Good Papers

Showing papers from Technical University of Munich / Pruna AI Show all papers

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3D Molecule Generation from Rigid Motifs via $\mathrm{SE}(3)$ Flows

Roman Poletukhin, Marcel Kollovieh, Eike S. Eberhard, Stephan Günnemann

Sydney Poster Session 3, Wed, Dec 9, 10:00 AM–1:00 PM, Hall 1-4 · Published 2026

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1/20 AI panelreviewers recommend it

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AI panel: 1 of 20 reviewers recommend it
lenient 1/5
medium 0/10
strict 0/5
91%Must read
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Transferable SCF-Acceleration through Solver-Aligned Initialization Learning

Solver-Aligned Initialization Learning differentiates through SCF solvers to train transferable ML initial guesses, reducing iterations by up to 37% on molecules up to 10× larger than training data.

Eike S. Eberhard, Viktor Kotsev, Timm Güthle, Stephan Günnemann

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

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18/20 AI panelreviewers recommend it

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AI panel: 18 of 20 reviewers recommend it
lenient 4/5
medium 10/10
strict 4/5
86%Must read
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Diffusion LLMs are Natural Adversaries for any LLM

Diffusion LLMs amortize adversarial prompt optimization by directly generating diverse, transferable jailbreak prompts that bypass black-box target models.

David Lüdke, Tom Wollschläger, Paul Ungermann, Stephan Günnemann and 1 more

Sydney Poster Session 4, Wed, Dec 9, 5:00 PM–8:00 PM, Hall 1-4 · Published 2026 · ▲ 2 on Hugging Face

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14/20 AI panelreviewers recommend it

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AI panel: 14 of 20 reviewers recommend it
lenient 5/5
medium 7/10
strict 2/5
88%Must read
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A Scalable Multi-Task Model for Virtual Sensors

A multi-task virtual sensor model predicts diverse targets via shared representations, reducing computation up to 415x and memory 951x while improving accuracy over isolated and foundation alternatives.

Leon Götz, Lars Frederik Peiss, Erik Sauer, Andreas U Sass and 3 more

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

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15/20 AI panelreviewers recommend it

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AI panel: 15 of 20 reviewers recommend it
lenient 5/5
medium 7/10
strict 3/5