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Practical and Theoretical Advances in Constrained Bayesian Optimization and Bayesian Optimization for Machine Learning Systems
Practical and Theoretical Advances in Constrained Bayesian Optimization and Bayesian Optim...
Practical and Theoretical Advances in Constrained Bayesian Optimization and Bayesian Optimization for Machine Learning Systems

상세정보

자료유형  
 학위논문 서양
최종처리일시  
20250211151350
ISBN  
9798382843766
DDC  
004
저자명  
Zhang, Yunxiang.
서명/저자  
Practical and Theoretical Advances in Constrained Bayesian Optimization and Bayesian Optimization for Machine Learning Systems
발행사항  
[Sl] : Cornell University, 2024
발행사항  
Ann Arbor : ProQuest Dissertations & Theses, 2024
형태사항  
146 p
주기사항  
Source: Dissertations Abstracts International, Volume: 85-12, Section: B.
주기사항  
Advisor: Frazier, Peter.
학위논문주기  
Thesis (Ph.D.)--Cornell University, 2024.
초록/해제  
요약Recent advances in computationally efficient non-myopic Bayesian optimization (BO) improve query efficiency over traditional myopic methods like expected improvement while only modestly increasing computational cost. These advances have been largely limited, however, to unconstrained optimization. For constrained optimization, the few existing non-myopic BO methods require heavy computation. For instance, one existing non-myopic constrained BO method relies on computationally expensive unreliable brute-force derivative-free optimization of a Monte Carlo rollout acquisition function. Methods that use the reparameterization trick for more efficient derivative-based optimization of non-myopic acquisition functions in the unconstrained setting, like sample average approximation and infinitesimal perturbation analysis, do not extend: constraints introduce discontinuities in the sampled acquisition function surface that hinder its optimization. Moreover, we argue here that being non-myopic is even more important in constrained problems because fear of violating constraints pushes myopic methods away from sampling the boundary between feasible and infeasible regions, slowing the discovery of optimal solutions with tight constraints. In this work, we propose a computationally efficient two-step lookahead constrained Bayesian optimization acquisition function (2-OPT-C) supporting both sequential and batch settings. To enable fast acquisition function optimization, we develop a novel likelihood-ratio-based unbiased estimator of the gradient of the two-step optimal acquisition function that does not use the reparameterization trick. In numerical experiments, 2-OPT-C typically improves query efficiency by 2x or more over previous methods, and in some cases by 10x or more.Recent advances in Bayesian optimization with constraints (CBO) have significantly improved the sample query efficiency compared to the standard CBO algorithm, constrained expected improvement (EIC). Although the EIC is first proposed by [2] and rediscovered by [3], which is more than twenty years ago, there is no work focusing on the theoretical aspect of the EIC algorithm, especially regarding its consistency property. In this work, we show that EIC is inconsistent. In detail, we construct a counterexample where both the objective and constraint functions are piece-wise linear, and the Gaussian process priors are Wiener processes. Moreover, to overcome the inconsistency of EIC, we propose a new algorithm named Constrained Expected Improvement with Perturbation (EIC-P). We prove that EIC-P is consistent in the setting of reproducing kernel Hilbert space.Machine learning systems, consisting of various models, have shown superiority over single-model approaches in both academia and industry. However, tuning the hyperparameters of these systems is challenging. First, machine learning systems usually have numerous hyperparameters. Moreover, due to the interaction between models in the system, the hyperparameters of upstream models might also affect the downstream models. In this paper, we first provide a formal mathematical definition of a machine learning (ML) system. Also, we formulate the evaluation of an ML system and its components as a network of evaluation functions. Moreover, we provide extensive guidance on building effective Bayesian optimization function networks (BOFN) for the evaluation function network including evaluation metric design. Then, we investigate the efficacy of standard and grey-box Bayesian optimization (BO) algorithms for tuning hyperparameters for machine learning systems. The experiment results demonstrate that even if we utilize BOFN with simple structures to leverage partial information within ML systems regarding models' qualities, BOFN can still improve sample efficiency or compare favorably to standard BO methods.
일반주제명  
Computer science
일반주제명  
Statistics
일반주제명  
Applied mathematics
키워드  
Bayesian optimization
키워드  
Machine learning
키워드  
Hyperparameters
키워드  
Constrained expected improvement
키워드  
Perturbations
기타저자  
Cornell University Operations Research and Information Engineering
기본자료저록  
Dissertations Abstracts International. 85-12B.
전자적 위치 및 접속  
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MARC

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■1001  ▼aZhang,  Yunxiang.▼0(orcid)0009-0009-7033-1546
■24510▼aPractical  and  Theoretical  Advances  in  Constrained  Bayesian  Optimization  and  Bayesian  Optimization  for  Machine  Learning  Systems
■260    ▼a[Sl]▼bCornell  University▼c2024
■260  1▼aAnn  Arbor▼bProQuest  Dissertations  &  Theses▼c2024
■300    ▼a146  p
■500    ▼aSource:  Dissertations  Abstracts  International,  Volume:  85-12,  Section:  B.
■500    ▼aAdvisor:  Frazier,  Peter.
■5021  ▼aThesis  (Ph.D.)--Cornell  University,  2024.
■520    ▼aRecent  advances  in  computationally  efficient  non-myopic  Bayesian  optimization  (BO)  improve  query  efficiency  over  traditional  myopic  methods  like  expected  improvement  while  only  modestly  increasing  computational  cost.  These  advances  have  been  largely  limited,  however,  to  unconstrained  optimization.  For  constrained  optimization,  the  few  existing  non-myopic  BO  methods  require  heavy  computation.  For  instance,  one  existing  non-myopic  constrained  BO  method  relies  on  computationally  expensive  unreliable  brute-force  derivative-free  optimization  of  a  Monte  Carlo  rollout  acquisition  function.  Methods  that  use  the  reparameterization  trick  for  more  efficient  derivative-based  optimization  of  non-myopic  acquisition  functions  in  the  unconstrained  setting,  like  sample  average  approximation  and  infinitesimal  perturbation  analysis,  do  not  extend:  constraints  introduce  discontinuities  in  the  sampled  acquisition  function  surface  that  hinder  its  optimization.  Moreover,  we  argue  here  that  being  non-myopic  is  even  more  important  in  constrained  problems  because  fear  of  violating  constraints  pushes  myopic  methods  away  from  sampling  the  boundary  between  feasible  and  infeasible  regions,  slowing  the  discovery  of  optimal  solutions  with  tight  constraints.  In  this  work,  we  propose  a  computationally  efficient  two-step  lookahead  constrained  Bayesian  optimization  acquisition  function  (2-OPT-C)  supporting  both  sequential  and  batch  settings.  To  enable  fast  acquisition  function  optimization,  we  develop  a  novel  likelihood-ratio-based  unbiased  estimator  of  the  gradient  of  the  two-step  optimal  acquisition  function  that  does  not  use  the  reparameterization  trick.  In  numerical  experiments,  2-OPT-C  typically  improves  query  efficiency  by  2x  or  more  over  previous  methods,  and  in  some  cases  by  10x  or  more.Recent  advances  in  Bayesian  optimization  with  constraints  (CBO)  have  significantly  improved  the  sample  query  efficiency  compared  to  the  standard  CBO  algorithm,  constrained  expected  improvement  (EIC).  Although  the  EIC  is  first  proposed  by  [2]  and  rediscovered  by  [3],  which  is  more  than  twenty  years  ago,  there  is  no  work  focusing  on  the  theoretical  aspect  of  the  EIC  algorithm,  especially  regarding  its  consistency  property.  In  this  work,  we  show  that  EIC  is  inconsistent.  In  detail,  we  construct  a  counterexample  where  both  the  objective  and  constraint  functions  are  piece-wise  linear,  and  the  Gaussian  process  priors  are  Wiener  processes.  Moreover,  to  overcome  the  inconsistency  of  EIC,  we  propose  a  new  algorithm  named  Constrained  Expected  Improvement  with  Perturbation  (EIC-P).  We  prove  that  EIC-P  is  consistent  in  the  setting  of  reproducing  kernel  Hilbert  space.Machine  learning  systems,  consisting  of  various  models,  have  shown  superiority  over  single-model  approaches  in  both  academia  and  industry.  However,  tuning  the  hyperparameters  of  these  systems  is  challenging.  First,  machine  learning  systems  usually  have  numerous  hyperparameters.  Moreover,  due  to  the  interaction  between  models  in  the  system,  the  hyperparameters  of  upstream  models  might  also  affect  the  downstream  models.  In  this  paper,  we  first  provide  a  formal  mathematical  definition  of  a  machine  learning  (ML)  system.  Also,  we  formulate  the  evaluation  of  an  ML  system  and  its  components  as  a  network  of  evaluation  functions.  Moreover,  we  provide  extensive  guidance  on  building  effective  Bayesian  optimization  function  networks  (BOFN)  for  the  evaluation  function  network  including  evaluation  metric  design.  Then,  we  investigate  the  efficacy  of  standard  and  grey-box  Bayesian  optimization  (BO)  algorithms  for  tuning  hyperparameters  for  machine  learning  systems.  The  experiment  results  demonstrate  that  even  if  we  utilize  BOFN  with  simple  structures  to  leverage  partial  information  within  ML  systems  regarding  models'  qualities,  BOFN  can  still  improve  sample  efficiency  or  compare  favorably  to  standard  BO  methods.
■590    ▼aSchool  code:  0058.
■650  4▼aComputer  science
■650  4▼aStatistics
■650  4▼aApplied  mathematics
■653    ▼aBayesian  optimization
■653    ▼aMachine  learning
■653    ▼aHyperparameters
■653    ▼aConstrained  expected  improvement
■653    ▼aPerturbations
■690    ▼a0796
■690    ▼a0984
■690    ▼a0463
■690    ▼a0800
■690    ▼a0364
■71020▼aCornell  University▼bOperations  Research  and  Information  Engineering.
■7730  ▼tDissertations  Abstracts  International▼g85-12B.
■790    ▼a0058
■791    ▼aPh.D.
■792    ▼a2024
■793    ▼aEnglish
■85640▼uhttp://www.riss.kr/pdu/ddodLink.do?id=T17161393▼nKERIS▼z이  자료의  원문은  한국교육학술정보원에서  제공합니다.

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