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Deepayan Chakrabarti

Deepayan Chakrabarti appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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Machine Learning Social and Information Networks Artificial Intelligence physics.soc-ph cond-mat.stat-mech Populations and Evolution

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preprint2026arXiv

COPYCOP: Ownership Verification for Graph Neural Networks

Given two GNNs that output node embeddings, how can we determine if they were trained independently? An adversary could have trained one GNN specifically to mimic the other GNN's embeddings. To obscure this relationship between the GNNs, the adversarial GNN might then transform its output embeddings. The two GNNs could have different architectures, weights, and embedding dimensions, and the adversary can transform the embeddings. Despite these stringent conditions, our algorithm (named CopyCop) can identify such copycat GNNs, unlike existing watermarking and fingerprinting methods. We also provide theoretical guarantees for CopyCop. Finally, experiments on 14 datasets and 5 GNN architectures demonstrate that CopyCop is accurate and robust against a broad class of adversarial attacks and transformations. Code is available at: https://anonymous.4open.science/r/CopyCop-Graph-Ownership-Verification-8143/README.md

preprint2026arXiv

SPADE: Faster Drug Discovery by Learning from Sparse Data

Drug discovery seeks molecules (ligands) that bind strongly and selectively to a target protein. However, fewer than 5% of candidate ligands pass the bar for even the early stages of drug discovery. Furthermore, we want methods that work for novel proteins for which we have no prior data. Starting from scratch, we have to iteratively select and test candidate ligands such that we find enough ligands of the desired quality in as few tests as possible. Our proposed algorithm, named SPADE, introduces a novel approach to ligand selection that requires only 40 tests on average to find 10 high-quality ligands. In one-vs-one comparisons, SPADE outperforms deep learning and Bayesian optimization methods on more proteins, achieving median improvements of 7%-32% in sample efficiency. SPADE is also 10x faster than its closest competitor at scoring candidate drugs. Dataset and code is available at https://anonymous.4open.science/r/SPADE_Fast_Drug_Discovery_by_Learning_from_Sparse_Data-F028/README.md

preprint2014arXiv

Joint Inference of Multiple Label Types in Large Networks

We tackle the problem of inferring node labels in a partially labeled graph where each node in the graph has multiple label types and each label type has a large number of possible labels. Our primary example, and the focus of this paper, is the joint inference of label types such as hometown, current city, and employers, for users connected by a social network. Standard label propagation fails to consider the properties of the label types and the interactions between them. Our proposed method, called EdgeExplain, explicitly models these, while still enabling scalable inference under a distributed message-passing architecture. On a billion-node subset of the Facebook social network, EdgeExplain significantly outperforms label propagation for several label types, with lifts of up to 120% for recall@1 and 60% for recall@3.

preprint2013arXiv

Nonparametric Link Prediction in Large Scale Dynamic Networks

We propose a nonparametric approach to link prediction in large-scale dynamic networks. Our model uses graph-based features of pairs of nodes as well as those of their local neighborhoods to predict whether those nodes will be linked at each time step. The model allows for different types of evolution in different parts of the graph (e.g, growing or shrinking communities). We focus on large-scale graphs and present an implementation of our model that makes use of locality-sensitive hashing to allow it to be scaled to large problems. Experiments with simulated data as well as five real-world dynamic graphs show that we outperform the state of the art, especially when sharp fluctuations or nonlinearities are present. We also establish theoretical properties of our estimator, in particular consistency and weak convergence, the latter making use of an elaboration of Stein's method for dependency graphs.

preprint2012arXiv

Nonparametric Link Prediction in Dynamic Networks

We propose a non-parametric link prediction algorithm for a sequence of graph snapshots over time. The model predicts links based on the features of its endpoints, as well as those of the local neighborhood around the endpoints. This allows for different types of neighborhoods in a graph, each with its own dynamics (e.g, growing or shrinking communities). We prove the consistency of our estimator, and give a fast implementation based on locality-sensitive hashing. Experiments with simulated as well as five real-world dynamic graphs show that we outperform the state of the art, especially when sharp fluctuations or non-linearities are present.

preprint2010arXiv

Got the Flu (or Mumps)? Check the Eigenvalue!

For a given, arbitrary graph, what is the epidemic threshold? That is, under what conditions will a virus result in an epidemic? We provide the super-model theorem, which generalizes older results in two important, orthogonal dimensions. The theorem shows that (a) for a wide range of virus propagation models (VPM) that include all virus propagation models in standard literature (say, [8][5]), and (b) for any contact graph, the answer always depends on the first eigenvalue of the connectivity matrix. We give the proof of the theorem, arithmetic examples for popular VPMs, like flu (SIS), mumps (SIR), SIRS and more. We also show the implications of our discovery: easy (although sometimes counter-intuitive) answers to `what-if' questions; easier design and evaluation of immunization policies, and significantly faster agent-based simulations.