Education has been at the forefront of many issues in Arizona over the past several years with concerns over lack of funding sparking the Red for Ed movement. However, despite the push for educational change, there remain many barriers to education including a lack of visibility for how Arizona schools are performing at a legislative district level. While there are sources of information released at a school district level, many of these are limited and can become obscure to legislators when such school districts lie on the boundary between 2 different legislative districts. Moreover, much of this information is in the form of raw spreadsheets and is often fragmented between government websites and educational organizations. As such, a visualization dashboard that clearly identifies schools and their relative performance within each legislative district would be an extremely valuable tool to legislative bodies and the Arizona public. Although this dashboard and research are rough drafts of a larger concept, they would ideally increase transparency regarding public information about these districts and allow legislators to utilize the dashboard as a tool for greater understanding and more effective policymaking.

The focus of my honors thesis is to find ways to use deep learning in tandem with tools in statistical mechanics to derive new ways to solve problems in biophysics. More specifically, I’ve been interested in finding transition pathways between two known states of a biomolecule. This is because understanding the mechanisms in which proteins fold and ligands bind is crucial to creating new medicines and understanding biological processes. In this thesis, I work with individuals in the Singharoy lab to develop a formulation to utilize reinforcement learning and sampling-based robotics planning to derive low free energy transition pathways between two known states. Our formulation uses Jarzynski’s equality and the stiff-spring approximation to obtain point estimates of energy, and construct an informed path search with atomistic resolution. At the core of this framework, is our first ever attempt we use a policy driven adaptive steered molecular dynamics (SMD) to control our molecular dynamics simulations. We show that both the reinforcement learning (RL) and robotics planning realization of the RL-guided framework can solve for pathways on toy analytical surfaces and alanine dipeptide.