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NeurIPS 2026OxfordWellcome Sanger Institute / UnivSynteny AIU OxfordMolecules & drug discovery

AI for Drug Discovery Models Often Do Not Learn as Expected and How to Diagnose These Failure Modes

Nikhil Branson, Aaron Wenteler, Guy Durant, Charlotte Deane

Sydney Poster Session 5, Thu, Dec 10, 10:00 AM–1:00 PM, Hall 1-4 · Published 2026

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lenient 2/5
medium 1/10
strict 0/5
45%Niche pick
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NeurIPS 2026EPFL - EPF LausanneOxfordEPFLGraph neural networks

Hierarchical Graph Representation Learning with Pooling-Induced Substructures

Luca Sbicego, Xiaowen Dong, Dorina Thanou

Paris Poster Session 6, Fri, Dec 11, 2:30 PM–4:30 PM, Paris Poster Hall · Published 2026

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NeurIPS 2026University College LondonPhysicsXAIDOS Lab, Department of ComputeOxfordInVivoAIGraph neural networks

Graph and Simplicial Complex Prediction Gaussian Process via Hodgelet Representations

Mathieu Alain, So Takao, Bastian Rieck, Xiaowen Dong and 1 more

Sydney Poster Session 4, Wed, Dec 9, 5:00 PM–8:00 PM, Hall 1-4 · Published 2026

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71%Highly rated
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NeurIPS 2026U OxfordMax Planck Institute for MultidiInstitue for Advanced Study, PriMax PlancInstitute for MultidiscOxfordGraph generation

Permutation-Invariant Spectral Learning via Dyson Diffusion

Dyson Diffusion Model uses Dyson Brownian motion to shift inductive bias to diffusion dynamics, yielding permutation-invariant spectral learning that improves graph generation.

Tassilo Schwarz, Cai Dieball, Constantin Kogler, Renaud Lambiotte and 3 more

Sydney Poster Session 2, Tue, Dec 8, 5:00 PM–8:00 PM, Hall 1-4 · Published 2026

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6/20 AI panelreviewers recommend it

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lenient 2/5
medium 4/10
strict 0/5
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NeurIPS 2026U OxfordMila / Université de MontréalGoogle DeepMind / U. de MontrealMila, U. MontrealUSIMechanistic interpretability

A Mechanistic Analysis of Looped Reasoning Language Models

Looped reasoning models converge to cyclic fixed points that stabilize attention and repeat feedforward inference stages iteratively, with recurrence size and normalization affecting stability.

Hugh Blayney, Alvaro Arroyo, Johan Obando Ceron, Pablo Samuel Castro and 3 more

Sydney Poster Session 2, Tue, Dec 8, 5:00 PM–8:00 PM, Hall 1-4 · Published 2026 · ▲ 1 on Hugging Face

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AI panel: 6 of 20 reviewers recommend it
lenient 3/5
medium 3/10
strict 0/5