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Rahul Nandakumar

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

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2 published item(s)

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