A Tutorial on Formulating QUBO Models

Recent years have witnessed the remarkable discovery that the Quadratic Unconstrained Binary Optimization (QUBO) model unifies a wide variety of combinatorial optimization problems, and moreover is the foundation of adiabatic quantum computing and is the subject of study in neuromorphic computing. Through these connections, QUBO models lie at the heart of experimentation carried out with quantum computers developed by D-Wave Systems and neuromorphic computers developed by IBM and are actively being explored for their research and practical applications by Google and Lockheed Martin in the commercial realm and by Los Alamos National Laboratory, Oak Ridge National Laboratory and Lawrence Livermore National Laboratory in the public sector. Computational experience is being amassed by both the classical and the quantum computing communities that highlights not only the potential of the QUBO model but also its effectiveness as an alternative to traditional modeling and solution methodologies. This tutorial discloses the basic features of the QUBO that give it the power and flexibility to encompass the range of applications that have thrust it into prominence. We show how many different types of constraints arising in practice can be embodied within the “unconstrained” QUBO formulation in a very natural manner using penalty functions, yielding exact model representations in contrast to the approximate representations produced by customary uses of penalty functions. Each step of generating such models is illustrated in detail by simple numerical examples, to highlight the convenience of using QUBO models in numerous settings. We also describe recent innovations for solving QUBO models that offer a rich potential for integrating classical and quantum computing and for applying these models in machine learning. ECEE, College of Engineering and Applied Science, University of Colorado, Boulder, CO 80302 USA fred.glover@colorado.edu College of Business, University of Colorado at Denver, Denver, CO 80217 USA, gary.kochenberger@cudenver.edu 2 Table of

[1]  Andrew Lucas,et al.  Ising formulations of many NP problems , 2013, Front. Physics.

[2]  F. Glover HEURISTICS FOR INTEGER PROGRAMMING USING SURROGATE CONSTRAINTS , 1977 .

[3]  D. Averin,et al.  Role of single-qubit decoherence time in adiabatic quantum computation , 2008, 0803.1196.

[4]  Christian F. A. Negre,et al.  Detecting multiple communities using quantum annealing on the D-Wave system , 2019, PloS one.

[5]  Endre Boros,et al.  Quadratic reformulations of nonlinear binary optimization problems , 2016, Mathematical Programming.

[6]  Biao Wu,et al.  Exact Equivalence between Quantum Adiabatic Algorithm and Quantum Circuit Algorithm , 2017, Chinese Physics Letters.

[7]  Daniel A. Lidar,et al.  Quantum adiabatic machine learning , 2011, Quantum Inf. Process..

[8]  M. W. Johnson,et al.  Entanglement in a Quantum Annealing Processor , 2014, 1401.3500.

[9]  Stuart Hadfield,et al.  The Quantum Approximation Optimization Algorithm for MaxCut: A Fermionic View , 2017, 1706.02998.

[10]  John M. Mulvey,et al.  Integrative Population Analysis for Better Solutions to Large-Scale Mathematical Programs , 1998 .

[11]  James Clark,et al.  Towards Real Time Multi-robot Routing using Quantum Computing Technologies , 2019, HPC Asia.

[12]  Holger H. Hoos,et al.  Programming by optimization , 2012, Commun. ACM.

[13]  Angad Kalra,et al.  Portfolio Asset Identification Using Graph Algorithms on a Quantum Annealer , 2018 .

[14]  Masayuki Ohzeki,et al.  Control of Automated Guided Vehicles Without Collision by Quantum Annealer and Digital Devices , 2018, Front. Comput. Sci..

[15]  J. Jeffry Howbert,et al.  The Maximum Clique Problem , 2007 .

[16]  Fred W. Glover,et al.  An effective modeling and solution approach for the generalized independent set problem , 2006, Optim. Lett..

[17]  Leo Zhou,et al.  Quantum Approximate Optimization Algorithm: Performance, Mechanism, and Implementation on Near-Term Devices , 2018, Physical Review X.

[18]  Daniel A. Lidar,et al.  Decoherence in adiabatic quantum computation , 2015, 1503.08767.

[19]  Qingfeng Wang,et al.  An Introduction to Quantum Optimization Approximation Algorithm , 2018 .

[20]  Elizabeth Munch,et al.  Computing Wasserstein Distance for Persistence Diagrams on a Quantum Computer , 2018, ArXiv.

[21]  Fred Glover,et al.  Tabu Search and Adaptive Memory Programming — Advances, Applications and Challenges , 1997 .

[22]  Fred W. Glover,et al.  Solving large scale Max Cut problems via tabu search , 2013, J. Heuristics.

[23]  Endre Boros,et al.  Local search heuristics for Quadratic Unconstrained Binary Optimization (QUBO) , 2007, J. Heuristics.

[24]  Endre Boros,et al.  The max-cut problem and quadratic 0–1 optimization; polyhedral aspects, relaxations and bounds , 1991, Ann. Oper. Res..

[25]  Fred W. Glover,et al.  Integrating tabu search and VLSN search to develop enhanced algorithms: A case study using bipartite boolean quadratic programs , 2013, Eur. J. Oper. Res..

[26]  Steven P. Reinhardt,et al.  Partitioning Optimization Problems for Hybrid Classical/Quantum Execution TECHNICAL REPORT , 2017 .

[27]  Elisabeth Rodríguez-Heck Linear and quadratic reformulations of nonlinear optimization problems in binary variables , 2019, 4OR.

[28]  Pierre Hansen,et al.  Roof duality, complementation and persistency in quadratic 0–1 optimization , 1984, Math. Program..

[29]  Velimir V. Vesselinov,et al.  Nonnegative/Binary matrix factorization with a D-Wave quantum annealer , 2017, PloS one.

[30]  T Fletcher AN IMPORTANT DISCOVERY. , 1880, Science.

[31]  Florian Neukart,et al.  A Hybrid Solution Method for the Capacitated Vehicle Routing Problem Using a Quantum Annealer , 2018, Front. ICT.

[32]  Kathleen E. Hamilton,et al.  Neural Networks and Graph Algorithms with Next-Generation Processors , 2018, 2018 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW).

[33]  Fred W. Glover,et al.  A Template for Scatter Search and Path Relinking , 1997, Artificial Evolution.

[34]  Mark W. Lewis,et al.  A note on xQx as a modelling and solution framework for the Linear Ordering Problem , 2009 .

[35]  Hristo Djidjev,et al.  Finding Maximum Cliques on the D-Wave Quantum Annealer , 2018, Journal of Signal Processing Systems.

[36]  F. Glover,et al.  Tabu Search with Critical Event Memory: An Enhanced Application for Binary Quadratic Programs , 1999 .

[37]  Michael J. Berry,et al.  Weak pairwise correlations imply strongly correlated network states in a neural population , 2005, Nature.

[38]  Fred W. Glover,et al.  Clustering-driven evolutionary algorithms: an application of path relinking to the quadratic unconstrained binary optimization problem , 2019, J. Heuristics.

[39]  Fred W. Glover,et al.  Path relinking for unconstrained binary quadratic programming , 2012, Eur. J. Oper. Res..

[40]  Toshiyuki Miyazawa,et al.  Physics-Inspired Optimization for Quadratic Unconstrained Problems Using a Digital Annealer , 2018, Front. Phys..

[41]  Daniel A. Lidar,et al.  Evidence for quantum annealing with more than one hundred qubits , 2013, Nature Physics.

[42]  Travis S. Humble,et al.  Software systems for high-performance quantum computing , 2016, 2016 IEEE High Performance Extreme Computing Conference (HPEC).

[43]  Fred Glover,et al.  A Unified Framework for Modeling and Solving Combinatorial Optimization Problems: A Tutorial , 2006 .

[44]  Hristo Djidjev,et al.  Solving Large Maximum Clique Problems on a Quantum Annealer , 2019, QTOP@NetSys.

[45]  Scott Pakin,et al.  Navigating a Maze using a Quantum Annealer , 2017 .

[46]  Fred W. Glover,et al.  Backbone guided tabu search for solving the UBQP problem , 2013, J. Heuristics.

[47]  Fred W. Glover,et al.  An Unconstrained Quadratic Binary Programming Approach to the Vertex Coloring Problem , 2005, Ann. Oper. Res..

[48]  Panos M. Pardalos,et al.  Computational aspects of a branch and bound algorithm for quadratic zero-one programming , 1990, Computing.

[49]  Mark W. Lewis,et al.  A new approach for modeling and solving set packing problems , 2008, Eur. J. Oper. Res..

[50]  Gintaras Palubeckis,et al.  Iterated Tabu Search for the Unconstrained Binary Quadratic Optimization Problem , 2006, Informatica.

[51]  Fred W. Glover,et al.  The unconstrained binary quadratic programming problem: a survey , 2014, Journal of Combinatorial Optimization.

[52]  Fred W. Glover,et al.  Clustering of Microarray data via Clique Partitioning , 2005, J. Comb. Optim..

[53]  Mark W. Lewis,et al.  A new modeling and solution approach for the set-partitioning problem , 2008, Comput. Oper. Res..

[54]  Fred W. Glover,et al.  One-pass heuristics for large-scale unconstrained binary quadratic problems , 2002, Eur. J. Oper. Res..

[55]  Endre Boros,et al.  Pseudo-Boolean optimization , 2002, Discret. Appl. Math..

[56]  Endre Boros,et al.  A max-flow approach to improved lower bounds for quadratic unconstrained binary optimization (QUBO) , 2008, Discret. Optim..

[57]  Fred W. Glover,et al.  A new modeling and solution approach for the number partitioning problem , 2005, Adv. Decis. Sci..

[58]  Bahram Alidaee,et al.  Solving Quadratic Knapsack Problems by Reformulation and Tabu Search: Single Constraint Case , 2002 .

[59]  Catherine D. Schuman,et al.  Efficiently embedding QUBO problems on adiabatic quantum computers , 2019, Quantum Information Processing.

[60]  V. P. Shylo,et al.  Systems Analysis; Solving unconstrained binary quadratic programming problem by global equilibrium search , 2011 .

[61]  Endre Boros,et al.  Quadratization of Symmetric Pseudo-Boolean Functions , 2014, Discret. Appl. Math..

[62]  Hristo Djidjev,et al.  Reducing Binary Quadratic Forms for More Scalable Quantum Annealing , 2017, 2017 IEEE International Conference on Rebooting Computing (ICRC).

[63]  Panos M. Pardalos,et al.  Global equilibrium search applied to the unconstrained binary quadratic optimization problem , 2008, Optim. Methods Softw..

[64]  Fred W. Glover,et al.  Logical and inequality implications for reducing the size and difficulty of quadratic unconstrained binary optimization problems , 2018, Eur. J. Oper. Res..

[65]  Gintaras Palubeckis Quadratic 0-1 optimization , 1990 .

[66]  F. Glover,et al.  Adaptive Memory Tabu Search for Binary Quadratic Programs , 1998 .

[67]  Mark W. Lewis,et al.  Using xQx to model and solve the uncapacitated task allocation problem , 2005, Oper. Res. Lett..

[68]  F. Glover,et al.  Using the unconstrained quadratic program to model and solve Max 2-SAT problems , 2005 .

[69]  Panos M. Pardalos,et al.  Lower Bound Improvement and Forcing Rule for Quadratic Binary Programming , 2006, Comput. Optim. Appl..

[70]  Ilya Safro,et al.  Community Detection Across Emerging Quantum Architectures , 2018, ArXiv.

[71]  Tarek M. Taha,et al.  Quadratic Unconstrained Binary Optimization (QUBO) on neuromorphic computing system , 2017, 2017 International Joint Conference on Neural Networks (IJCNN).

[72]  Nir Ailon,et al.  Aggregating inconsistent information: Ranking and clustering , 2008 .