FROMANNUAL REVIEWS

RingFormer: A Ring-Enhanced Graph Transformer for Organic Solar Cell Property Prediction

Content not yet available

This lecture has no active video or poster.

AAAI 2025

•

February 27, 2025

•

Philadelphia, United States

keywords:

natural sciences

app

Organic Solar Cells (OSCs) are a promising technology for sustainable energy production. However, the identification of molecules with desired OSC properties typically involves laborious experimental research. To accelerate progress in the field, it is crucial to develop machine learning models capable of accurately predicting the properties of OSC molecules. While graph representation learning has demonstrated success in molecular property prediction, it remains under-explored for OSC-specific tasks. Existing methods fail to capture the unique structural features of OSC molecules, particularly the intricate ring systems that critically influence OSC properties, leading to suboptimal performance. To fill the gap, we present RingFormer, a novel graph transformer framework specially designed to capture both atom and ring-level structural patterns in OSC molecules. RingFormer constructs a hierarchical graph that integrates atomic and ring structures and employs a combination of local message-passing and global attention mechanisms to generate expressive graph representations for accurate OSC property prediction. We evaluate RingFormer's effectiveness on five curated OSC molecule datasets through extensive experiments. The results demonstrate that RingFormer consistently outperforms existing methods, achieving a 22.77% relative improvement over the nearest competitor on the CEPDB dataset. The code is available at https://anonymous.4open.science/r/OSC-3148.

Downloads

SlidesPaper

Next from AAAI 2025

DiveR-CT: Diversity-enhanced Red Teaming Large Language Model Assistants with Relaxing Constraints
technical paper

DiveR-CT: Diversity-enhanced Red Teaming Large Language Model Assistants with Relaxing Constraints

AAAI 2025

Andrew Zhao
Matthieu Lin
+4
Andrew Zhao and 6 other authors

27 February 2025

Similar lecture

MT-OSC: Path for LLMs that Get Lost in Multi-Turn Conversation
poster

MT-OSC: Path for LLMs that Get Lost in Multi-Turn Conversation

ACL 2026

Sandip Ghoshal
+6
Miguel Ballesteros and 8 other authors

05 July 2026

Stay up to date with the latest Underline news!

Select topic of interest (you can select more than one)

PRESENTATIONS

  • All Presentations
  • For Librarians
  • Resource Center
  • Free Trial
Underline Science, Inc.
1216 Broadway, 2nd Floor, New York, NY 10001, USA

© 2026 Underline - All rights reserved

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.