Quadratic unconstrained binary optimization (QUBO), also known as unconstrained binary quadratic programming (UBQP), is a combinatorial optimization problem with a wide range of applications from finance and economics to machine learning. QUBO is an NP hard problem, and for many classical problems from theoretical computer science, like maximum cut, graph coloring and the partition problem, embeddings into QUBO have been formulated. Embeddings for machine learning models include support-vector machines, clustering and probabilistic graphical models. Moreover, due to its close connection to Ising models, QUBO constitutes a central problem class for adiabatic quantum computation, where it is solved through a physical process called quantum annealing.
Definition Let B = { 0 , 1 } {\displaystyle \mathbb {B} =\lbrace 0,1\rbrace } the set of binary digits (or bits), then B n {\displaystyle \mathbb {B} ^{n}} is the set of binary vectors of fixed length n ∈ N {\displaystyle n\in \mathbb {N} } . Given a symmetric or upper triangular matrix Q ∈ R n × n {\displaystyle {\boldsymbol {Q}}\in \mathbb {R} ^{n\times n}} , whose entries Q i j {\displaystyle Q_{ij}} define a weight for each pair of indices i , j ∈ { 1 , … , n } {\displaystyle i,j\in \lbrace 1,\dots ,n\rbrace } , we can define the function f Q : B n → R {\displaystyle f_{\boldsymbol {Q}}:\mathbb {B} ^{n}\rightarrow \mathbb {R} } that assigns a value to each binary vector x {\displaystyle {\boldsymbol {x}}} through
f Q ( x ) = x ⊺ Q x = ∑ i = 1 n ∑ j = 1 n Q i j x i x j . {\displaystyle f_{\boldsymbol {Q}}({\boldsymbol {x}})={\boldsymbol {x}}^{\intercal }{\boldsymbol {Qx}}=\sum _{i=1}^{n}\sum _{j=1}^{n}Q_{ij}x_{i}x_{j}.}
Alternatively, the linear and quadratic parts can be separated as
f Q ′ , q ( x ) = x ⊺ Q ′ x + q ⊺ x , {\displaystyle f_{{\boldsymbol {Q}}',{\boldsymbol {q}}}({\boldsymbol {x}})={\boldsymbol {x}}^{\intercal }{\boldsymbol {Q}}'{\boldsymbol {x}}+{\boldsymbol {q}}^{\intercal }{\boldsymbol {x}},}
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