Projects

Workshop Paper

• Open Source Infrastructure for Differentiable Density Functional Theory, Synergy of Scientific and Machine Learning Modeling, ICML 2023 Workshop, Advika Vidhyadhiraja, Arun Pa Thiagarajan, Shang Zhu, Venkat Viswanathan, Bharath Ramsundar.

Poster

• Potential Biases in Using Machine Learning for Healthcare Applications, RBC-FCAI Deployable AI, 2022, Arun Pa Thiagarajan.

Unpublished Manuscript

• Data-Driven Analysis of Food Corporation of India’s Operations and Recommendations, Communications of the ACM Regional Section on India Region, Arun Pa Thiagarajan, Nehal Muthukumar, Shamshu Dharwez Saganvali.

Open Source

• DeepChem - Contributed machine learning model architectures to the open-source scientific machine learning library DeepChem and enhanced its testing infrastructure by contributing to the CI/CD pipeline and expanding test coverage.
• Contributed patches to PyTorch and PyTorch-Geometric.
• Implemented a PyTorch version of the paper Time Series Anomaly Detection using Generative Adversarial Networks for performing anomaly detection in time series data (code).

Patent

• Techniques for a cloud scientific machine learning programming environment.