Research Projects

We present the research projects that we offer to the students to work on for the semester. These are a range of interesting problems for students to work on under the supervision of the PhD students, and Prof. Venkat. The projects tend to be a semester-long effort, but can be extended beyond said duration based on the progress made.

Research Projects for Fall 2022

Research Projects for Spring 2022

Research Projects for Fall 2021

Black box model identification often involves intractability in functional transformations. In multiple engineering domains, large classes of mechanistic models have been proposed in literature, and it is unwise to not leverage this information.

Aim:

Estimating multiple input-output relationships from data
Increase code-base to include specific model forms for efficient model identification

We have built natural language-based models for performing reaction modeling – both in the forward and reverse directions. These models utilized context-free grammars (CFG) for incorporating chemistry information. Our objective is to extend these ideas to build hybrid models using ontologies for drug discovery and manufacturing.

Aim:

Extend the NLP-based methods for molecule search/optimization
Populate ontologies using unstructured datasets using named entity recognition and relation extraction

AI in Drug Discovery

Explainable AI for Generating Mechanistic Explanations

AI for Drug Discovery and Manufacturing

Hybrid-AI Models for Reaction Network Discovery

Hybrid-AI Models for Black-Scholes Options Pricing

Scientific ML for Infectious Disease Modeling

Explainable AI (XAI) for Physicochemical Systems

Explainable AI (XAI) for Physicochemical Systems

AI for Drug Discovery and Manufacturing

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