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19962026
most citedJunction Tree Variational Autoencoder for Molecular Graph Generation

828 citations · 5.6k across the 171 of their papers we have counts for

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8 papers · 1 filter

cs.AI2026

WorldAuditBench: Interactive 3D World Auditing with Multimodal Agents

Ziyan Jiang, Jingbo Yang, Jiabao Ji +5

As interactive 3D worlds are increasingly used to study intelligent behavior, it becomes important to develop efficient pipelines for identifying anomalies in these simulated envir…

cs.AI2026

From Surfaces to Volumes: Registered Geometry for Protein Representation Learning

Siyuan Chen, Cai Zhou, Jinrui Zhang +8

Existing protein geometry models typically represent molecular surfaces using local geometric features such as sampled points, normals, and curvature. While effective for capturing…

cs.AI2025

Coevolutionary Continuous Discrete Diffusion: Make Your Diffusion Language Model a Latent Reasoner

Cai Zhou, Chenxiao Yang, Yi Hu +7

Diffusion language models, especially masked discrete diffusion models, have achieved great success recently. While there are some theoretical and primary empirical results showing…

cs.AI2021★ 26 cited

Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking

Octavian-Eugen Ganea, Xinyuan Huang, Charlotte Bunne +4

Protein complex formation is a central problem in biology, being involved in most of the cell's processes, and essential for applications, e.g. drug design or protein engineering.…

cs.AI2013★ 57 cited

Computing Upper and Lower Bounds on Likelihoods in Intractable Networks

Tommi S. Jaakkola, Michael I. Jordan

We present deterministic techniques for computing upper and lower bounds on marginal probabilities in sigmoid and noisy-OR networks. These techniques become useful when the size of…

cs.AI2012★ 60 cited

Proceedings of the Twenty-First Conference on Uncertainty in Artificial Intelligence (2005)

Fahiem Bacchus, Tommi Jaakkola

This is the Proceedings of the Twenty-First Conference on Uncertainty in Artificial Intelligence, which was held in Edinburgh, Scotland July 26 - 29 2005.