{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/87095"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/87095","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Algorithms for Derivative-Free Optimization","abstract":"In this thesis, we begin by presenting a comprehensive list of available methods and software and performing an extensive computational study that compares the solvers over a publicly available problem set. Then, we develop Model and Search (M&S), a new local search algorithm for derivative-free optimization. M&S performs a local search from a given point. The search is guided by identifying descent directions from a quadratic model fitted around the best known point, while using information from other evaluated points. We prove that M&S enjoys global convergence to a stationary point. We also propose a new global search algorithm for derivative-free optimization problems, in particular the Branch and Model (B&M) algorithm that is based on modeling the function of interest around each evaluated point by using information from other nearby evaluated points. Algorithm B&M is shown to perform a dense search and thus converge to a global minimum. While oriented towards a global search, B&M relies on the M&S algorithm for occasional local searches. Finally, we present an application of derivative-free solvers, including B&M, to the protein-ligand docking problem. Results show that B&M delivers satisfactory ligand conformations, even outperforming the state-of-the-art protein docking software AutoDock.","abstract_html":"In this thesis, we begin by presenting a comprehensive list of available methods and software and performing an extensive computational study that compares the solvers over a publicly available problem set. Then, we develop Model and Search (M&S), a new local search algorithm for derivative-free optimization. M&S performs a local search from a given point. The search is guided by identifying descent directions from a quadratic model fitted around the best known point, while using information from other evaluated points. We prove that M&S enjoys global convergence to a stationary point. We also propose a new global search algorithm for derivative-free optimization problems, in particular the Branch and Model (B&M) algorithm that is based on modeling the function of interest around each evaluated point by using information from other nearby evaluated points. Algorithm B&M is shown to perform a dense search and thus converge to a global minimum. While oriented towards a global search, B&M relies on the M&S algorithm for occasional local searches. Finally, we present an application of derivative-free solvers, including B&M, to the protein-ligand docking problem. Results show that B&M delivers satisfactory ligand conformations, even outperforming the state-of-the-art protein docking software AutoDock.","abstract_has_math":false,"creators":["Rios, Luis Miguel"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Industrial Engineering","degree_department":null,"school":null,"contributors":["Nikolaos Sahinidis"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-28T15:37:23Z","date_published":"2015-09-28T15:37:23Z","updated_at":"2026-07-22T22:26:28Z","subjects":["Operations Research"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI3363076"],"render_values":[{"text":"(MiAaPQ)AAI3363076","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/87095","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Nikolaos Sahinidis"]},{"key":"dc:creator","label":"Author","values":["Rios, Luis Miguel"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-28T15:37:23Z","10000-01-01","2009"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Industrial Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Operations Research"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/87095","(MiAaPQ)AAI3363076"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["In this thesis, we begin by presenting a comprehensive list of available methods and software and performing an extensive computational study that compares the solvers over a publicly available problem set. 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