly non-Euclidean latent anatomy. Recently, hyperbolic space has gained increasing popularity in processing graph data with tree-like structure and power-law distribution, owing to its exponential growth property. In this survey, we comprehensively revisit the technical details of the current hyperbolic graph neural networks, unifying them into a general framework and summarizing the variants of each component. More importantly, we present various HGNN-related applications. Last, we also identify several challenges, which potentially serve as guidelines for further flourishing the achievements of graph learning in hyperbolic spaces.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.
Small data challenges have emerged in many learning problems, since the success of deep neural networks often relies on the availability of a huge amount of labeled data that is expensive to collect. To address it, many efforts have been made on training complex models with small data in an unsupervised and semi-supervised fashion. In this paper, we will review the recent progresses on these two major categories of methods. A wide spectrum of small data models will be categorized in a big picture, where we will show how they interplay with each other to motivate explorations of new ideas. We will review the criteria of learning the transformation equivariant, disentangled, self-supervised and semi-supervised representations, which underpin the foundations of recent developments. Many instantiations of unsupervised and semi-supervised generative models have been developed on the basis of these criteria, greatly expanding the territory of existing autoencoders, generative adversarial nets (GANs) and other deep networks by exploring the distribution of unlabeled data for more powerful representations. While we focus on the unsupervised and semi-supervised methods, we will also provide a broader review of other emerging topics, from unsupervised and semi-supervised domain adaptation to the fundamental roles of transformation equivariance and invariance in training a wide spectrum of deep networks. It is impossible for us to write an exclusive encyclopedia to include all related works. Instead, we aim at exploring the main ideas, principles and methods in this area to reveal where we are heading on the journey towards addressing the small data challenges in this big data era.
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