Publications | Siddharth Betala

2025

NeurIPS AI4Mat

LeMat-GenBench: Bridging the gap between crystal generation and materials discovery

Alexandre Duval, Siddharth Betala, Andy Xu, and 12 more authors

In AI for Accelerated Materials Discovery (AI4Mat) Workshop, NeurIPS, 2025

Workshop paper, to be submitted to Nature Computational Science

Spotlight Bib Code

Spotlight

@inproceedings{duval2025lemat-genbench,
  title = {LeMat-GenBench: Bridging the gap between crystal generation and materials discovery},
  author = {Duval, Alexandre and Betala, Siddharth and Xu, Andy and Gleason, Samuel P. and Channing, Georgia and Levy, Daniel and Ramlaoui, Ali and Fourrier, Clémentine and Kazeev, Nikita and Joshi, Chaitanya K. and Kaba, Sékou-Oumar and Therrien, Félix and Hernández-García, Alex and Mercado, Rocío and Krishnan, N M Anoop},
  booktitle = {AI for Accelerated Materials Discovery (AI4Mat) Workshop, NeurIPS},
  year = {2025},
  dimensions = {false},
  note = {Workshop paper, to be submitted to Nature Computational Science},
}

NeurIPS AI4Mat

LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature

Magdalena Lederbauer, Siddharth Betala, Xiyao Li, and 16 more authors

In AI for Accelerated Materials Discovery (AI4Mat) Workshop, NeurIPS, 2025

Workshop paper, to be submitted to Digital Discovery

Bib Code

@inproceedings{lederbauer2025lemat-synth,
  title = {LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature},
  author = {Lederbauer, Magdalena and Betala, Siddharth and Li, Xiyao and Jain, Ayush and Sehaba, Mohammed El Amine and Channing, Georgia and Germain, Grégoire and Leonescu, Anamaria and Flaifil, Faris and Amayuelas, Alfonso and Nozadze, Alexandre and Schmid, Stefan P. and Zaki, Mohd and Ethirajan, Sudheesh Kumar and Pan, Elton and Franckel, Mathilde L. D. and Duval, Alexandre and Krishnan, N M Anoop and Gleason, Samuel P.},
  booktitle = {AI for Accelerated Materials Discovery (AI4Mat) Workshop, NeurIPS},
  year = {2025},
  dimensions = {false},
  note = {Workshop paper, to be submitted to Digital Discovery}
}

2024

NeurIPS WiML

Out-of-Distribution performance as a proxy metric for graph neural network explainers in the absence of ground-truth explanations

Siddharth Betala, Guadalupe Gonzalez, and Chirag Agarwal

In Women in Machine Learning (WiML) Workshop, NeurIPS, 2024

Workshop poster, presented by Guadalupe Gonzalez

Bib

@inproceedings{betala2024out-of-distribution,
  title = {Out-of-Distribution performance as a proxy metric for graph neural network explainers in the absence of ground-truth explanations},
  author = {Betala, Siddharth and Gonzalez, Guadalupe and Agarwal, Chirag},
  booktitle = {Women in Machine Learning (WiML) Workshop, NeurIPS},
  year = {2024},
  dimensions = {false},
  note = {Workshop poster, presented by Guadalupe Gonzalez}
}

WMT, EMNLP

Brotherhood at WMT 2024: Leveraging LLM-Generated Contextual Conversations for Cross-Lingual Image Captioning

Siddharth Betala and Ishan Chokshi

In Ninth Conference on Machine Translation (WMT) at EMNLP, 2024

Bib HTML PDF

@inproceedings{betala2024brotherhood,
  title = {Brotherhood at WMT 2024: Leveraging LLM-Generated Contextual Conversations for Cross-Lingual Image Captioning},
  author = {Betala, Siddharth and Chokshi, Ishan},
  booktitle = {Ninth Conference on Machine Translation (WMT) at EMNLP},
  year = {2024},
  url = {https://aclanthology.org/2024.wmt-1.81/},
  dimensions = {true},
}

EMNLP Main

De-Identification of Sensitive Personal Data in Datasets Derived from IIT-CDIP

Stefan Larson, Nicole Cornehl Lima, Santiago Pedroza Diaz, and 9 more authors

In Proceedings of the 2024 Conference on Empirical Methods in Natural Language Processing (EMNLP), 2024

Bib HTML PDF

@inproceedings{larson2024deidentification,
  title = {De-Identification of Sensitive Personal Data in Datasets Derived from IIT-CDIP},
  author = {Larson, Stefan and Lima, Nicole Cornehl and Diaz, Santiago Pedroza and Joshi, Amogh Manoj and Betala, Siddharth and Suleiman, Jamiu Tunde and Mathur, Yash and Prajapati, Kaushal Kumar and Alakraa, Ramla and Shen, Junjie and Okotore, Temi and Leach, Kevin},
  booktitle = {Proceedings of the 2024 Conference on Empirical Methods in Natural Language Processing (EMNLP)},
  year = {2024},
  url = {https://aclanthology.org/2024.emnlp-main.1198/},
  dimensions = {true},
}

MLCB

Screening Protein Sequences Generated via Conditional Diffusion for Enhanced Fitness using a GNN-based Function Predictor

Siddharth Betala, Zhiqing Xu, Rana Ahmed Barghout, and 2 more authors

In Machine Learning for Computational Biology (MLCB), 2024

Poster presentation

Bib

@inproceedings{betala2024mlcb,
  title = {Screening Protein Sequences Generated via Conditional Diffusion for Enhanced Fitness using a GNN-based Function Predictor},
  author = {Betala, Siddharth and Xu, Zhiqing and Barghout, Rana Ahmed and Bhatt, Nirav and Mahadevan, Radhakrishnan},
  booktitle = {Machine Learning for Computational Biology (MLCB)},
  year = {2024},
  dimensions = {false},
  note = {Poster presentation}
}

2023

COBIOT

Advances in generative modeling methods and datasets to design novel enzymes for renewable chemicals and fuels

Rana A. Barghout, Zhiqing Xu, Siddharth Betala, and 1 more author

Current Opinion in Biotechnology, 2023

DOI Bib HTML

@article{barghout2023advances,
  title = {Advances in generative modeling methods and datasets to design novel enzymes for renewable chemicals and fuels},
  author = {Barghout, Rana A. and Xu, Zhiqing and Betala, Siddharth and Mahadevan, Radhakrishnan},
  journal = {Current Opinion in Biotechnology},
  volume = {84},
  pages = {103007},
  year = {2023},
  doi = {10.1016/j.copbio.2023.103007},
  url = {https://www.sciencedirect.com/science/article/abs/pii/S0958166923001179},
  dimensions = {true},
}