Explainable, Stable, and Scalable Graph Convolutional Networks for Learning Graph Representation
National Tsing Hua University（国立清华大学）
Ping-En Lu, Cheng-Shang Chang
备注：
This manuscript was submitted to IEEE Transactions on Neural Networks and Learning Systems (IEEE TNNLS) on September 22, 2020, and is being under reviewed. This work was supported by the Ministry of Science and Technology (MOST) of Taiwan (R.O.C.) under Project MOST108-2221-E007-016-MY3. (Corresponding author: Ping-En Lu.)
The network embedding problem that maps nodes in a graph to vectors in Euclidean space can be very useful for addressing several important tasks on a graph. Recently, graph neural networks (GNNs) have been proposed for solving such a problem. However, most embedding algorithms and GNNs are difficult to interpret and do not scale well to handle millions of nodes. In this paper, we tackle the problem from a new perspective based on the equivalence of three constrained optimization problems: the network embedding problem, the trace maximization problem of the modularity matrix in a sampled graph, and the matrix factorization problem of the modularity matrix in a sampled graph. The optimal solutions to these three problems are the dominant eigenvectors of the modularity matrix. We proposed two algorithms that belong to a special class of graph convolutional networks (GCNs) for solving these problems: (i) Clustering As Feature Embedding GCN (CAFE-GCN) and (ii) sphere-GCN. Both algorithms are stable trace maximization algorithms, and they yield good approximations of dominant eigenvectors. Moreover, there are linear-time implementations for sparse graphs. In addition to solving the network embedding problem, both proposed GCNs are capable of performing dimensionality reduction. Various experiments are conducted to evaluate our proposed GCNs and show that our proposed GCNs outperform almost all the baseline methods. Moreover, CAFE-GCN could be benefited from the labeled data and have tremendous improvements in various performance metrics.
At online retail platforms, it is crucial to actively detect the risks of transactions to improve customer experience and minimize financial loss. In this work, we propose xFraud, an explainable fraud transaction prediction framework which is mainly composed of a detector and an explainer. The xFraud detector can effectively and efficiently predict the legitimacy of incoming transactions. Specifically, it utilizes a heterogeneous graph neural network to learn expressive representations from the informative heterogeneously typed entities in the transaction logs. The explainer in xFraud can gene…
Auto-Configured Explainable Graph Neural Networks for Multi-Site Pollution Prediction
University of Science and Technology of Oran-Mohamed Boudiaf (USTO-MB)（奥兰科技大学-穆罕默德·布迪亚夫）；King Abdullah University of Science and Technology (KAUST)（阿卜杜拉国王科技大学）
Texas A&M University（德克萨斯农工大学）；Rice University（莱斯大学）；The University of Texas at Austin（德克萨斯大学奥斯汀分校）；University of Pennsylvania（宾夕法尼亚大学）；US Army Research Laboratory（美国陆军研究实验室）
In this paper, we present a perception-action-communication loop design using Vision-based Graph Aggregation and Inference (VGAI). This multi-agent decentralized learning-to-control framework maps raw visual observations to agent actions, aided by local communication among neighboring agents. Our framework is implemented by a cascade of a convolutional and a graph neural network (CNN / GNN), addressing agent-level visual perception and feature learning, as well as swarm-level communication, local information aggregation and agent action inference, respectively. By jointly training the CNN and …
Deep learning applied to weather forecasting has started gaining popularity because of the progress achieved by data-driven models. The present paper compares two different deep learning architectures to perform weather prediction on daily data gathered from 18 cities across Europe and spanned over a period of 15 years. We propose the Deep Attention Unistream Multistream (DAUM) networks that investigate different types of input representations (i.e. tensorial unistream vs. multistream ) as well as the incorporation of the attention mechanism. In particular, we show that adding a self-attention…
Convolutional neural networks (CNN) are known for their excellent feature extraction capabilities to enable the learning of models from data, yet are used as black boxes. An interpretation of the convolutional filtres and associated features can help to establish an understanding of CNN to distinguish various classes. In this work, we focus on the explainability of a CNN model called as cnnexplain that is used for Covid-19 and non-Covid-19 classification with a focus on the interpretability of features by the convolutional filters, and how these features contribute to classification. Specifica…
FOLD-RM is an automated inductive learning algorithm for learning default rules for mixed (numerical and categorical) data. It generates an (explainable) answer set programming (ASP) rule set for multi-category classification tasks while maintaining efficiency and scalability. The FOLD-RM algorithm is competitive in performance with the widely-used, state-of-the-art algorithms such as XGBoost and multi-layer perceptrons (MLPs), however, unlike these algorithms, the FOLD-RM algorithm produces an explainable model. FOLD-RM outperforms XGBoost on some datasets, particularly large ones. FOLD-RM al…
National Taiwan University（台湾大学）；Soochow University（东吴大学）
Candlesticks are graphical representations of price movements for a given period. The traders can discovery the trend of the asset by looking at the candlestick patterns. Although deep convolutional neural networks have achieved great success for recognizing the candlestick patterns, their reasoning hides inside a black box. The traders cannot make sure what the model has learned. In this contribution, we provide a framework which is to explain the reasoning of the learned model determining the specific candlestick patterns of time series. Based on the local search adversarial attacks, we show…
Explainable convolutional neural network model provides an alternative genome-wide association perspective on mutations in SARS-CoV-2
University of Tennessee at Chattanooga（田纳西大学查塔努加分校）；North Carolina Agricultural and Technical State University（北卡罗来纳农工州立大学）；Shenandoah University（谢南多厄大学）；Catholic University of America（美国天主教大学）；Old Dominion University（奥多明尼昂大学）
Multivariate Time Series (MTS) classification has gained importance over the past decade with the increase in the number of temporal datasets in multiple domains. The current state-of-the-art MTS classifier is a heavyweight deep learning approach, which outperforms the second-best MTS classifier only on large datasets. Moreover, this deep learning approach cannot provide faithful explanations as it relies on post hoc model-agnostic explainability methods, which could prevent its use in numerous applications. In this paper, we present XCM, an eXplainable Convolutional neural network for MTS cla…
In this paper we introduce the temporally factorized 3D convolution (3TConv) as an interpretable alternative to the regular 3D convolution (3DConv). In a 3TConv the 3D convolutional filter is obtained by learning a 2D filter and a set of temporal transformation parameters, resulting in a sparse filter where the 2D slices are sequentially dependent on each other in the temporal dimension. We demonstrate that 3TConv learns temporal transformations that afford a direct interpretation. The temporal parameters can be used in combination with various existing 2D visualization methods. We also show t…
Diagnosing Autism Spectrum Disorder (ASD) is a challenging problem, and is based purely on behavioral descriptions of symptomology (DSM-5/ICD-10), and requires informants to observe children with disorder across different settings (e.g. home, school). Numerous limitations (e.g., informant discrepancies, lack of adherence to assessment guidelines, informant biases) to current diagnostic practices have the potential to result in over-, under-, or misdiagnosis of the disorder. Advances in neuroimaging technologies are providing a critical step towards a more objective assessment of the disorder. …
IBM Research Zurich（IBM苏黎世研究院）；ETH Zurich（苏黎世联邦理工学院）；University of Zurich（苏黎世大学）；RWTH Aachen University（亚琛工业大学）；Heidelberg University（海德堡大学）
In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure in the form of a SMILES sequence, gene expression profiles of tumors and prior knowledge on intracellular interactions from protein-protein interaction networks. We demonstrate that our multiscale convolutional attention-based (MCA) encoder significantly outperforms a baseline mod…
We present FOLD-SE, an efficient, explainable machine learning algorithm for classification tasks given tabular data containing numerical and categorical values. FOLD-SE generates a set of default rules-essentially a stratified normal logic program-as an (explainable) trained model. Explainability provided by FOLD-SE is scalable, meaning that regardless of the size of the dataset, the number of learned rules and learned literals stay quite small while good accuracy in classification is maintained. A model with smaller number of rules and literals is easier to understand for human beings. FOLD-…
Colorado State University（科罗拉多州立大学）；Cooperative Institute for Research in the Atmosphere（大气研究合作研究所）
Convolutional neural networks (CNNs) have recently attracted great attention in geoscience due to their ability to capture non-linear system behavior and extract predictive spatiotemporal patterns. Given their black-box nature however, and the importance of prediction explainability, methods of explainable artificial intelligence (XAI) are gaining popularity as a means to explain the CNN decision-making strategy. Here, we establish an intercomparison of some of the most popular XAI methods and investigate their fidelity in explaining CNN decisions for geoscientific applications. Our goal is to…
Deep unfolding of MCMC kernels: scalable, modular & explainable GANs for high-dimensional posterior sampling
Maxwell Institute for Mathematical Sciences（麦克斯韦数学科学研究所）；School of Mathematical and Computer Sciences, Heriot-Watt University（赫瑞-瓦特大学数学与计算机科学学院）；School of Mathematics, University of Edinburgh（爱丁堡大学数学学院）
EU-Nets: Enhanced, Explainable and Parsimonious U-Nets
School of Information and Software Engineering, University of Electronic Science and Technology of China（电子科技大学信息与软件工程学院）；Department of Computer Science and Technology, University of Cambridge（剑桥大学计算机科学与技术系）
Explainable and Hardware-Efficient Jamming Detection for 5G Networks Using the Convolutional Tsetlin Machine
Center of Artificial Intelligence Research, University of Agder（人工智能研究中心，阿格德大学）；University of Agder（阿格德大学）；School of Electrical Engineering and Computer Science, University of Ottawa（电气工程与计算机科学学院，渥太华大学）
Oden Institute for Computational Engineering and Sciences（奥登计算工程与科学研究所）；Department of Computer Science（计算机科学系）；School of Information（信息学院）；University of Texas, Austin（得克萨斯大学奥斯汀分校）
Partial Differential Equations are infinite dimensional encoded representations of physical processes. However, imbibing multiple observation data towards a coupled representation presents significant challenges. We present a fully convolutional architecture that captures the invariant structure of the domain to reconstruct the observable system. The proposed architecture is significantly low-weight compared to other networks for such problems. Our intent is to learn coupled dynamic processes interpreted as deviations from true kernels representing isolated processes for model-adaptivity. Expe…
Given a convolutional dictionary underlying a set of observed signals, can a carefully designed auto-encoder recover the dictionary in the presence of noise? We introduce an auto-encoder architecture, termed constrained recurrent sparse auto-encoder (CRsAE), that answers this question in the affirmative. Given an input signal and an approximate dictionary, the encoder finds a sparse approximation using FISTA. The decoder reconstructs the signal by applying the dictionary to the output of the encoder. The encoder and decoder in CRsAE parallel the sparse-coding and dictionary update steps in opt…
University of Essex（埃塞克斯大学）；University of Jaén（哈恩大学）
In recent years, neural networks and especially deep architectures have received substantial attention for EEG signal analysis in the field of brain-computer interfaces (BCIs). In this ongoing research area, the end-to-end models are more favoured than traditional approaches requiring signal transformation pre-classification. They can eliminate the need for prior information from experts and the extraction of handcrafted features. However, although several deep learning algorithms have been already proposed in the literature, achieving high accuracies for classifying motor movements or mental …
Carnegie Mellon University（卡内基梅隆大学）；Faculdade de Engenharia da Universidade do Porto（波尔图大学工程学院）；INESC TEC（葡萄牙系统与计算机工程研究所）
Is there an initialization for deep networks that requires no learning? ExplainFix adopts two design principles: the "fixed filters" principle that all spatial filter weights of convolutional neural networks can be fixed at initialization and never learned, and the "nimbleness" principle that only few network parameters suffice. We contribute (a) visual model-based explanations, (b) speed and accuracy gains, and (c) novel tools for deep convolutional neural networks. ExplainFix gives key insights that spatially fixed networks should have a steered initialization, that spatial convolution layer…
Scalable, Explainable and Provably Robust Anomaly Detection with One-Step Flow Matching
The Leiden Institute of Advanced Computer Science (LIACS), Leiden University（莱顿先进计算机科学研究所（LIACS）、莱顿大学）；Department of Computer Science, Rensselaer Polytechnic Institute（伦斯勒理工学院计算机科学系）；The Intelligent Computing Research Center, Great Bay University（大湾大学智能计算研究中心）
Cranfield University（克兰菲尔德大学）；University of Warwick（华威大学）；Alan Turing Institute（艾伦·图灵研究所）
Achieving transparency in black-box deep learning algorithms is still an open challenge. High dimensional features and decisions given by deep neural networks (NN) require new algorithms and methods to expose its mechanisms. Current state-of-the-art NN interpretation methods (e.g. Saliency maps, DeepLIFT, LIME, etc.) focus more on the direct relationship between NN outputs and inputs rather than the NN structure and operations itself. In current deep NN operations, there is uncertainty over the exact role played by neurons with fixed activation functions. In this paper, we achieve partially ex…
University of Science and Technology of China（中国科学技术大学）；Singapore Management University（新加坡管理大学）
Knowledge Graphs (KGs) are becoming increasingly essential infrastructures in many applications while suffering from incompleteness issues. The KG completion task (KGC) automatically predicts missing facts based on an incomplete KG. However, existing methods perform unsatisfactorily in real-world scenarios. On the one hand, their performance will dramatically degrade along with the increasing sparsity of KGs. On the other hand, the inference procedure for prediction is an untrustworthy black box. This paper proposes a novel explainable model for sparse KGC, compositing high-order reasoning int…
Large convolutional neural networks (CNN) can be difficult to train in the differentially private (DP) regime, since the optimization algorithms require a computationally expensive operation, known as the per-sample gradient clipping. We propose an efficient and scalable implementation of this clipping on convolutional layers, termed as the mixed ghost clipping, that significantly eases the private training in terms of both time and space complexities, without affecting the accuracy. The improvement in efficiency is rigorously studied through the first complexity analysis for the mixed ghost c…
The University of Georgia（佐治亚大学）；Innopolis University（因诺波利斯大学）
In recent years, analyzing task-based fMRI (tfMRI) data has become an essential tool for understanding brain function and networks. However, due to the sheer size of tfMRI data, its intrinsic complex structure, and lack of ground truth of underlying neural activities, modeling tfMRI data is hard and challenging. Previously proposed data-modeling methods including Independent Component Analysis (ICA) and Sparse Dictionary Learning only provided a weakly established model based on blind source separation under the strong assumption that original fMRI signals could be linearly decomposed into tim…
FOLD-R++ is a new inductive learning algorithm for binary classification tasks. It generates an (explainable) normal logic program for mixed type (numerical and categorical) data. We present a customized FOLD-R++ algorithm with the ranking framework, called FOLD-TR, that aims to rank new items following the ranking pattern in the training data. Like FOLD-R++, the FOLD-TR algorithm is able to handle mixed-type data directly and provide native justification to explain the comparison between a pair of items.
In the field of eXplainable AI (XAI), robust "blackbox" algorithms such as Convolutional Neural Networks (CNNs) are known for making high prediction performance. However, the ability to explain and interpret these algorithms still require innovation in the understanding of influential and, more importantly, explainable features that directly or indirectly impact the performance of predictivity. A number of methods existing in literature focus on visualization techniques but the concepts of explainability and interpretability still require rigorous definition. In view of the above needs, this p…
Federal Office for Information Security (BSI)（联邦信息安全办公室）
The nondeterminism of Deep Learning (DL) training algorithms and its influence on the explainability of neural network (NN) models are investigated in this work with the help of image classification examples. To discuss the issue, two convolutional neural networks (CNN) have been trained and their results compared. The comparison serves the exploration of the feasibility of creating deterministic, robust DL models and deterministic explainable artificial intelligence (XAI) in practice. Successes and limitation of all here carried out efforts are described in detail. The source code of the atta…
Nanyang Technological University（南洋理工大学）；National University of Singapore（新加坡国立大学）
We propose $\mathcal{T}$ruth $\mathcal{T}$able net ($\mathcal{TT}$net), a novel Convolutional Neural Network (CNN) architecture that addresses, by design, the open challenges of interpretability, formal verification, and logic gate conversion. $\mathcal{TT}$net is built using CNNs' filters that are equivalent to tractable truth tables and that we call Learning Truth Table (LTT) blocks. The dual form of LTT blocks allows the truth tables to be easily trained with gradient descent and makes these CNNs easy to interpret, verify and infer. Specifically, $\mathcal{TT}$net is a deep CNN model that c…
FOLD-R is an automated inductive learning algorithm for learning default rules for mixed (numerical and categorical) data. It generates an (explainable) answer set programming (ASP) rule set for classification tasks. We present an improved FOLD-R algorithm, called FOLD-R++, that significantly increases the efficiency and scalability of FOLD-R by orders of magnitude. FOLD-R++ improves upon FOLD-R without compromising or losing information in the input training data during the encoding or feature selection phase. The FOLD-R++ algorithm is competitive in performance with the widely-used XGBoost a…
We describe an explainable AI saliency map method for use with deep convolutional neural networks (CNN) that is much more efficient than popular fine-resolution gradient methods. It is also quantitatively similar or better in accuracy. Our technique works by measuring information at the end of each network scale which is then combined into a single saliency map. We describe how saliency measures can be made more efficient by exploiting Saliency Map Order Equivalence. We visualize individual scale/layer contributions by using a Layer Ordered Visualization of Information. This provides an intere…
On-device Deep Neural Networks (DNNs) have recently gained more attention due to the increasing computing power of the mobile devices and the number of applications in Computer Vision (CV), Natural Language Processing (NLP), and Internet of Things (IoTs). Unfortunately, the existing efficient convolutional neural network (CNN) architectures designed for CV tasks are not directly applicable to NLP tasks and the tiny Recurrent Neural Network (RNN) architectures have been designed primarily for IoT applications. In NLP applications, although model compression has seen initial success in on-device…
This paper presents Systolic-CNN, an OpenCL-defined scalable, run-time-flexible FPGA accelerator architecture, optimized for accelerating the inference of various convolutional neural networks (CNNs) in multi-tenancy cloud/edge computing. The existing OpenCL-defined FPGA accelerators for CNN inference are insufficient due to limited flexibility for supporting multiple CNN models at run time and poor scalability resulting in underutilized FPGA resources and limited computational parallelism. Systolic-CNN adopts a highly pipelined and paralleled 1-D systolic array architecture, which efficiently…
In this work, we propose three explainable deep learning architectures to automatically detect patients with Alzheimer`s disease based on their language abilities. The architectures use: (1) only the part-of-speech features; (2) only language embedding features and (3) both of these feature classes via a unified architecture. We use self-attention mechanisms and interpretable 1-dimensional ConvolutionalNeural Network (CNN) to generate two types of explanations of the model`s action: intra-class explanation and inter-class explanation. The inter-class explanation captures the relative importanc…
University of California, Los Angeles（加利福尼亚大学洛杉矶分校）
Unlike areas such as computer vision and speech recognition where convolutional and recurrent neural networks-based approaches have proven effective to the nature of the respective areas of application, deep learning (DL) still lacks a general approach suitable for the unique nature and challenges of RF systems such as radar, signals intelligence, electronic warfare, and communications. Existing approaches face problems in robustness, consistency, efficiency, repeatability and scalability. One of the main challenges in RF sensing such as radar target identification is the difficulty and cost o…
Imagination Technologies（想象力科技）；University of Warwick（华威大学）
Graph Convolutional Networks (GCNs) are extensively utilized for deep learning on graphs. The large data sizes of graphs and their vertex features make scalable training algorithms and distributed memory systems necessary. Since the convolution operation on graphs induces irregular memory access patterns, designing a memory- and communication-efficient parallel algorithm for GCN training poses unique challenges. We propose a highly parallel training algorithm that scales to large processor counts. In our solution, the large adjacency and vertex-feature matrices are partitioned among processors…
The Chinese University of Hong Kong（香港中文大学）；Huawei Technologies Co., Ltd.（华为技术有限公司）
In this work, we use an explainable convolutional neural network (NLS-Net) to solve an inverse problem of the nonlinear Schrödinger equation, which is widely used in fiber-optic communications. The landscape and minimizers of the non-convex loss function of the learning problem are studied empirically. It provides a guidance for choosing hyper-parameters of the method. The estimation error of the optimal solution is discussed in terms of expressive power of the NLS-Net and data. Besides, we compare the performance of several training algorithms that are popular in deep learning. It is shown th…
University of California, Berkeley（加州大学伯克利分校）；Berkeley AI Research（伯克利人工智能研究院）；Redwood Center（雷德伍德中心）
Flow-based generative models have become an important class of unsupervised learning approaches. In this work, we incorporate the key ideas of renormalization group (RG) and sparse prior distribution to design a hierarchical flow-based generative model, RG-Flow, which can separate information at different scales of images and extract disentangled representations at each scale. We demonstrate our method on synthetic multi-scale image datasets and the CelebA dataset, showing that the disentangled representations enable semantic manipulation and style mixing of the images at different scales. To …
Graph Convolutional Neural Network (GCNN) is a popular class of deep learning (DL) models in material science to predict material properties from the graph representation of molecular structures. Training an accurate and comprehensive GCNN surrogate for molecular design requires large-scale graph datasets and is usually a time-consuming process. Recent advances in GPUs and distributed computing open a path to reduce the computational cost for GCNN training effectively. However, efficient utilization of high performance computing (HPC) resources for training requires simultaneously optimizing l…
Government Technology Agency of Singapore（新加坡政府科技局）；Temple University（天普大学）；Senseable City Lab（可感知城市实验室）
Urban canopy cover is important to mitigate the impact of climate change. Yet, existing quantification of urban greenery is either manual and not scalable, or use traditional computer vision methods that are inaccurate. We train deep convolutional neural networks (DCNNs) on datasets used for self-driving cars to estimate urban greenery instead, and find that our semantic segmentation and direct end-to-end estimation method are more accurate and scalable, reducing mean absolute error of estimating the Green View Index (GVI) metric from 10.1% to 4.67%. With the revised DCNN methods, the Treepedi…
In current deep network architectures, deeper layers in networks tend to contain hundreds of independent neurons which makes it hard for humans to understand how they interact with each other. By organizing the neurons by correlation, humans can observe how clusters of neighbouring neurons interact with each other. In this paper, we propose a novel algorithm for back propagation, called Locality Guided Neural Network(LGNN) for training networks that preserves locality between neighbouring neurons within each layer of a deep network. Heavily motivated by Self-Organizing Map (SOM), the goal is t…
