Publications, Posters, etc.
My Google Scholar is kept better updated.
Preprint
mCLM: A Function-Infused and Synthesis-Friendly Modular Chemical Language Model
Carl Edwards, Chi Han, Gawon Lee, Thao Nguyen, Bowen Jin, Chetan Kumar Prasad, Sara Szymkuć, Bartosz A. Grzybowski, Ying Diao, Jiawei Han, Ge Liu, Hao Peng, Martin D. Burke, and Heng Ji
arXiv preprint arXiv:2505.12565. 2025.
[pdf]
Conference
Translation between Molecules and Natural Language
Carl Edwards*, Tuan Lai*, Kevin Ros, Garrett Honke, Kyunghyun Cho, and Heng Ji
Proceedings of the 2022 Conference on Empirical Methods in Natural Language Processing (EMNLP). 2022.
[pdf] [code]
Text2Mol: Cross-Modal Molecular Retrieval with Natural Language Queries
Carl Edwards, ChengXiang Zhai, and Heng Ji
Proceedings of the 2021 Conference on Empirical Methods in Natural Language Processing (EMNLP). 2021.
[pdf] [video - on underline] [code]
ChemReasoner: Heuristic Search over a Large Language Model’s Knowledge Space using Quantum-Chemical Feedback
Henry W. Sprueill, Carl Edwards, Khushbu Agarwal, Mariefel V. Olarte, Udishnu Sanyal, Conrad Johnston, Hongbin Liu, Heng Ji, and Sutanay Choudhury Proceedings of the 2024 Internation Conference on Machine Learning (ICML). 2024.
[pdf]
SynerGPT: In-Context Learning for Personalized Drug Synergy Prediction and Drug Design
Carl Edwards, Aakanksha Naik, Tushar Khot, Martin D Burke, Heng Ji, and Tom Hope
Proceedings of the First Conference on Language Modeling (COLM). 2024.
[pdf]
MolCap-Arena: A Comprehensive Captioning Benchmark on Language-Enhanced Molecular Property Prediction
Carl Edwards, Ziqing Lu, Ehsan Hajiramezanali, Tommaso Biancalani, Heng Ji, Gabriele Scalia
ICLR Workshop on Machine Learning for Genomics Explorations (MLGenX). 2025.
[pdf]
L+M-24: Building a Dataset for Language+Molecules @ ACL 2024
Carl Edwards, Qingyun Wang, Lawrence Zhao, Heng Ji Proceedings of the 1st Workshop on Language + Molecules (L+M 2024) at ACL 2024. 2024.
[pdf] [code]
Geometry Informed Tokenization of Molecules for Language Model Generation
Xiner Li, Limei Wang, Youzhi Luo, Carl Edwards, Shurui Gui, Yuchao Lin, Heng Ji, Shuiwang Ji
Proceedings of The Forty-second International Conference on Machine Learning (ICML). 2025.
[pdf]
GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices
Thao Nguyen, Tiara Torres-Flores, Changhyun Hwang, Carl Edwards, Ying Diao, Heng Ji
Proceedings of the 33rd ACM International Conference on Information and Knowledge Management (CIKM). 2024.
[pdf]
Invariant Tokenization of Crystalline Materials for Language Model Enabled Generation
Keqiang Yan, Xiner Li, Hongyi Ling, Kenna Ashen, Carl Edwards, Raymundo Arroyave, Marinka Zitnik, Heng Ji, Xiaofeng Qian, Xiaoning Qian, Shuiwang Ji
Proceedings of The Thirty-eighth Annual Conference on Neural Information Processing Systems (NeurIPS). 2024.
[pdf]
Defining a New NLP Playground
Sha Li, Chi Han, Pengfei Yu, Carl Edwards, Manling Li, Xingyao Wang, Yi Fung, Charles Yu, Joel R. Tetreault, Eduard H Hovy, and Heng Ji Proceedings of the 2023 Conference on Empirical Methods in Natural Language Processing (EMNLP) Findings. 2023.
[pdf]
Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design
Henry William Sprueill, Carl Edwards, Mariefel V Olarte, Udishnu Sanyal, Heng Ji, and Sutanay Choudhury
Proceedings of the 2023 Conference on Empirical Methods in Natural Language Processing (EMNLP) Findings. 2023.
[pdf] [code]
Semi-supervised New Event Type Induction and Description via Contrastive Loss-Enforced Batch Attention
Carl Edwards and Heng Ji
Proc. The 17th Conference of the European Chapter of the Association for Computational Linguistics (EACL). 2023.
[pdf]
Team Skeletor at Touché 2021: Argument Retrieval and Visualization for Controversial Questions
Kevin Ros*, Carl Edwards*, Heng Ji, and ChengXiang Zhai
CLEF (Working Notes) 2441-2454. 2021.
[pdf] [video] [code]
RESIN-11: Schema-guided Event Prediction for 11 Newsworthy Scenarios
Xinya Du, Zixuan Zhang, Sha Li, Pengfei Yu, Hongwei Wang, Tuan Manh Lai, Xudong Lin, Ziqi Wang, Iris Liu, Ben Zhou, Haoyang Wen, Manling Li, Darryl Hannan, Qi Zeng, Qing Lyu, Charles Yu, Carl Edwards, Xiaomeng Jin, Yizhu Jiao, Ghazaleh Kazeminejad, Rotem Dror, Zhenhailong Wang, Chris Callison-Burch, Mohit Bansal, Carl Vondrick, Jiawei Han, Dan Roth, Shih-Fu Chang, Martha Palmer and Heng Ji
Proc. 2022 Annual Conference of the North American Chapter of the Association for Computational Linguistics (NAACL2022) System Demonstration Track
* - equal contribution
Journal Article
In-plane and out-of-plane rotational motion of individual chain molecules in steady shear flow of polymer melts and solutions
C.N. Edwards, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, J. Mol. Graph. Model., 81, 184-196 (2018).
[link]
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, […], Carl Edwards, […], Alán Aspuru-Guzik, Erik Bekkers, Michael Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, and Shuiwang Ji
Foundations and Trends in Machine Learning. 2025.
[pdf]
Using Similarity Measures to Detect Organizations in Online Escort Advertisements
C. Edwards, A. Wertz, and A. Dubrawski, Robotics Institute Summer Scholar’ Working Papers Journal, 7, 43-49 (2019).
[pdf]
Presentations
Integrating generative AI with computational chemistry for catalyst design in biofuel/bioproduct applications. Sprueill H.W., C. Edwards, M.V. Olarte, U. Sanyal, H. Ji, and S. Choudhury. American Chemical Society Spring 2024 National Meeting, New Orleans, Louisiana. March 18, 2024.
Out-of-plane rotational motion in shear flow of polymer melts and solutions. M.H. Nafar Sefiddashti, C.N. Edwards, B.J. Edwards, and B. Khomami, The Society of Rheology 89th Annual Meeting, Denver, CO, October 8-12, 2017.
Posters
Semi-supervised New Event Type Induction
Using Similarity Measures to Detect Organizations in Online Escort Advertisements
Subarrayed Radar Arrays Beam Optimization
Extreme-Scale Heterogeneous Inference with Large Language Models and Atomistic Graph Neural Networks for Catalyst Discovery. Sprueill H.W., C. Edwards, M.V. Olarte, U. Sanyal, K. Agarwal, H. Ji, and S. Choudhury. 03/18/2024. American Chemical Society Spring 2024 National Meeting, New Orleans, Louisiana.
Other
Daniel, Barry, Carl Edwards, and Adam Anderson. “Phase-Only Beam Broadening of Contiguous Uniform Subarrayed Arrays Utilizing Three Metaheuristic Global Optimization Techniques.” arXiv preprint arXiv:2009.06123 (2020).
[pdf]