Megha Khosla

Tianqi Zhao, Ngan Thi Dong, Alan Hanjalic et al.

Graph Neural Networks (GNNs) have shown state-of-the-art improvements in node classification tasks on graphs. While these improvements have been largely demonstrated in a multi-class classification scenario, a more general and realistic scenario in which each node could have multiple labels has so far received little attention. The first challenge in conducting focused studies on multi-label node classification is the limited number of publicly available multi-label graph datasets. Therefore, as our first contribution, we collect and release three real-world biological datasets and develop a multi-label graph generator to generate datasets with tunable properties. While high label similarity (high homophily) is usually attributed to the success of GNNs, we argue that a multi-label scenario does not follow the usual semantics of homophily and heterophily so far defined for a multi-class scenario. As our second contribution, we define homophily and Cross-Class Neighborhood Similarity for the multi-label scenario and provide a thorough analyses of the collected $9$ multi-label datasets. Finally, we perform a large-scale comparative study with $8$ methods and $9$ datasets and analyse the performances of the methods to assess the progress made by current state of the art in the multi-label node classification scenario. We release our benchmark at https://github.com/Tianqi-py/MLGNC.

Mandeep Rathee, Thorben Funke, Avishek Anand et al.

The problem of interpreting the decisions of machine learning is a well-researched and important. We are interested in a specific type of machine learning model that deals with graph data called graph neural networks. Evaluating interpretability approaches for graph neural networks (GNN) specifically are known to be challenging due to the lack of a commonly accepted benchmark. Given a GNN model, several interpretability approaches exist to explain GNN models with diverse (sometimes conflicting) evaluation methodologies. In this paper, we propose a benchmark for evaluating the explainability approaches for GNNs called Bagel. In Bagel, we firstly propose four diverse GNN explanation evaluation regimes -- 1) faithfulness, 2) sparsity, 3) correctness. and 4) plausibility. We reconcile multiple evaluation metrics in the existing literature and cover diverse notions for a holistic evaluation. Our graph datasets range from citation networks, document graphs, to graphs from molecules and proteins. We conduct an extensive empirical study on four GNN models and nine post-hoc explanation approaches for node and graph classification tasks. We open both the benchmarks and reference implementations and make them available at https://github.com/Mandeep-Rathee/Bagel-benchmark.

Iyiola E. Olatunji, Mandeep Rathee, Thorben Funke et al.

Privacy and interpretability are two important ingredients for achieving trustworthy machine learning. We study the interplay of these two aspects in graph machine learning through graph reconstruction attacks. The goal of the adversary here is to reconstruct the graph structure of the training data given access to model explanations. Based on the different kinds of auxiliary information available to the adversary, we propose several graph reconstruction attacks. We show that additional knowledge of post-hoc feature explanations substantially increases the success rate of these attacks. Further, we investigate in detail the differences between attack performance with respect to three different classes of explanation methods for graph neural networks: gradient-based, perturbation-based, and surrogate model-based methods. While gradient-based explanations reveal the most in terms of the graph structure, we find that these explanations do not always score high in utility. For the other two classes of explanations, privacy leakage increases with an increase in explanation utility. Finally, we propose a defense based on a randomized response mechanism for releasing the explanations, which substantially reduces the attack success rate. Our code is available at https://github.com/iyempissy/graph-stealing-attacks-with-explanation

Iyiola E. Olatunji, Anmar Hizber, Oliver Sihlovec et al.

Graph neural networks (GNNs) have shown promising results on real-life datasets and applications, including healthcare, finance, and education. However, recent studies have shown that GNNs are highly vulnerable to attacks such as membership inference attack and link reconstruction attack. Surprisingly, attribute inference attacks has received little attention. In this paper, we initiate the first investigation into attribute inference attack where an attacker aims to infer the sensitive user attributes based on her public or non-sensitive attributes. We ask the question whether black-box attribute inference attack constitutes a significant privacy risk for graph-structured data and their corresponding GNN model. We take a systematic approach to launch the attacks by varying the adversarial knowledge and assumptions. Our findings reveal that when an attacker has black-box access to the target model, GNNs generally do not reveal significantly more information compared to missing value estimation techniques. Code is available.

Sinan Yıldırım, Megha Khosla

Existing privacy analyses for Graph Neural Networks (GNNs) largely inherit assumptions from non-graph settings, overlooking structural correlations and stochastic training-graph sampling. In particular, node-dependent priors make type-I and type-II errors alone insufficient to characterize the best membership inference test. To address this, we introduce Bayesian Membership Privacy (BMP), a sampling-aware formulation of node-level membership privacy that incorporates node-dependent priors and treats graph sampling probabilities as part of the adversary's knowledge. BMP casts membership inference as a Bayesian hypothesis test and accordingly quantifies membership privacy in terms of posterior membership probability. We explore theoretical properties of BMP in relation to the existing definitions in the literature. We further propose a practical, sampling-aware auditing mechanism to estimate the parameters of BMP as a measure of node-level privacy leakage in GNNs. We conduct experiments on benchmark graph datasets and show that BMP yields fine-grained privacy insights that are not visible through global attack accuracy alone.

Yuan Xue, Daniel Kudenko, Megha Khosla

Structure-based drug design has been accelerated by pocket-aware 3D generative models, yet most methods primarily fit the training distribution and may fall short of satisfying multiple properties required in real-world therapeutic drug discovery. Recently, increasing attention has focused on structure-based molecule optimization (SBMO), which targets fine-grained control over multiple specified molecular properties. In this paper, we present DEPPA, a novel SBMO approach building upon Denoising Diffusion Policy Optimization for fine-tuning a pre-trained pocket-aware diffusion model via reinforcement learning. DEPPA enables optimization over multiple properties, including binding affinity, drug-likeness, synthesizability and diversity. We formulate the reverse denoising process of the pretrained pocket-aware diffusion model as a multi-step Markov Decision Process, where the desired properties that serve as reward signals are evaluated on the final generated ligand molecules. DEPPA incorporates a coarse denoising scheduler during the RL fine-tuning to achieve efficient and effective molecule optimization. Experimental results on the CrossDocked2020 benchmark demonstrate that DEPPA outperforms baselines in binding affinity (Vina Score -8.5 kcal/mol), drug-likeness and diversity while exhibiting competitive performance in synthesizability. The source code is available at https://github.com/xy9485/DePPA .

Simone Piaggesi, Megha Khosla, André Panisson et al.

Graphs are ubiquitous due to their flexibility in representing social and technological systems as networks of interacting elements. Graph representation learning methods, such as node embeddings, are powerful approaches to map nodes into a latent vector space, allowing their use for various graph tasks. Despite their success, only few studies have focused on explaining node embeddings locally. Moreover, global explanations of node embeddings remain unexplored, limiting interpretability and debugging potentials. We address this gap by developing human-understandable explanations for dimensions in node embeddings. Towards that, we first develop new metrics that measure the global interpretability of embedding vectors based on the marginal contribution of the embedding dimensions to predicting graph structure. We say that an embedding dimension is more interpretable if it can faithfully map to an understandable sub-structure in the input graph - like community structure. Having observed that standard node embeddings have low interpretability, we then introduce DINE (Dimension-based Interpretable Node Embedding), a novel approach that can retrofit existing node embeddings by making them more interpretable without sacrificing their task performance. We conduct extensive experiments on synthetic and real-world graphs and show that we can simultaneously learn highly interpretable node embeddings with effective performance in link prediction.

Megha Khosla

Graph Machine Learning (GraphML), whereby classical machine learning is generalized to irregular graph domains, has enjoyed a recent renaissance, leading to a dizzying array of models and their applications in several domains. With its growing applicability to sensitive domains and regulations by governmental agencies for trustworthy AI systems, researchers have started looking into the issues of transparency and privacy of graph learning. However, these topics have been mainly investigated independently. In this position paper, we provide a unified perspective on the interplay of privacy and transparency in GraphML. In particular, we describe the challenges and possible research directions for a formal investigation of privacy-transparency tradeoffs in GraphML.

Tianqi Zhao, Megha Khosla

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either evaluating their performance on small subset of benchmark datasets or by reasoning about their expressive power in terms of certain graph isomorphism tests. In this paper we critically analyse both these aspects through a transductive setting for the task of node classification. First, we delve deeper into the case of multi-label node classification which offers a more realistic scenario and has been ignored in most of the related works. Through analysing the training dynamics for GNN methods we highlight the failure of GNNs to learn over multi-label graph datasets even for the case of abundant training data. Second, we show that specifically for transductive node classification, even the most expressive GNN may fail to learn in absence of node attributes and without using explicit label information as input. To overcome this deficit, we propose a straightforward approach, referred to as GNN-MultiFix, that integrates the feature, label, and positional information of a node. GNN-MultiFix demonstrates significant improvement across all the multi-label datasets. We release our code at https://anonymous.4open.science/r/Graph-MultiFix-4121.

Tianqi Zhao, Ngan Thi Dong, Alan Hanjalic et al.

Graph Neural Networks (GNNs) have achieved state-of-the-art results in node classification tasks. However, most improvements are in multi-class classification, with less focus on the cases where each node could have multiple labels. The first challenge in studying multi-label node classification is the scarcity of publicly available datasets. To address this, we collected and released three real-world biological datasets and developed a multi-label graph generator with tunable properties. We also argue that traditional notions of homophily and heterophily do not apply well to multi-label scenarios. Therefore, we define homophily and Cross-Class Neighborhood Similarity for multi-label classification and investigate $9$ collected multi-label datasets. Lastly, we conducted a large-scale comparative study with $8$ methods across nine datasets to evaluate current progress in multi-label node classification. We release our code at \url{https://github.com/Tianqi-py/MLGNC}.

Tianqi Zhao, Alan Hanjalic, Megha Khosla

In recent years, continual learning (CL) techniques have made significant progress in learning from streaming data while preserving knowledge across sequential tasks, particularly in the realm of euclidean data. To foster fair evaluation and recognize challenges in CL settings, several evaluation frameworks have been proposed, focusing mainly on the single- and multi-label classification task on euclidean data. However, these evaluation frameworks are not trivially applicable when the input data is graph-structured, as they do not consider the topological structure inherent in graphs. Existing continual graph learning (CGL) evaluation frameworks have predominantly focussed on single-label scenarios in the node classification (NC) task. This focus has overlooked the complexities of multi-label scenarios, where nodes may exhibit affiliations with multiple labels, simultaneously participating in multiple tasks. We develop a graph-aware evaluation (\agale) framework that accommodates both single-labeled and multi-labeled nodes, addressing the limitations of previous evaluation frameworks. In particular, we define new incremental settings and devise data partitioning algorithms tailored to CGL datasets. We perform extensive experiments comparing methods from the domains of continual learning, continual graph learning, and dynamic graph learning (DGL). We theoretically analyze \agale and provide new insights about the role of homophily in the performance of compared methods. We release our framework at https://github.com/Tianqi-py/AGALE.

Iyiola E. Olatunji, Thorben Funke, Megha Khosla

With the increasing popularity of graph neural networks (GNNs) in several sensitive applications like healthcare and medicine, concerns have been raised over the privacy aspects of trained GNNs. More notably, GNNs are vulnerable to privacy attacks, such as membership inference attacks, even if only black-box access to the trained model is granted. We propose PrivGNN, a privacy-preserving framework for releasing GNN models in a centralized setting. Assuming an access to a public unlabeled graph, PrivGNN provides a framework to release GNN models trained explicitly on public data along with knowledge obtained from the private data in a privacy preserving manner. PrivGNN combines the knowledge-distillation framework with the two noise mechanisms, random subsampling, and noisy labeling, to ensure rigorous privacy guarantees. We theoretically analyze our approach in the Renyi differential privacy framework. Besides, we show the solid experimental performance of our method compared to several baselines adapted for graph-structured data. Our code is available at https://github.com/iyempissy/privGnn.

Iyiola E. Olatunji, Wolfgang Nejdl, Megha Khosla

Graph Neural Networks (GNNs), which generalize traditional deep neural networks on graph data, have achieved state-of-the-art performance on several graph analytical tasks. We focus on how trained GNN models could leak information about the \emph{member} nodes that they were trained on. We introduce two realistic settings for performing a membership inference (MI) attack on GNNs. While choosing the simplest possible attack model that utilizes the posteriors of the trained model (black-box access), we thoroughly analyze the properties of GNNs and the datasets which dictate the differences in their robustness towards MI attack. While in traditional machine learning models, overfitting is considered the main cause of such leakage, we show that in GNNs the additional structural information is the major contributing factor. We support our findings by extensive experiments on four representative GNN models. To prevent MI attacks on GNN, we propose two effective defenses that significantly decreases the attacker's inference by up to 60% without degradation to the target model's performance. Our code is available at https://github.com/iyempissy/rebMIGraph.

Megha Khosla

Graph neural networks (GNNs) have become the standard tool for encoding data and their complex relationships into continuous representations, improving prediction accuracy in several machine learning tasks like node classification and link prediction. However, their use in sensitive applications has raised concerns about the potential leakage of training data. Research on privacy leakage in GNNs has largely been shaped by findings from non-graph domains, such as images and tabular data. We emphasize the need of graph specific analysis and investigate the impact of graph structure on node level membership inference. We formalize MI over node-neighbourhood tuples and investigate two important dimensions: (i) training graph construction and (ii) inference-time edge access. Empirically, snowball's coverage bias often harms generalisation relative to random sampling, while enabling inter-train-test edges at inference improves test accuracy, shrinks the train-test gap, and yields the lowest membership advantage across most of the models and datasets. We further show that the generalisation gap empirically measured as the performance difference between the train and test nodes is an incomplete proxy for MI risk: access to edges dominates-MI can rise or fall independent of gap changes. Finally, we examine the auditability of differentially private GNNs, adapting the definition of statistical exchangeability of train-test data points for graph based models. We show that for node level tasks the inductive splits (random or snowball sampled) break exchangeability, limiting the applicability of standard bounds for membership advantage of differential private models.

Ziyu Li, Hilco van der Wilk, Danning Zhan et al.

Pre-trained deep learning (DL) models are increasingly accessible in public repositories, i.e., model zoos. Given a new prediction task, finding the best model to fine-tune can be computationally intensive and costly, especially when the number of pre-trained models is large. Selecting the right pre-trained models is crucial, yet complicated by the diversity of models from various model families (like ResNet, Vit, Swin) and the hidden relationships between models and datasets. Existing methods, which utilize basic information from models and datasets to compute scores indicating model performance on target datasets, overlook the intrinsic relationships, limiting their effectiveness in model selection. In this study, we introduce TransferGraph, a novel framework that reformulates model selection as a graph learning problem. TransferGraph constructs a graph using extensive metadata extracted from models and datasets, while capturing their inherent relationships. Through comprehensive experiments across 16 real datasets, both images and texts, we demonstrate TransferGraph's effectiveness in capturing essential model-dataset relationships, yielding up to a 32% improvement in correlation between predicted performance and the actual fine-tuning results compared to the state-of-the-art methods.

Tianqi Zhao, Russa Biswas, Megha Khosla

Graph machine learning models often achieve similar overall performance yet behave differently at the node level, failing on different subsets of nodes with varying reliability. Standard evaluation metrics such as accuracy obscure these fine grained differences, making it difficult to diagnose when and where models fail. We introduce NodePro, a node profiling framework that enables fine-grained diagnosis of model behavior by assigning interpretable profile scores to individual nodes. These scores combine data-centric signals, such as feature dissimilarity, label uncertainty, and structural ambiguity, with model-centric measures of prediction confidence and consistency during training. By aligning model behavior with these profiles, NodePro reveals systematic differences between models, even when aggregate metrics are indistinguishable. We show that node profiles generalize to unseen nodes, supporting prediction reliability without ground-truth labels. Finally, we demonstrate the utility of NodePro in identifying semantically inconsistent or corrupted nodes in a structured knowledge graph, illustrating its effectiveness in real-world settings.

Malte Lüken, Javier Garcia-Bernardo, Sreeparna Deb et al.

Administrative registry data can be used to construct population-scale networks whose ties reflect shared social contexts between persons. With machine learning, such networks can be encoded into numerical representations -- embeddings -- that automatically capture individuals' position within the network. We created embeddings for all persons in the Dutch population from a population-scale network that represents five shared contexts: neighborhood, work, family, household, and school. To assess the informativeness of these embeddings, we used them to predict right-wing populist voting. Embeddings alone predicted right-wing populist voting above chance-level but performed worse than individual characteristics. Combining the best subset of embeddings with individual characteristics only slightly improved predictions. After transforming the embeddings to make their dimensions more sparse and orthogonal, we found that one embedding dimension was strongly associated with the outcome. Mapping this dimension back to the population network revealed differences in network structure related to right-wing populist voting between different school ties and achieved education levels. Our study contributes methodologically by demonstrating how population-scale network embeddings can be made interpretable, and substantively by linking structural network differences in education to right-wing populist voting.

Simone Piaggesi, André Panisson, Megha Khosla

Node representations, or embeddings, are low-dimensional vectors that capture node properties, typically learned through unsupervised structural similarity objectives or supervised tasks. While recent efforts have focused on explaining graph model decisions, the interpretability of unsupervised node embeddings remains underexplored. To bridge this gap, we introduce DiSeNE (Disentangled and Self-Explainable Node Embedding), a framework that generates self-explainable embeddings in an unsupervised manner. Our method employs disentangled representation learning to produce dimension-wise interpretable embeddings, where each dimension is aligned with distinct topological structure of the graph. We formalize novel desiderata for disentangled and interpretable embeddings, which drive our new objective functions, optimizing simultaneously for both interpretability and disentanglement. Additionally, we propose several new metrics to evaluate representation quality and human interpretability. Extensive experiments across multiple benchmark datasets demonstrate the effectiveness of our approach.

Thi Ngan Dong, Graham Brogden, Gisa Gerold et al.

Viral infections are causing significant morbidity and mortality worldwide. Understanding the interaction patterns between a particular virus and human proteins plays a crucial role in unveiling the underlying mechanism of viral infection and pathogenesis. This could further help in the prevention and treatment of virus-related diseases. However, the task of predicting protein-protein interactions between a new virus and human cells is extremely challenging due to scarce data on virus-human interactions and fast mutation rates of most viruses. We developed a multitask transfer learning approach that exploits the information of around 24 million protein sequences and the interaction patterns from the human interactome to counter the problem of small training datasets. Instead of using hand-crafted protein features, we utilize statistically rich protein representations learned by a deep language modeling approach from a massive source of protein sequences. Additionally, we employ an additional objective which aims to maximize the probability of observing human protein-protein interactions. This additional task objective acts as a regularizer and also allows to incorporate domain knowledge to inform the virus-human protein-protein interaction prediction model. Our approach achieved competitive results on 13 benchmark datasets and the case study for the SAR-CoV-2 virus receptor. Experimental results show that our proposed model works effectively for both virus-human and bacteria-human protein-protein interaction prediction tasks. We share our code for reproducibility and future research at https://git.l3s.uni-hannover.de/dong/multitask-transfer.

Jurek Leonhardt, Koustav Rudra, Megha Khosla et al.

Neural document ranking approaches, specifically transformer models, have achieved impressive gains in ranking performance. However, query processing using such over-parameterized models is both resource and time intensive. In this paper, we propose the Fast-Forward index -- a simple vector forward index that facilitates ranking documents using interpolation of lexical and semantic scores -- as a replacement for contextual re-rankers and dense indexes based on nearest neighbor search. Fast-Forward indexes rely on efficient sparse models for retrieval and merely look up pre-computed dense transformer-based vector representations of documents and passages in constant time for fast CPU-based semantic similarity computation during query processing. We propose index pruning and theoretically grounded early stopping techniques to improve the query processing throughput. We conduct extensive large-scale experiments on TREC-DL datasets and show improvements over hybrid indexes in performance and query processing efficiency using only CPUs. Fast-Forward indexes can provide superior ranking performance using interpolation due to the complementary benefits of lexical and semantic similarities.

Soumyadeep Roy, Sudip Chakraborty, Aishik Mandal et al.

Online medical forums have become a predominant platform for answering health-related information needs of consumers. However, with a significant rise in the number of queries and the limited availability of experts, it is necessary to automatically classify medical queries based on a consumer's intention, so that these questions may be directed to the right set of medical experts. Here, we develop a novel medical knowledge-aware BERT-based model (MedBERT) that explicitly gives more weightage to medical concept-bearing words, and utilize domain-specific side information obtained from a popular medical knowledge base. We also contribute a multi-label dataset for the Medical Forum Question Classification (MFQC) task. MedBERT achieves state-of-the-art performance on two benchmark datasets and performs very well in low resource settings.

Thi Ngan Dong, Megha Khosla

Growing evidence from recent studies implies that microRNA or miRNA could serve as biomarkers in various complex human diseases. Since wet-lab experiments are expensive and time-consuming, computational techniques for miRNA-disease association prediction have attracted a lot of attention in recent years. Data scarcity is one of the major challenges in building reliable machine learning models. Data scarcity combined with the use of precalculated hand-crafted input features has led to problems of overfitting and data leakage. We overcome the limitations of existing works by proposing a novel multi-tasking graph convolution-based approach, which we refer to as MuCoMiD. MuCoMiD allows automatic feature extraction while incorporating knowledge from five heterogeneous biological information sources (interactions between miRNA/diseases and protein-coding genes (PCG), interactions between protein-coding genes, miRNA family information, and disease ontology) in a multi-task setting which is a novel perspective and has not been studied before. To effectively test the generalization capability of our model, we construct large-scale experiments on standard benchmark datasets as well as our proposed larger independent test sets and case studies. MuCoMiD shows an improvement of at least 3% in 5-fold CV evaluation on HMDDv2.0 and HMDDv3.0 datasets and at least 35% on larger independent test sets with unseen miRNA and diseases over state-of-the-art approaches. We share our code for reproducibility and future research at https://git.l3s.uni-hannover.de/dong/cmtt.

Mandeep Rathee, Zijian Zhang, Thorben Funke et al.

Graph neural networks (GNNs) have achieved great success on various tasks and fields that require relational modeling. GNNs aggregate node features using the graph structure as inductive biases resulting in flexible and powerful models. However, GNNs remain hard to interpret as the interplay between node features and graph structure is only implicitly learned. In this paper, we propose a novel method called Kedge for explicitly sparsifying the underlying graph by removing unnecessary neighbors. Our key idea is based on a tractable method for sparsification using the Hard Kumaraswamy distribution that can be used in conjugation with any GNN model. Kedge learns edge masks in a modular fashion trained with any GNN allowing for gradient based optimization in an end-to-end fashion. We demonstrate through extensive experiments that our model Kedge can prune a large proportion of the edges with only a minor effect on the test accuracy. Specifically, in the PubMed dataset, Kedge learns to drop more than 80% of the edges with an accuracy drop of merely 2% showing that graph structure has only a small contribution in comparison to node features. Finally, we also show that Kedge effectively counters the over-smoothing phenomena in deep GNNs by maintaining good task performance with increasing GNN layers.

Thorben Funke, Megha Khosla, Mandeep Rathee et al.

With the ever-increasing popularity and applications of graph neural networks, several proposals have been made to explain and understand the decisions of a graph neural network. Explanations for graph neural networks differ in principle from other input settings. It is important to attribute the decision to input features and other related instances connected by the graph structure. We find that the previous explanation generation approaches that maximize the mutual information between the label distribution produced by the model and the explanation to be restrictive. Specifically, existing approaches do not enforce explanations to be valid, sparse, or robust to input perturbations. In this paper, we lay down some of the fundamental principles that an explanation method for graph neural networks should follow and introduce a metric RDT-Fidelity as a measure of the explanation's effectiveness. We propose a novel approach Zorro based on the principles from rate-distortion theory that uses a simple combinatorial procedure to optimize for RDT-Fidelity. Extensive experiments on real and synthetic datasets reveal that Zorro produces sparser, stable, and more faithful explanations than existing graph neural network explanation approaches.

Jens Rauch, Iyiola E. Olatunji, Megha Khosla

When applying outlier detection in settings where data is sensitive, mechanisms which guarantee the privacy of the underlying data are needed. The $k$-nearest neighbors ($k$-NN) algorithm is a simple and one of the most effective methods for outlier detection. So far, there have been no attempts made to develop a differentially private ($ε$-DP) approach for $k$-NN based outlier detection. Existing approaches often relax the notion of $ε$-DP and employ other methods than $k$-NN. We propose a method for $k$-NN based outlier detection by separating the procedure into a fitting step on reference inlier data and then apply the outlier classifier to new data. We achieve $ε$-DP for both the fitting algorithm and the outlier classifier with respect to the reference data by partitioning the dataset into a uniform grid, which yields low global sensitivity. Our approach yields nearly optimal performance on real-world data with varying dimensions when compared to the non-private versions of $k$-NN.

Iyiola E. Olatunji, Jens Rauch, Matthias Katzensteiner et al.

Mining health data can lead to faster medical decisions, improvement in the quality of treatment, disease prevention, reduced cost, and it drives innovative solutions within the healthcare sector. However, health data is highly sensitive and subject to regulations such as the General Data Protection Regulation (GDPR), which aims to ensure patient's privacy. Anonymization or removal of patient identifiable information, though the most conventional way, is the first important step to adhere to the regulations and incorporate privacy concerns. In this paper, we review the existing anonymization techniques and their applicability to various types (relational and graph-based) of health data. Besides, we provide an overview of possible attacks on anonymized data. We illustrate via a reconstruction attack that anonymization though necessary, is not sufficient to address patient privacy and discuss methods for protecting against such attacks. Finally, we discuss tools that can be used to achieve anonymization.

Jaspreet Singh, Zhenye Wang, Megha Khosla et al.

Learning-to-rank (LTR) is a class of supervised learning techniques that apply to ranking problems dealing with a large number of features. The popularity and widespread application of LTR models in prioritizing information in a variety of domains makes their scrutability vital in today's landscape of fair and transparent learning systems. However, limited work exists that deals with interpreting the decisions of learning systems that output rankings. In this paper we propose a model agnostic local explanation method that seeks to identify a small subset of input features as explanation to a ranking decision. We introduce new notions of validity and completeness of explanations specifically for rankings, based on the presence or absence of selected features, as a way of measuring goodness. We devise a novel optimization problem to maximize validity directly and propose greedy algorithms as solutions. In extensive quantitative experiments we show that our approach outperforms other model agnostic explanation approaches across pointwise, pairwise and listwise LTR models in validity while not compromising on completeness.

Vikram Waradpande, Daniel Kudenko, Megha Khosla

Deep RL approaches build much of their success on the ability of the deep neural network to generate useful internal representations. Nevertheless, they suffer from a high sample-complexity and starting with a good input representation can have a significant impact on the performance. In this paper, we exploit the fact that the underlying Markov decision process (MDP) represents a graph, which enables us to incorporate the topological information for effective state representation learning. Motivated by the recent success of node representations for several graph analytical tasks we specifically investigate the capability of node representation learning methods to effectively encode the topology of the underlying MDP in Deep RL. To this end we perform a comparative analysis of several models chosen from 4 different classes of representation learning algorithms for policy learning in grid-world navigation tasks, which are representative of a large class of RL problems. We find that all embedding methods outperform the commonly used matrix representation of grid-world environments in all of the studied cases. Moreoever, graph convolution based methods are outperformed by simpler random walk based methods and graph linear autoencoders.

Jurek Leonhardt, Avishek Anand, Megha Khosla

The extraction of main content from web pages is an important task for numerous applications, ranging from usability aspects, like reader views for news articles in web browsers, to information retrieval or natural language processing. Existing approaches are lacking as they rely on large amounts of hand-crafted features for classification. This results in models that are tailored to a specific distribution of web pages, e.g. from a certain time frame, but lack in generalization power. We propose a neural sequence labeling model that does not rely on any hand-crafted features but takes only the HTML tags and words that appear in a web page as input. This allows us to present a browser extension which highlights the content of arbitrary web pages directly within the browser using our model. In addition, we create a new, more current dataset to show that our model is able to adapt to changes in the structure of web pages and outperform the state-of-the-art model.

Maximilian Idahl, Megha Khosla, Avishek Anand

In this paper we propose and study the novel problem of explaining node embeddings by finding embedded human interpretable subspaces in already trained unsupervised node representation embeddings. We use an external knowledge base that is organized as a taxonomy of human-understandable concepts over entities as a guide to identify subspaces in node embeddings learned from an entity graph derived from Wikipedia. We propose a method that given a concept finds a linear transformation to a subspace where the structure of the concept is retained. Our initial experiments show that we obtain low error in finding fine-grained concepts.

Megha Khosla, Vinay Setty, Avishek Anand

There has been appreciable progress in unsupervised network representation learning (UNRL) approaches over graphs recently with flexible random-walk approaches, new optimization objectives and deep architectures. However, there is no common ground for systematic comparison of embeddings to understand their behavior for different graphs and tasks. In this paper we theoretically group different approaches under a unifying framework and empirically investigate the effectiveness of different network representation methods. In particular, we argue that most of the UNRL approaches either explicitly or implicit model and exploit context information of a node. Consequently, we propose a framework that casts a variety of approaches -- random walk based, matrix factorization and deep learning based -- into a unified context-based optimization function. We systematically group the methods based on their similarities and differences. We study the differences among these methods in detail which we later use to explain their performance differences (on downstream tasks). We conduct a large-scale empirical study considering 9 popular and recent UNRL techniques and 11 real-world datasets with varying structural properties and two common tasks -- node classification and link prediction. We find that there is no single method that is a clear winner and that the choice of a suitable method is dictated by certain properties of the embedding methods, task and structural properties of the underlying graph. In addition we also report the common pitfalls in evaluation of UNRL methods and come up with suggestions for experimental design and interpretation of results.

Avishek Anand, Megha Khosla, Jaspreet Singh et al.

Word embeddings are a powerful approach for analyzing language and have been widely popular in numerous tasks in information retrieval and text mining. Training embeddings over huge corpora is computationally expensive because the input is typically sequentially processed and parameters are synchronously updated. Distributed architectures for asynchronous training that have been proposed either focus on scaling vocabulary sizes and dimensionality or suffer from expensive synchronization latencies. In this paper, we propose a scalable approach to train word embeddings by partitioning the input space instead in order to scale to massive text corpora while not sacrificing the performance of the embeddings. Our training procedure does not involve any parameter synchronization except a final sub-model merge phase that typically executes in a few minutes. Our distributed training scales seamlessly to large corpus sizes and we get comparable and sometimes even up to 45% performance improvement in a variety of NLP benchmarks using models trained by our distributed procedure which requires $1/10$ of the time taken by the baseline approach. Finally we also show that we are robust to missing words in sub-models and are able to effectively reconstruct word representations.

Megha Khosla, Jurek Leonhardt, Wolfgang Nejdl et al.

We propose a novel approach for learning node representations in directed graphs, which maintains separate views or embedding spaces for the two distinct node roles induced by the directionality of the edges. We argue that the previous approaches either fail to encode the edge directionality or their encodings cannot be generalized across tasks. With our simple \emph{alternating random walk} strategy, we generate role specific vertex neighborhoods and train node embeddings in their corresponding source/target roles while fully exploiting the semantics of directed graphs. We also unearth the limitations of evaluations on directed graphs in previous works and propose a clear strategy for evaluating link prediction and graph reconstruction in directed graphs. We conduct extensive experiments to showcase our effectiveness on several real-world datasets on link prediction, node classification and graph reconstruction tasks. We show that the embeddings from our approach are indeed robust, generalizable and well performing across multiple kinds of tasks and graphs. We show that we consistently outperform all baselines for node classification task. In addition to providing a theoretical interpretation of our method we also show that we are considerably more robust than the other directed graph approaches.

Jurek Leonhardt, Avishek Anand, Megha Khosla

Recent works in recommendation systems have focused on diversity in recommendations as an important aspect of recommendation quality. In this work we argue that the post-processing algorithms aimed at only improving diversity among recommendations lead to discrimination among the users. We introduce the notion of user fairness which has been overlooked in literature so far and propose measures to quantify it. Our experiments on two diversification algorithms show that an increase in aggregate diversity results in increased disparity among the users.