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High-Dimensional Similarity Search with Quantum-Assisted Variational Autoencoder.

, , , , , and . KDD, page 956-964. ACM, (2020)

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Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions., and . ICLR, OpenReview.net, (2022)Generalizing Neural Wave Functions., and . ICML, volume 202 of Proceedings of Machine Learning Research, page 10708-10726. PMLR, (2023)High-Dimensional Similarity Search with Quantum-Assisted Variational Autoencoder., , , , , and . KDD, page 956-964. ACM, (2020)Quantum Robustness Verification: A Hybrid Quantum-Classical Neural Network Certification Algorithm., , , , and . QCE, page 142-153. IEEE, (2022)Ewald-based Long-Range Message Passing for Molecular Graphs., , , and . ICML, volume 202 of Proceedings of Machine Learning Research, page 17544-17563. PMLR, (2023)Fast and Flexible Temporal Point Processes with Triangular Maps., , , and . NeurIPS, (2020)Sampling-free Inference for Ab-Initio Potential Energy Surface Networks., and . ICLR, OpenReview.net, (2023)Uncertainty Estimation for Molecules: Desiderata and Methods., , , , and . ICML, volume 202 of Proceedings of Machine Learning Research, page 37133-37156. PMLR, (2023)Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations., and . CoRR, (2024)On Representing Electronic Wave Functions with Sign Equivariant Neural Networks., and . CoRR, (2024)