Purdue University Graduate School
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Classical and Quantum Optimization for Scientific Computation

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posted on 2023-07-25, 16:23 authored by Shree Hari SureshbabuShree Hari Sureshbabu

Optimization and Machine learning (ML) have emerged as two positively disruptive methodologies and have thus resulted in unprecedented applications in several domains of technology. In recent years, ML has forayed into physical sciences and provided promising outcomes thanks to its ability in representing and generalizing complex functions to reveal underlying relations among variables describing a system. By casting ML as an optimization task, we first focus on its application in solving quantum many-body problems. Leveraging the power of quantum computation, we develop hybrid quantum machine learning protocols and implement benchmark tests to calculate the band structures of two-dimensional materials. We also show how this method can be used to estimate the critical point for a quantum phase transition. One  hurdle in such techniques is related to parameter optimization, wherein to obtain the desired result, the parameters have to be optimized, which can be computationally intensive. For a particular class of problem and a choice of algorithm, we deduce a simple parameter setting rule. This rule is projected as a heuristic and is validated numerically for several problem instances. Finally, by venturing into thermal photonics, a framework that takes advantage of the spectral and spatial information of hyperspectral thermal images to establish a completely passive machine perception, titled HADAR is presented. A conventional deep neural network is developed that utilizes the governing equation of HADAR and its performance in semantic segmentation is demonstrated. Altogether, this report establishes the need for creative algorithms that exploit modern hardware to solve complex problems that were previously deemed unsolvable.


Degree Type

  • Doctor of Philosophy


  • Electrical and Computer Engineering

Campus location

  • West Lafayette

Advisor/Supervisor/Committee Chair

Sabre Kais

Advisor/Supervisor/Committee co-chair

Zubin Jacob

Additional Committee Member 2

Vaneet Aggarwal

Additional Committee Member 3

Hadiseh Alaeian