Deeper-GXX: Deepening Arbitrary GNNs

Shallow GNNs tend to have sub-optimal performance dealing with large-scale graphs or graphs with missing features. Therefore, it is necessary to increase the depth (i.e., the number of layers) of GNNs to capture more latent knowledge of the input data. On the other hand, including more layers in GNNs typically decreases their performance due to, e.g., vanishing gradient and oversmoothing. Existing methods (e.g., PairNorm and DropEdge) mainly focus on addressing oversmoothing, but they suffer from some drawbacks such as requiring hard-to-acquire knowledge or having large training randomness. In addition, these methods simply incorporate ResNet to address vanishing gradient. They ignore an important fact: by stacking more and more layers with ResNet architecture, the information collected from faraway neighbors becomes dominant, compared with the information collected from the 1-hop and 2-hop neighbors, thus resulting in severe performance degradation. In this paper, we first go deep into the architecture of ResNet and analyze why ResNet is not best suited for deeper GNNs. Then we propose a new residual architecture to attenuate the negative impact caused by ResNet. To address the drawbacks of these existing methods, we introduce the Topology-guided Graph Contrastive Loss named TGCL. It utilizes node topological information and pulls the connected node pairs closer via contrastive learning regularization to obtain discriminative node representations. Combining the new residual architecture with TGCL, an end-to-end framework named Deeper-GXX is proposed towards deeper GNNs. The extensive experiments on real-world data sets demonstrate the effectiveness and efficiency of Deeper-GXX compared with state-of-the-art baselines

GeoLinter: A Linting Framework for Choropleth Maps

Visualization linting is a proven effective tool in assisting users to follow established visualization guidelines. Despite its success, visualization linting for choropleth maps, one of the most popular visualizations on the internet, has yet to be investigated. In this paper, we present GeoLinter, a linting framework for choropleth maps that assists in creating accurate and robust maps. Based on a set of design guidelines and metrics drawing upon a collection of best practices from the cartographic literature, GeoLinter detects potentially suboptimal design decisions and provides further recommendations on design improvement with explanations at each step of the design process. We perform a validation study to evaluate the proposed framework's functionality with respect to identifying and fixing errors and apply its results to improve the robustness of GeoLinter. Finally, we demonstrate the effectiveness of the GeoLinter - validated through empirical studies - by applying it to a series of case studies using real-world datasets.Comment: to appear in IEEE Transactions on Visualization and Computer Graphic

Abstract Feature Space Representation for Volumetric Transfer Function Exploration

The application of n-dimensional transfer functions for feature segmentation has become increasingly popular in volume rendering. Recent work has focused on the utilization of higher order dimensional transfer functions incorporating spatial dimensions (x,y, and z) along with traditional feature space dimensions (value and value gradient). However, as the dimensionality increases, it becomes exceedingly difficult to abstract the transfer function into an intuitive and interactive workspace. In this work we focus on populating the traditional two-dimensional histogram with a set of derived metrics from the spatial (x, y and z) and feature space (value, value gradient, etc.) domain to create a set of abstract feature space transfer function domains. Current two-dimensional transfer function widgets typically consist of a two-dimensional histogram where each entry in the histogram represents the number of voxels that maps to that entry. In the case of an abstract transfer function design, the amount of spatial variance at that histogram coordinate is mapped instead, thereby relating additional information about the data abstraction in the projected space. Finally, a non-parametric kernel density estimation approach for feature space clustering is applied in the abstracted space, and the resultant transfer functions are discussed with respect to the space abstraction

Sky View Factor footprints for urban climate modeling

Urban morphology is an important multidimensional variable to consider in climate modeling and observations, because it significantly drives the local and micro-scale climatic variability in cities. Urban form can be described through urban canopy parameters (UCPs) that resolve the spatial heterogeneity of cities by specifying the 3-dimensional geometry, arrangement, and materials of urban features. The sky view factor (SVF) is a dimension-reduced UCP capturing 3-dimensional form through horizon limitation fractions. SVF has become a popular metric to parameterize urban morphology, but current approaches are difficult to scale up to global coverage. This study introduces a Big-Data approach to calculate SVFs for urban areas from Google Street View (GSV). 90-degree field-of-view GSV photos are retrieved and converted into hemispherical views through equiangular projection. The fisheyes are segmented into sky and non-sky pixels using image processing, and the SVF is calculated using an annulus method. Results are compared to SVFs retrieved from GSV images segmented using deep learning. SVF footprints are presented for urban areas around the world tallying 15,938,172 GSV locations. Two use cases are introduced: (1) an evaluation of a Google Earth Engine classified Local Climate Zone map for Singapore; (2) hourly sun duration maps for New York and San Francisco

Privacy-Preserving Graph Machine Learning from Data to Computation: A Survey

In graph machine learning, data collection, sharing, and analysis often involve multiple parties, each of which may require varying levels of data security and privacy. To this end, preserving privacy is of great importance in protecting sensitive information. In the era of big data, the relationships among data entities have become unprecedentedly complex, and more applications utilize advanced data structures (i.e., graphs) that can support network structures and relevant attribute information. To date, many graph-based AI models have been proposed (e.g., graph neural networks) for various domain tasks, like computer vision and natural language processing. In this paper, we focus on reviewing privacy-preserving techniques of graph machine learning. We systematically review related works from the data to the computational aspects. We first review methods for generating privacy-preserving graph data. Then we describe methods for transmitting privacy-preserved information (e.g., graph model parameters) to realize the optimization-based computation when data sharing among multiple parties is risky or impossible. In addition to discussing relevant theoretical methodology and software tools, we also discuss current challenges and highlight several possible future research opportunities for privacy-preserving graph machine learning. Finally, we envision a unified and comprehensive secure graph machine learning system.Comment: Accepted by SIGKDD Explorations 2023, Volume 25, Issue

Deceptive Fairness Attacks on Graphs via Meta Learning

We study deceptive fairness attacks on graphs to answer the following question: How can we achieve poisoning attacks on a graph learning model to exacerbate the bias deceptively? We answer this question via a bi-level optimization problem and propose a meta learning-based framework named FATE. FATE is broadly applicable with respect to various fairness definitions and graph learning models, as well as arbitrary choices of manipulation operations. We further instantiate FATE to attack statistical parity and individual fairness on graph neural networks. We conduct extensive experimental evaluations on real-world datasets in the task of semi-supervised node classification. The experimental results demonstrate that FATE could amplify the bias of graph neural networks with or without fairness consideration while maintaining the utility on the downstream task. We hope this paper provides insights into the adversarial robustness of fair graph learning and can shed light on designing robust and fair graph learning in future studies.Comment: 23 pages, 11 table

MolSieve: A Progressive Visual Analytics System for Molecular Dynamics Simulations

Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical research. They provide critical insights into how a physical system evolves over time given a model of interatomic interactions. Understanding a system's evolution is key to selecting the best candidates for new drugs, materials for manufacturing, and countless other practical applications. With today's technology, these simulations can encompass millions of unit transitions between discrete molecular structures, spanning up to several milliseconds of real time. Attempting to perform a brute-force analysis with data-sets of this size is not only computationally impractical, but would not shed light on the physically-relevant features of the data. Moreover, there is a need to analyze simulation ensembles in order to compare similar processes in differing environments. These problems call for an approach that is analytically transparent, computationally efficient, and flexible enough to handle the variety found in materials based research. In order to address these problems, we introduce MolSieve, a progressive visual analytics system that enables the comparison of multiple long-duration simulations. Using MolSieve, analysts are able to quickly identify and compare regions of interest within immense simulations through its combination of control charts, data-reduction techniques, and highly informative visual components. A simple programming interface is provided which allows experts to fit MolSieve to their needs. To demonstrate the efficacy of our approach, we present two case studies of MolSieve and report on findings from domain collaborators.Comment: Updated references to GPCC