arXiv subjects

Danai Koutra

Publications and source records attributed to Danai Koutra.

At least 55 records · Page 3Linked to original sources

arXiv2022

Two Sides of the Same Coin: Heterophily and Oversmoothing in Graph Convolutional Neural Networks

In node classification tasks, graph convolutional neural networks (GCNs) have demonstrated competitive performance over traditional methods on diverse graph data. However, it is known that the performance of GCNs degrades with increasing number of layers (oversmoothing problem) and recent studies have also shown that GCNs may perform worse in heterophilous graphs, where neighboring nodes tend to belong to different classes (heterophily problem). These two problems are usually viewed as unrelated, and thus are studied independently, often at the graph filter level from a spectral perspective. We are the first to take a unified perspective to jointly explain the oversmoothing and heterophily problems at the node level. Specifically, we profile the nodes via two quantitative metrics: the relative degree of a node (compared to its neighbors) and the node-level heterophily. Our theory shows that the interplay of these two profiling metrics defines three cases of node behaviors, which explain the oversmoothing and heterophily problems jointly and can predict the performance of GCNs. Based on insights from our theory, we show theoretically and empirically the effectiveness of two strategies: structure-based edge correction, which learns corrected edge weights from structural properties (i.e., degrees), and feature-based edge correction, which learns signed edge weights from node features. Compared to other approaches, which tend to handle well either heterophily or oversmoothing, we show that {our model, GGCN}, which incorporates the two strategies performs well in both problems.

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arXiv2022

On Graph Neural Network Fairness in the Presence of Heterophilous Neighborhoods

We study the task of node classification for graph neural networks (GNNs) and establish a connection between group fairness, as measured by statistical parity and equal opportunity, and local assortativity, i.e., the tendency of linked nodes to have similar attributes. Such assortativity is often induced by homophily, the tendency for nodes of similar properties to connect. Homophily can be common in social networks where systemic factors have forced individuals into communities which share a sensitive attribute. Through synthetic graphs, we study the interplay between locally occurring homophily and fair predictions, finding that not all node neighborhoods are equal in this respect -- neighborhoods dominated by one category of a sensitive attribute often struggle to obtain fair treatment, especially in the case of diverging local class and sensitive attribute homophily. After determining that a relationship between local homophily and fairness exists, we investigate if the issue of unfairness can be associated to the design of the applied GNN model. We show that by adopting heterophilous GNN designs capable of handling disassortative group labels, group fairness in locally heterophilous neighborhoods can be improved by up to 25% over homophilous designs in real and synthetic datasets.

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arXiv2022

CAPER: Coarsen, Align, Project, Refine - A General Multilevel Framework for Network Alignment

Network alignment, or the task of finding corresponding nodes in different networks, is an important problem formulation in many application domains. We propose CAPER, a multilevel alignment framework that Coarsens the input graphs, Aligns the coarsened graphs, Projects the alignment solution to finer levels and Refines the alignment solution. We show that CAPER can improve upon many different existing network alignment algorithms by enforcing alignment consistency across multiple graph resolutions: nodes matched at finer levels should also be matched at coarser levels. CAPER also accelerates the use of slower network alignment methods, at the modest cost of linear-time coarsening and refinement steps, by allowing them to be run on smaller coarsened versions of the input graphs. Experiments show that CAPER can improve upon diverse network alignment methods by an average of 33% in accuracy and/or an order of magnitude faster in runtime.

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arXiv2022

How do Quadratic Regularizers Prevent Catastrophic Forgetting: The Role of Interpolation

Catastrophic forgetting undermines the effectiveness of deep neural networks (DNNs) in scenarios such as continual learning and lifelong learning. While several methods have been proposed to tackle this problem, there is limited work explaining why these methods work well. This paper has the goal of better explaining a popularly used technique for avoiding catastrophic forgetting: quadratic regularization. We show that quadratic regularizers prevent forgetting of past tasks by interpolating current and previous values of model parameters at every training iteration. Over multiple training iterations, this interpolation operation reduces the learning rates of more important model parameters, thereby minimizing their movement. Our analysis also reveals two drawbacks of quadratic regularization: (a) dependence of parameter interpolation on training hyperparameters, which often leads to training instability and (b) assignment of lower importance to deeper layers, which are generally the place forgetting occurs in DNNs. Via a simple modification to the order of operations, we show these drawbacks can be easily avoided, resulting in 6.2\% higher average accuracy at 4.5\% lower average forgetting. We confirm the robustness of our results by training over 2000 models in different settings. Code available at \url{https://github.com/EkdeepSLubana/QRforgetting}

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arXiv2022

Exploring the Design of Adaptation Protocols for Improved Generalization and Machine Learning Safety

While directly fine-tuning (FT) large-scale, pretrained models on task-specific data is well-known to induce strong in-distribution task performance, recent works have demonstrated that different adaptation protocols, such as linear probing (LP) prior to FT, can improve out-of-distribution generalization. However, the design space of such adaptation protocols remains under-explored and the evaluation of such protocols has primarily focused on distribution shifts. Therefore, in this work, we evaluate common adaptation protocols across distributions shifts and machine learning safety metrics (e.g., anomaly detection, calibration, robustness to corruptions). We find that protocols induce disparate trade-offs that were not apparent from prior evaluation. Further, we demonstrate that appropriate pairing of data augmentation and protocol can substantially mitigate this trade-off. Finally, we hypothesize and empirically see that using hardness-promoting augmentations during LP and then FT with augmentations may be particularly effective for trade-off mitigation.

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arXiv2022

How does Heterophily Impact the Robustness of Graph Neural Networks? Theoretical Connections and Practical Implications

We bridge two research directions on graph neural networks (GNNs), by formalizing the relation between heterophily of node labels (i.e., connected nodes tend to have dissimilar labels) and the robustness of GNNs to adversarial attacks. Our theoretical and empirical analyses show that for homophilous graph data, impactful structural attacks always lead to reduced homophily, while for heterophilous graph data the change in the homophily level depends on the node degrees. These insights have practical implications for defending against attacks on real-world graphs: we deduce that separate aggregators for ego- and neighbor-embeddings, a design principle which has been identified to significantly improve prediction for heterophilous graph data, can also offer increased robustness to GNNs. Our comprehensive experiments show that GNNs merely adopting this design achieve improved empirical and certifiable robustness compared to the best-performing unvaccinated model. Additionally, combining this design with explicit defense mechanisms against adversarial attacks leads to an improved robustness with up to 18.33% performance increase under attacks compared to the best-performing vaccinated model.

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arXiv2022

Learning node embeddings via summary graphs: a brief theoretical analysis

Graph representation learning plays an important role in many graph mining applications, but learning embeddings of large-scale graphs remains a problem. Recent works try to improve scalability via graph summarization -- i.e., they learn embeddings on a smaller summary graph, and then restore the node embeddings of the original graph. However, all existing works depend on heuristic designs and lack theoretical analysis. Different from existing works, we contribute an in-depth theoretical analysis of three specific embedding learning methods based on introduced kernel matrix, and reveal that learning embeddings via graph summarization is actually learning embeddings on a approximate graph constructed by the configuration model. We also give analysis about approximation error. To the best of our knowledge, this is the first work to give theoretical analysis of this approach. Furthermore, our analysis framework gives interpretation of some existing methods and provides great insights for future work on this problem.

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arXiv2022

Augmentations in Graph Contrastive Learning: Current Methodological Flaws & Towards Better Practices

Unsupervised graph representation learning is critical to a wide range of applications where labels may be scarce or expensive to procure. Contrastive learning (CL) is an increasingly popular paradigm for such settings and the state-of-the-art in unsupervised visual representation learning. Recent work attributes the success of visual CL to use of task-relevant augmentations and large, diverse datasets. Interestingly, graph CL frameworks report strong performance despite using orders of magnitude smaller datasets and employing domain-agnostic graph augmentations (DAGAs). Motivated by this discrepancy, we probe the quality of representations learnt by popular graph CL frameworks using DAGAs. We find that DAGAs can destroy task-relevant information and harm the model's ability to learn discriminative representations. On small benchmark datasets, we show the inductive bias of graph neural networks can significantly compensate for this weak discriminability. Based on our findings, we propose several sanity checks that enable practitioners to quickly assess the quality of their model's learned representations. We further propose a broad strategy for designing task-aware augmentations that are amenable to graph CL and demonstrate its efficacy on two large-scale, complex graph applications. For example, in graph-based document classification, we show task-aware augmentations improve accuracy up to 20%.

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arXiv2021

Deep Transfer Learning for Multi-source Entity Linkage via Domain Adaptation

Multi-source entity linkage focuses on integrating knowledge from multiple sources by linking the records that represent the same real world entity. This is critical in high-impact applications such as data cleaning and user stitching. The state-of-the-art entity linkage pipelines mainly depend on supervised learning that requires abundant amounts of training data. However, collecting well-labeled training data becomes expensive when the data from many sources arrives incrementally over time. Moreover, the trained models can easily overfit to specific data sources, and thus fail to generalize to new sources due to significant differences in data and label distributions. To address these challenges, we present AdaMEL, a deep transfer learning framework that learns generic high-level knowledge to perform multi-source entity linkage. AdaMEL models the attribute importance that is used to match entities through an attribute-level self-attention mechanism, and leverages the massive unlabeled data from new data sources through domain adaptation to make it generic and data-source agnostic. In addition, AdaMEL is capable of incorporating an additional set of labeled data to more accurately integrate data sources with different attribute importance. Extensive experiments show that our framework achieves state-of-the-art results with 8.21% improvement on average over methods based on supervised learning. Besides, it is more stable in handling different sets of data sources in less runtime.

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arXiv2021

NegatER: Unsupervised Discovery of Negatives in Commonsense Knowledge Bases

Codifying commonsense knowledge in machines is a longstanding goal of artificial intelligence. Recently, much progress toward this goal has been made with automatic knowledge base (KB) construction techniques. However, such techniques focus primarily on the acquisition of positive (true) KB statements, even though negative (false) statements are often also important for discriminative reasoning over commonsense KBs. As a first step toward the latter, this paper proposes NegatER, a framework that ranks potential negatives in commonsense KBs using a contextual language model (LM). Importantly, as most KBs do not contain negatives, NegatER relies only on the positive knowledge in the LM and does not require ground-truth negative examples. Experiments demonstrate that, compared to multiple contrastive data augmentation approaches, NegatER yields negatives that are more grammatical, coherent, and informative -- leading to statistically significant accuracy improvements in a challenging KB completion task and confirming that the positive knowledge in LMs can be "re-purposed" to generate negative knowledge.

cs.AI↗

arXiv2021

Relational World Knowledge Representation in Contextual Language Models: A Review

Relational knowledge bases (KBs) are commonly used to represent world knowledge in machines. However, while advantageous for their high degree of precision and interpretability, KBs are usually organized according to manually-defined schemas, which limit their expressiveness and require significant human efforts to engineer and maintain. In this review, we take a natural language processing perspective to these limitations, examining how they may be addressed in part by training deep contextual language models (LMs) to internalize and express relational knowledge in more flexible forms. We propose to organize knowledge representation strategies in LMs by the level of KB supervision provided, from no KB supervision at all to entity- and relation-level supervision. Our contributions are threefold: (1) We provide a high-level, extensible taxonomy for knowledge representation in LMs; (2) Within our taxonomy, we highlight notable models, evaluation tasks, and findings, in order to provide an up-to-date review of current knowledge representation capabilities in LMs; and (3) We suggest future research directions that build upon the complementary aspects of LMs and KBs as knowledge representations.

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arXiv2021

Graph Neural Networks with Heterophily

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.

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arXiv2021

Node Proximity Is All You Need: Unified Structural and Positional Node and Graph Embedding

While most network embedding techniques model the relative positions of nodes in a network, recently there has been significant interest in structural embeddings that model node role equivalences, irrespective of their distances to any specific nodes. We present PhUSION, a proximity-based unified framework for computing structural and positional node embeddings, which leverages well-established methods for calculating node proximity scores. Clarifying a point of contention in the literature, we show which step of PhUSION produces the different kinds of embeddings and what steps can be used by both. Moreover, by aggregating the PhUSION node embeddings, we obtain graph-level features that model information lost by previous graph feature learning and kernel methods. In a comprehensive empirical study with over 10 datasets, 4 tasks, and 35 methods, we systematically reveal successful design choices for node and graph-level machine learning with embeddings.

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arXiv2021

A Hidden Challenge of Link Prediction: Which Pairs to Check?

The traditional setup of link prediction in networks assumes that a test set of node pairs, which is usually balanced, is available over which to predict the presence of links. However, in practice, there is no test set: the ground-truth is not known, so the number of possible pairs to predict over is quadratic in the number of nodes in the graph. Moreover, because graphs are sparse, most of these possible pairs will not be links. Thus, link prediction methods, which often rely on proximity-preserving embeddings or heuristic notions of node similarity, face a vast search space, with many pairs that are in close proximity, but that should not be linked. To mitigate this issue, we introduce LinkWaldo, a framework for choosing from this quadratic, massively-skewed search space of node pairs, a concise set of candidate pairs that, in addition to being in close proximity, also structurally resemble the observed edges. This allows it to ignore some high-proximity but low-resemblance pairs, and also identify high-resemblance, lower-proximity pairs. Our framework is built on a model that theoretically combines Stochastic Block Models (SBMs) with node proximity models. The block structure of the SBM maps out where in the search space new links are expected to fall, and the proximity identifies the most plausible links within these blocks, using locality sensitive hashing to avoid expensive exhaustive search. LinkWaldo can use any node representation learning or heuristic definition of proximity, and can generate candidate pairs for any link prediction method, allowing the representation power of current and future methods to be realized for link prediction in practice. We evaluate LinkWaldo on 13 networks across multiple domains, and show that on average it returns candidate sets containing 7-33% more missing and future links than both embedding-based and heuristic baselines' sets.

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arXiv2021

Refining Network Alignment to Improve Matched Neighborhood Consistency

Network alignment, or the task of finding meaningful node correspondences between nodes in different graphs, is an important graph mining task with many scientific and industrial applications. An important principle for network alignment is matched neighborhood consistency (MNC): nodes that are close in one graph should be matched to nodes that are close in the other graph. We theoretically demonstrate a close relationship between MNC and alignment accuracy. As many existing network alignment methods struggle to preserve topological consistency in difficult scenarios, we show how to refine their solutions by improving their MNC. Our refinement method, RefiNA, is straightforward to implement, admits scalable sparse approximation, and can be paired post hoc with any network alignment method. Extensive experiments show that RefiNA increases the accuracy of diverse unsupervised network alignment methods by up to 90%, making them robust enough to align graphs that are 5x more topologically different than were considered in prior work.

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arXiv2021

Towards Understanding and Evaluating Structural Node Embeddings

While most network embedding techniques model the proximity between nodes in a network, recently there has been significant interest in structural embeddings that are based on node equivalences, a notion rooted in sociology: equivalences or positions are collections of nodes that have similar roles--i.e., similar functions, ties or interactions with nodes in other positions--irrespective of their distance or reachability in the network. Unlike the proximity-based methods that are rigorously evaluated in the literature, the evaluation of structural embeddings is less mature. It relies on small synthetic or real networks with labels that are not perfectly defined, and its connection to sociological equivalences has hitherto been vague and tenuous. With new node embedding methods being developed at a breakneck pace, proper evaluation and systematic characterization of existing approaches will be essential to progress. To fill in this gap, we set out to understand what types of equivalences structural embeddings capture. We are the first to contribute rigorous intrinsic and extrinsic evaluation methodology for structural embeddings, along with carefully-designed, diverse datasets of varying sizes. We observe a number of different evaluation variables that can lead to different results (e.g., choice of similarity measure, classifier, label definitions). We find that degree distributions within nodes' local neighborhoods can lead to simple yet effective baselines in their own right and guide the future development of structural embedding. We hope that our findings can influence the design of further node embedding methods and also pave the way for more comprehensive and fair evaluation of structural embedding methods.

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arXiv2020

Beyond Homophily in Graph Neural Networks: Current Limitations and Effective Designs

We investigate the representation power of graph neural networks in the semi-supervised node classification task under heterophily or low homophily, i.e., in networks where connected nodes may have different class labels and dissimilar features. Many popular GNNs fail to generalize to this setting, and are even outperformed by models that ignore the graph structure (e.g., multilayer perceptrons). Motivated by this limitation, we identify a set of key designs -- ego- and neighbor-embedding separation, higher-order neighborhoods, and combination of intermediate representations -- that boost learning from the graph structure under heterophily. We combine them into a graph neural network, H2GCN, which we use as the base method to empirically evaluate the effectiveness of the identified designs. Going beyond the traditional benchmarks with strong homophily, our empirical analysis shows that the identified designs increase the accuracy of GNNs by up to 40% and 27% over models without them on synthetic and real networks with heterophily, respectively, and yield competitive performance under homophily.

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arXiv2020

Neural Execution Engines: Learning to Execute Subroutines

A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.

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