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Posts by GrimmLab

Infografik mit Veranstaltungsname (BioKI) sowie Datum (10. November 2025) und Ort (BMFTR Berlin)

Infografik mit Veranstaltungsname (BioKI) sowie Datum (10. November 2025) und Ort (BMFTR Berlin)

SAVE THE DATE!

♻️ 🤖 BioKI Konferenz – eine Veranstaltung des Bundesministerium für Forschung, Technologie und Raumfahrt (BMFTR)

🗓️ Wann: 10. November 2025
📍Wo: Alexander-von-Humboldt-Saal | BMFTR | Berlin
💬 Was: Bioökonomie x KI

Mehr Infos zum Programm + den Speakern hier: ki-biooekonomie.de

9 months ago 1 1 0 0
A molecular graph is processed by a graph transformer which adds a bond.

A molecular graph is processed by a graph transformer which adds a bond.

Pirnay, Rittig, Wolf et al. @dominikgrimm.bsky.social present GraphXForm, a graph-based molecule generator using transformers for constrained molecular design. It outperforms string-based methods in drug and solvent tasks with deep cross-entropy and self-improvement learning. doi.org/10.1039/D4DD...

1 year ago 2 1 0 0

Happy to share that our paper "Self-Improvement for Neural Combinatorial Optimization: Sample Without Replacement, but Improvement" (openreview.net/forum?id=agT...) published @tmlr-pub.bsky.social and awarded a 'Featured Certification', has been invited to be presented @iclr-conf.bsky.social #TUMCS

1 year ago 2 0 0 0