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Undecidable problems associated with variational quantum algorithms

Georgios Korpas Department of Computer Science, Czech Technical University in Prague, Czechia Quantum Technologies Group, Innovation & Ventures, HSBC, Singapore Archimedes Research Unit on AI, Data Science and Algorithms, Athena RC, Marousi, Greece    Vyacheslav Kungurtsev    Jakub Mareček Department of Computer Science, Czech Technical University in Prague, Czechia
Abstract

Variational Quantum Algorithms (VQAs), such as the Variational Quantum Eigensolver (VQE) and the Quantum Approximate Optimization Algorithm (QAOA), are widely studied as candidates for near-term quantum advantage. Recent work has shown that training VQAs is 𝖭𝖯\mathsf{NP}-hard in general. In this paper, we present a conditional result suggesting that the training of VQAs is undecidable, even in idealized, noiseless settings. We reduce the decision version of the digitized VQA training problem—where circuit parameters are drawn from a discrete set—to the question of whether a universal Diophantine equation (UDE) has a root. This reduction relies on encoding the UDE into the structure of a variational quantum circuit via the matrix exponentials. The central step involves establishing a correspondence between the objective function of the VQA and a known UDE of 58 variables and degree 4. Our main result is conditional on a natural conjecture: that a certain system of structured complex polynomial equations—arising from the inner product of a VQA circuit output and a fixed observable—has at least one solution. We argue this conjecture is plausible based on dimension-counting arguments (degrees of freedom in the Hamiltonians, state vector, and observable), and the generic solvability of such systems in algebraic geometry over the complex numbers. Under this assumption, we suggest that deciding whether a digitized VQA achieves a given energy threshold is undecidable. This links the limitations of variational quantum algorithms to foundational questions in mathematics and logic, extending the known landscape of quantum computational hardness to include uncomputability. Additionally, we establish an unconditional undecidability result for VQA convergence in open quantum systems.

I Introduction

Quantum algorithms, especially those implementable on near-term hardware, have garnered significant attention in recent years [1, 2, 3]. Many financial institutions are investing in quantum computing, motivated by its potential applications in risk assessment, portfolio optimization, and stochastic control [4, 5, 6, 7] while many other industries follow this path as well. Variational Quantum Algorithms (VQAs), encompassing the Variational Quantum Eigensolver (VQE) [8], the Quantum Approximate Optimization Algorithm (QAOA) [9], and their respective variations, have sometimes been advocated as a methodology for addressing 𝖭𝖯\mathsf{NP}-hard optimization problems. See [2] for an extensive review. These algorithms operate by iteratively evaluating a parameterized quantum circuit and updating its parameters to minimize a cost function—typically, the expectation value of an observable (see App. A.1).

However, the expectation value of the quantum observable, as measured by a quantum computer, depends on specific parameters provided to a classical optimizer. The objective of this optimizer is to explore the parameter landscape, adjusting the parameters to minimize the observable’s expectation value. These refined parameters are then anticipated to yield a reduced estimate of the expectation value of the quantum observable, ultimately converging to the genuine minimum, ideally. This process—commonly referred to as VQA training—forms a hybrid quantum-classical loop.

The classical computation of parameters for the variational form is often achieved through the use of gradient-based approaches [10] or quasi-Newton methods [11]. In particular, it has been observed that even second-order techniques often converge to local minima and are not guaranteed to reach global optima [12], and the computation of the optima, even to a predetermined precision, is 𝖭𝖯\mathsf{NP}-hard [13]. Independently, there are lower bounds [14, 15] on the depth of parametrized circuits that one needs to consider when analyzing the efficiency of variational quantum algorithms. The impact of noise on the iteration complexity of VQAs was studied in [16].

In this work, we show that training Variational Quantum Algorithms (VQAs)—under certain assumptions—can be undecidable, extending the known complexity barriers beyond 𝖭𝖯\mathsf{NP}-hardness. Specifically, we consider the conditions under which the classical computation of the parameters of the variational form becomes uncomputable. We also examine related problems in training VQAs and analyze whether QAOA converges in the presence of noise.

Our main result, Theorem 5, connects the decision version of training VQAs to Hilbert’s 10th problem by reducing it to the solvability of a universal Diophantine equation, assuming the existence of a common solution for a certain system of complex polynomial equations. In Conjecture 4, we argue that such a solution likely exists, based on degrees-of-freedom heuristics and the typical behavior of structured polynomial systems. We then show that this result extends naturally to QAOA.

Our investigation focuses primarily on worst-case behavior. These findings do not rule out the possibility that specific subclasses of VQAs may still be successfully trainable under more favorable conditions, which we briefly discuss in Section VI.

Notation.

We use the notation [n]{1,,n}[n]\coloneqq\{1,\dots,n\}. The Pauli matrices are denoted by σx\sigma_{x}, σy\sigma_{y}, and σz\sigma_{z} respectively. By Herm(n)\operatorname{Herm}(\mathbb{C}^{n}) we denote the space of Hermitian n×nn\times n matrices, i.e., matrices An×nA\in\mathbb{C}^{n\times n} that satisfy A=AA=A^{\dagger}, where \dagger denotes complex conjugation. A complex Hilbert space \mathcal{H} of dimension nn is isomorphic to n\mathbb{C}^{n}. By A\|A\| we refer to the operator norm of an operator AEnd()Herm(n)A\in{\rm End}(\mathcal{H})\cong\operatorname{Herm}(\mathbb{C}^{n}) while by U(n)GLn()U(n)\subset{\rm GL}_{n}(\mathbb{C}) we denote the degree nn unitary group. For a field kk, we denote by k[𝒙]k[\boldsymbol{x}] the ring of polynomials with coefficients in kk where 𝒙=(x1,,xm)\boldsymbol{x}=(x_{1},\ldots,x_{m}), for some integer m>0m>0, .

II Correspondence of VQA to Polynomial Equation Systems

Initially, let us focus on the VQA minimization problem; specifically we state the VQA minimization problem as termed in [13] and also a digitized VQA minimization problem. These problems will be fundamental in the subsequent analysis.

Problem 1 (VQA minimization problem, paraphrasing [13]).
Instance

An initial state |Ψ0n\ket{\Psi_{0}}\in\mathbb{C}^{n}, a set of generators {Hi}i{1,,L}Herm(n)\{H_{i}\}_{i\in\{1,\dots,L\}}\in\operatorname{Herm}(\mathbb{C}^{n}), where L>0L\in\mathbb{Z}_{>0} is the number of layers and an observable OHerm(n)O\in\operatorname{Herm}(\mathbb{C}^{n}).

Optimization version

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi(\boldsymbol{\phi})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})=\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, find ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} that minimizes O(ϕ)Ψ(ϕ)|O|Ψ(ϕ)\left<O(\boldsymbol{\phi})\right>\coloneqq~{}\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle.

Decision version for aa\in\mathbb{R}

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi({\boldsymbol{\phi}})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})~{}=~{}\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, determine if there exists ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} for which Ψ(ϕ)|O|Ψ(ϕ)a\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle\leq a.

Example.

For illustration purposes, consider the L=1L=1 case of Problem 1. There, one seeks a parameter ϕ\phi\in\mathbb{R} such that the state given by |Ψ(ϕ)U(ϕ)|Ψ0eiHϕ|Ψ0\ket{\Psi({\phi})}\coloneqq U(\phi)\ket{\Psi_{0}}\coloneqq\mathrm{e}^{-\mathrm{i}H\phi}\ket{\Psi_{0}} satisfies Ψ(ϕ)|O|Ψ(ϕ)a\left\langle\Psi({\phi})\right|O\left|\Psi({\phi})\right\rangle\leq a\in\mathbb{R}. The operator OO can be decomposed as

O=j=1nλjPλj,\displaystyle O=\sum\limits_{j=1}^{n}\lambda_{j}P_{\lambda_{j}}, (1)

with PλjP_{\lambda_{j}} the associated eigenspace projection operators with eigenvalue λj\lambda_{j}, the associated unconstrained optimization problem becomes:

minϕj=1nλjPλjeiHϕ|Ψ02\min\limits_{\phi\in\mathbb{R}}\,\sum\limits_{j=1}^{n}\lambda_{j}\left\|P_{\lambda_{j}}\mathrm{e}^{-\mathrm{i}H\phi}\ket{\Psi_{0}}\right\|^{2} (2)

which is a continuously differentiable function of a real valued variable ϕ\phi. Let n=2n=2, |Ψ0=α|0+β|1\ket{\Psi_{0}}=\alpha\ket{0}+\beta\ket{1}, O=(2001)O=\begin{pmatrix}2&0\\ 0&-1\end{pmatrix} and H=σxH=\sigma_{x}, so cos(Hϕ)=cos(ϕ)I\cos(H\phi)=\cos(\phi)I and sin(Hϕ)=sin(ϕ)σx\sin(H\phi)=\sin(\phi)\sigma_{x}. Then, Problem (2) becomes,

minϕ(2α2β2)cos2ϕ(2β2α2)sin2ϕ\min\limits_{\phi\in\mathbb{R}}(2\alpha^{2}-\beta^{2})\cos^{2}\phi-(2\beta^{2}-\alpha^{2})\sin^{2}\phi

(which fits the framework of Theorem 24) and does not have any known exploitable structure such as convexity. This already hints at the undecidability of VQA.

Nevertheless, we know the form of the optimization problem, and although one can consider that it is unlikely that a special structure-exploiting algorithm for minimization could be found, this argument cannot guarantee that one does not exist.

Thus, to prove the undecidability, let us consider a floating-point representation of the parametrization of the variational form. Indeed, the pulses that implement unitary gates in NISQ devices are stored digitally, and thence the gates cannot be parametrized continuously, but only using a (possibly infinite) discrete set of values, generalizing floating-point arithmetic (IEEE 754) commonly utilized on classical computers. Formally:

Problem 2 (Digitized VQA minimization problem).
Instance

A discrete set of numbers 𝔻\mathbb{D} representable by a single word on a digital computer. An initial state |Ψ0n\ket{\Psi_{0}}\in\mathbb{C}^{n}, a set of generators {Hi}i{1,,L}Herm(n)\{H_{i}\}_{i\in\{1,\dots,L\}}\subset\operatorname{Herm}(\mathbb{C}^{n}), where LL is the number of layers and an observable OHerm(n)O\subset\operatorname{Herm}(\mathbb{C}^{n}).

Optimization version

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi(\boldsymbol{\phi})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})=\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, find ϕ𝔻L\boldsymbol{\phi}\in\mathbb{D}^{L} that minimizes O(ϕ)Ψ(ϕ)|O|Ψ(ϕ)\left<O(\boldsymbol{\phi})\right>\coloneqq~{}\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle.

Decision version with aa\in\mathbb{R}

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi(\boldsymbol{\phi})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})=\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, decide if there exists ϕ𝔻L\boldsymbol{\phi}\in\mathbb{D}^{L} such that O(ϕ)Ψ(ϕ)|O|Ψ(ϕ)a\left<O(\boldsymbol{\phi})\right>\coloneqq~{}\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle\leq a.

D(58,4),D(38,8),D(32,12),D(29,16),D(28,20),D(26,24),D(25,28),D(24,36),D(21,96),D(19,2668),D(14,2×105),D(13,6.6×1043),D(12,1.3×1044),D(11,4.6×1044),D(10,8.6×1044),D(9,1.6×1045).\begin{gathered}D(58,4),D(38,8),D(32,12),D(29,16),\\ D(28,20),D(26,24),D(25,28),D(24,36),\\ D(21,96),D(19,2668),D(14,2\times 10^{5}),\\ D(13,6.6\times 10^{43}),D(12,1.3\times 10^{44}),\\ D(11,4.6\times 10^{44}),D(10,8.6\times 10^{44}),\\ D(9,1.6\times 10^{45}).\end{gathered} (3)
Figure 1: A sample of known Universal Diophantine Equations D(n,d)D(n,d), which are polynomials of degree dd in nn variables.

In the following, we will present evidence that this is undecidable, using the arguments of Matiâsevič [17], presented very nicely by Jones [18]. Recall that a set WW of integers (representing strings) is recursively enumerable (r.e.) if there exists a recursive function that can eventually generate any element in WW. Building on earlier results of Martin Davis, Hilary Putnam, and Julia Robinson, Matiâsevič has shown that every recursively enumerable set is Diophantine, that is, for every r.e. set WW, there is a polynomial DWD^{\prime}_{W} such that for all integers xx:

xWv,z1,z2,,zv s.t. DW(x,z1,z2,,zv)=0\displaystyle x\in W\Leftrightarrow\exists v,z_{1},z_{2},\ldots,z_{v}\textrm{ s.t. }D^{\prime}_{W}(x,z_{1},z_{2},\ldots,z_{v})=0

where z1,z2,,zvz_{1},z_{2},\ldots,z_{v} are positive integers and the coefficients of DWD^{\prime}_{W} are integers. In this tradition, z1,z2,,zvz_{1},z_{2},\ldots,z_{v} are known as variables, and x,vx,v are known as parameters. Thus, if one were able to decide the existence of the root of DWD^{\prime}_{W} in positive integers, one could decide the halting problem [19, Chapter 4] for any Turing machine.

Furthermore, there exist universal integers n,dn,d, such that for every r.e. set WW, there exists its description vv such that:

xWz1,z2,,zn s.t. D′′(x,v,z1,z2,,zn)=0\displaystyle x\in W\Leftrightarrow\exists z_{1},z_{2},\ldots,z_{n}\textrm{ s.t. }D^{\prime\prime}(x,v,z_{1},z_{2},\ldots,z_{n})=0

where D′′D^{\prime\prime} is a polynomial of degree dd. This polynomial is called a universal Diophantine equation. Here, x,vx,v would still be parameters. When deciding on the halting problem [19, Chapter 4] on the input xx for a Turing machine described by a number of parameters, it is convenient to consider additional parameters, as suggested in Figure 1, where the parameters are u,x,y,zu,x,y,z.

This sum-of-squares construction ensures that the optimization problem can be interpreted as minimizing a squared norm, which aligns naturally with the quantum mechanical objective (16).

The construction of universal Diophantine equations (UDE) has been the subject of much subsequent work, especially when seeking UDE such that the number nn of variables and the degree dd of the polynomial are low.111 The construction of such polynomials may seem rather obscure, but it is nicely explained in [20, Note 12.9] including Mathematica code. This subsequent work [17] has established the existence of a variety of universal Diophantine equations D(n,d)D(n,d), as illustrated in Figure 1, cited from [17]. In particular, it is known [21, 17] that there is a universal Diophantine equation with 58 variables and degree 4, and that solving this D(58,4)D(58,4) is equivalent to solving D(86×1043,10)D(86\times 10^{43},10), which in turn is equivalent to solving the succinct222Notice that D(58,4)D(58,4) features many monomials while D(10,86×1043)D(10,86\times 10^{43}) features large coefficients. D(10,2×560)D(10,2\times 5^{60}) displayed in Figure 1.

A note on matrix exponentials

We recall some fundamental properties of matrix exponentials which will be useful for the sequel. Write

exp(kA)=ekA,\exp{(kA)}=\mathrm{e}^{kA}, (4)

where A𝕂n×nA\in\mathbb{K}^{n\times n}, where 𝕂=\mathbb{K}=\mathbb{R} or \mathbb{C} usually, and kk an element of some ring RR, usually presented as the ring of real numbers \mathbb{R}. We recall Sylvester’s formula:

Theorem 3 (Sylvester’s formula [22]from Caley-Hamilton theorem).

We can write

ekA=j=0n1ϰjAj.\mathrm{e}^{kA}=\sum_{j=0}^{n-1}\varkappa_{j}A^{j}. (5)

where each ϰj𝕂\varkappa_{j}\in\mathbb{K}.

Proof.

This is quite easy to see: let A2×2A\in\mathbb{R}^{2\times 2}, i.e., n=2n=2, without loss of generality and let a,ba,b\in\mathbb{R} be its eigenvalues. Note that although the original form of the formula is for kk\in\mathbb{R} and An×nA\in\mathbb{R}^{n\times n} (for some nn), the derivation of Sylvester’s Theorem can be performed using the Cayley-Hamilton Theorem, which has a generic form appropriate to any commutative ring [23, Corollary 4.2.15]333This will be quite important in Section III when discussing such matrix exponentials. A commutative ring is simply a set together with an operation of addition and multiplication. For example, the set of natural numbers \mathbb{Z} together with the standard multiplication and addition forms a commutative ring. Similarly, the set of n×nn\times n diagonal matrices MatDiag(n){\rm MatDiag}(\mathbb{C}^{n}) with values in complex numbers, together with the standard matrix addition and matrix multiplication, forms a commutative ring.. See also [24]. We assume for simplicity that AA is diagonalizable. In our setting, the matrices of interest (e.g., Hermitian Hamiltonians) are always diagonalizable, so this assumption holds. ∎

The eigendecomposition of a AA is A=Q(p00q)Q1A=Q\left(\begin{smallmatrix}p&0\\ 0&q\end{smallmatrix}\right)Q^{-1} for an invertible square matrix QQ. Then, eA=Q(ep00eq)Q1\mathrm{e}^{A}=Q\left(\begin{smallmatrix}\mathrm{e}^{p}&0\\ 0&\mathrm{e}^{q}\end{smallmatrix}\right)Q^{-1}. Finally, observe that by finding such a QQ we arrive at eA=(qp)1[(qeppeq)𝟙+(eqep)A]\mathrm{e}^{A}=(q-p)^{-1}[(q\mathrm{e}^{p}-p\mathrm{e}^{q})\mathds{1}+(\mathrm{e}^{q}-\mathrm{e}^{p})A]. This generalizes to a higher nn.

In Eq. (5) the coefficients in the finite series expansion are given as functions of the eigenvalues of AA,

ekλi\displaystyle\mathrm{e}^{k\lambda_{i}} =j=0n1ϰjλij\displaystyle=\sum_{j=0}^{n-1}\varkappa_{j}\lambda_{i}^{j} (6)
=ϰ0+ϰ1λi+ϰ2λi2++ϰn1λin1\displaystyle=\varkappa_{0}+\varkappa_{1}\lambda_{i}+\varkappa_{2}\lambda_{i}^{2}+\ldots+\varkappa_{n-1}\lambda_{i}^{n-1} (7)

To understand this better let us consider a concrete example where A2×2A\in\mathbb{C}^{2\times 2} given as

A=(abcd),A=\begin{pmatrix}a&b\\ c&d\ \end{pmatrix}, (8)

and let kk\in\mathbb{R}. The characteristic polynomial of AA is

p(x)=x2(a+d)x+adbc,p(x)=x^{2}-(a+d)x+ad-bc, (9)

with eigenvalues

x1,2\displaystyle x_{1,2} =12(a+da2+4bc2ad+d2).\displaystyle=\tfrac{1}{2}(a+d\mp\sqrt{a^{2}+4bc-2ad+d^{2}}). (10)

Using Eq. (6) we can compute the coefficients {ϰj}\{\varkappa_{j}\} appearing in Eq. (5) using

ekx1\displaystyle\mathrm{e}^{kx_{1}} =ϰ0+ϰ1x1\displaystyle=\varkappa_{0}+\varkappa_{1}x_{1} (11)
ekx2\displaystyle\mathrm{e}^{kx_{2}} =ϰ0+ϰ1x2.\displaystyle=\varkappa_{0}+\varkappa_{1}x_{2}.

to obtain

ϰ0(x1,x2,k)\displaystyle\varkappa_{0}(x_{1},x_{2},k) =ekx2x1ekx1x2x1x2\displaystyle=\frac{\mathrm{e}^{kx_{2}}x_{1}-\mathrm{e}^{kx_{1}}x_{2}}{x_{1}-x_{2}} (12)
ϰ1(x1,x2,k)\displaystyle\varkappa_{1}(x_{1},x_{2},k) =ekx1ekx2x1x2.\displaystyle=\frac{\mathrm{e}^{kx_{1}}-\mathrm{e}^{kx_{2}}}{x_{1}-x_{2}}. (13)

From Eq. (12), we can write ϰ0,ϰ1\varkappa_{0},\varkappa_{1} as functions of the eigenvalues x1,x2x_{1},x_{2} using Eq. (5). We obtain:

ekA=ϰ0(x1,x2,k)𝟙+ϰ1(x1,x2,k)A.\mathrm{e}^{kA}=\varkappa_{0}(x_{1},x_{2},k)\mathds{1}+\varkappa_{1}(x_{1},x_{2},k)A. (14)

Observe that when kik\in\mathrm{i}\mathbb{R}, each coefficient ϰj\varkappa_{j}\in\mathbb{C}. These coefficients are determined entirely by the eigenvalues {λi}\left\{\lambda_{i}\right\} of AA, and depend on the scalar kk as well. They are therefore not independent parameters, but functions of the spectrum of AA. This observation is important: for a matrix A𝕂n×nA\in\mathbb{K}^{n\times n} with n2n^{2} (real) degrees of freedom, solving an equation of the form

Tr[A(ϰjB)]=0\operatorname{Tr}\left[A\left(\varkappa_{j}B\right)\right]=0

where B𝕂n×nB\in\mathbb{K}^{n\times n}, does not introduce new degrees of freedom-since ϰj\varkappa_{j} is not a free variable but a fixed scalar determined by AA and kk.

III The Undecidability Conjecture

We would like to encode the universal Diophantine equation D(58,4)D(58,4) into the digitized VQA minimization problem. That is, we wish to take one universal Diophantine equation, D(58,4)D(58,4), which is a system of polynomial equations, but which can be easily transformed into a single sum-of-squares polynomial D(58,8)D(58,8). This sum-of-squares version can be seen as:

minϕ𝔻58jqj(ϕ)2,\min\limits_{\boldsymbol{\phi}\in\mathbb{D}^{58}}\,\sum_{j}q_{j}(\boldsymbol{\phi})^{2}, (15)

where qjq_{j} denotes one summand of the sum-of-squares form of the UDE D(58,8)D(58,8). This sum-of-squares construction ensures that the optimization problem can be interpreted as minimizing a squared norm, which aligns naturally with the quantum mechanical objective (16).

Now, let us consider the L=58L=58 and n=5n=5 case of Problem 1:

minϕ𝔻58Oi=057U58i(ϕ58i)|Ψ02\displaystyle\min_{\boldsymbol{\phi}\in\mathbb{D}^{58}}\,\left\|O\prod_{i=0}^{57}U_{58-i}(\phi_{58-i})\ket{\Psi_{0}}\right\|^{2} (16)

and let us show the existence of the Hermitian operator OHerm(n)O\in\operatorname{Herm}(\mathbb{C}^{n}), as well as the state |Ψ0\ket{\Psi_{0}}\in\mathcal{H}, and unitaries U58(ϕ58),,U1(ϕ1)U(n)U_{58}(\phi_{58}),\ldots,U_{1}(\phi_{1})\in U(n) such that the classically-solved optimization problem (16) in the discrete set 𝔻58\mathbb{D}^{58} of numbers representable by 58 words in a digital computer, attains objective value zero if and only if there is a zero of the UDE D(58,4)D(58,4) in 𝔻58\mathbb{D}^{58}. In other words, proving Theorem 5 amounts to finding a map (16) \to (15) and the existence of such an encoding map boils down to the nontrivial task of proving the existence of a common zero of a system of complex polynomials. The challenge lies in ensuring that the variational quantum circuit evaluates to zero if and only if the UDE has a solution—a condition that hinges on the ability to construct appropriate Hamiltonians, a state, and an observable to match the algebraic structure of the UDE.

The conversion involves several layers of variables that we qualitatively describe now, and further describe in Table 2 in the Supplementary material:

  • Within any UDE, there are parameters that encode the Turing machine.444In the example of Figure 3, this would be u,v,x,zu,v,x,z.

  • Within the same UDE, there will be a vector of variables restricted to integers; 555 In the example of Figure 3, these would be a,b,c,,s,t,w,α,γ,ν,θ,λ,τ,ϕa,b,c,\ldots,s,t,w,\alpha,\gamma,\nu,\theta,\lambda,\tau,\phi. Notice, however, that we override the meaning of some of these symbols in this section. in D(58,4)D(58,4), this is a 58-vector, which we denote ϕ\boldsymbol{\phi}.

  • Ultimately, we can decide on the state vector |Ψ0\ket{\Psi_{0}}, and the operators O,U58(ϕ58),,U1(ϕ1)O,U_{58}(\phi_{58}),\ldots,U_{1}(\phi_{1}). In this system, |Ψ0\ket{\Psi_{0}} will enjoy some freedom, which will be discussed later. Note that the dimensions of these objects are restricted by the dimension of the UDE666By Sylvester’s formula..

  • However, the existence of an encoding map is determined by the existence of a non-empty zero set V(I)V(I) of simultaneous zeros of a certain system of complex polynomials closely associated with the probability amplitude of OO.

First, let us recall that it is sufficient to consider only universal Diophantine equations that are sum-of-squares polynomials, which is compatible with Prob. (15). Fortunately, there are a number of those, as exemplified in Figure 3. The sum-of-squares nature of many universal Diophantine equations is due to the fact that those are usually devised as systems of polynomial equations, and only at the end one obtains a single polynomial by the sum-of-squares construction.

Assumptions. Without loss of generality of the proof, we will assume that [Hi,Hj]=0[H_{i},H_{j}]=0 for all Hi,HjHerm(n)H_{i},H_{j}\in\operatorname{Herm}(\mathbb{C}^{n}). This assumption will allow us to efficiently make use of Sylvester’s formula (5). Furthermore, before we proceed, we need to note that when taking into account Sylverster’s formula we directly get a cut-off on the rank of the generators {Hi}i=158\{H_{i}\}_{i=1}^{58} which now are elements of Herm(5)\operatorname{Herm}(\mathbb{C}^{5}). Similarly, this enforces |Ψ05\ket{\Psi_{0}}\in\mathbb{CP}^{5}.

With Ui(ϕi)=eiϕiHiU_{i}(\phi_{i})=e^{-\mathrm{i}\phi_{i}H_{i}} as in Eq. (51), we have

i=057U58i(ϕ58i)\displaystyle\prod_{i=0}^{57}U_{58-i}(\phi_{58-i}) =i=057eiϕ58iH58i\displaystyle=\prod_{i=0}^{57}\mathrm{e}^{-\mathrm{i}\phi_{58-i}H_{58-i}} (17)
=eii=158ϕiHi\displaystyle=\mathrm{e}^{-\mathrm{i}\sum\limits_{i=1}^{58}\phi_{i}H_{i}} (18)
=j=04ϰj(i=158ϕiHi)j\displaystyle=\sum\limits_{j=0}^{4}\varkappa_{j}\left(\sum\limits_{i=1}^{58}\phi_{i}H_{i}\right)^{j} (19)
=𝒄𝒃(ϕ)=a=1mcaba(ϕ).\displaystyle=\boldsymbol{c}\cdot\boldsymbol{b}(\boldsymbol{\phi})=\sum_{a=1}^{m}c_{a}b_{a}(\boldsymbol{\phi}). (20)

Here, we applied Sylvester’s Theorem 3 to obtain the third line, Eq. (19), with the expansion up to 44 since HiHerm(5)H_{i}\in\operatorname{Herm}(\mathbb{C}^{5}). The index aa is a multi-index that labels the elements of 𝒄\boldsymbol{c} and 𝒃\boldsymbol{b} according to the degree of the monomial in the elements of the variational parameter vector ϕ\boldsymbol{\phi}, see for example Eq. (61) below. The monomial basis vector 𝒃(ϕ)\boldsymbol{b}(\boldsymbol{\phi}) encodes the possible set of monomial terms in the VQA (i.e., ϕ12ϕ36\phi_{1}^{2}\phi_{36}, etc.), and has dimension m=62!58!4!𝒪(105)m=\tfrac{62!}{58!4!}\sim\mathcal{O}(10^{5}) (generically (L+n1)!L!(n1)!\tfrac{(L+n-1)!}{L!(n-1)!}). Each component of the mm-dimensional vector 𝒄\boldsymbol{c} is itself an element of Herm(5)\operatorname{Herm}(\mathbb{C}^{5}) and contains the coefficients that multiply each monomial term of 𝒃(ϕ)\boldsymbol{b}(\boldsymbol{\phi}), a product of the corresponding complex number ϰj\varkappa_{j} with a certain monomial in the generators {Hi}i=158\{H_{i}\}_{i=1}^{58}. Note that the set of complex numbers {ϰj}j=04\{\varkappa_{j}\}_{j=0}^{4} is not independent. They can be described as functions of the variational parameters and the eigenvalues of the Hamiltonians by solving for them the system

eix1\displaystyle\mathrm{e}^{-\mathrm{i}x_{1}} =l=04ϰlx1l\displaystyle=\sum_{l=0}^{4}\varkappa_{l}x_{1}^{l} (21)
eix2\displaystyle\mathrm{e}^{-\mathrm{i}x_{2}} =l=04ϰlx2l\displaystyle=\sum_{l=0}^{4}\varkappa_{l}x_{2}^{l}
\displaystyle\vdots
eix5\displaystyle\mathrm{e}^{-\mathrm{i}x_{5}} =l=04ϰlx5l,\displaystyle=\sum_{l=0}^{4}\varkappa_{l}x_{5}^{l},\

as in Eq. (11), where

xi=j=158(ϕjHj)ii,\displaystyle x_{i}=\sum_{j=1}^{58}(\phi_{j}H_{j})_{ii}, (22)

that is, each xix_{i} is given as the sum of the eigenvalues of the ii-th row of all Hamiltonians.

In order to clearly understand the structure of the vectors 𝒄\boldsymbol{c} and 𝒃(ϕ)\boldsymbol{b}(\boldsymbol{\phi}) we provide a simple example in the Supplementary Material, page D.

With this new description of i=057U58i(ϕ58i)\prod_{i=0}^{57}U_{58-i}(\phi_{58-i}) as the product 𝒄𝒃(ϕ)\boldsymbol{c}\cdot\boldsymbol{b}(\boldsymbol{\phi}) we can insert the latter into the VQA objective (16), with the aim of reaching (15), and seek to enforce the corresponding equation,

O𝒄𝒃(ϕ)|Ψ02\displaystyle\left\|O\boldsymbol{c}\cdot\boldsymbol{b}(\boldsymbol{\phi})\ket{\Psi_{0}}\right\|^{2} =jqj(ϕ)2\displaystyle=\sum\limits_{j}q_{j}(\boldsymbol{\phi})^{2} (23)
=jcjUbjU(ϕ)\displaystyle=\sum_{j}c^{U}_{j}b^{U}_{j}(\boldsymbol{\phi})
=𝒄U𝒃U(ϕ),\displaystyle=\boldsymbol{c}^{U}\boldsymbol{b}^{U}(\boldsymbol{\phi}),

where 𝒄Um2\boldsymbol{c}^{U}\in\mathbb{Z}^{m^{2}} and 𝒃U\boldsymbol{b}^{U} are the coefficients and corresponding monomial basis vectors of the sum-of-squares form of the UDE, i.e., the decomposition of Eq. (15) as 𝒄U𝒃U\boldsymbol{c}^{U}\boldsymbol{b}^{U}. This equation is equivalent to a set of equations on the coefficients, i.e.,

Ψ0|(O𝒄)O𝒄|Ψ0j=𝒄jU\displaystyle\braket{\Psi_{0}}{(O\boldsymbol{c})^{\dagger}O\boldsymbol{c}}{\Psi_{0}}_{j}=\boldsymbol{c}^{U}_{j} (24)

where jj is selecting the corresponding monomial term of (O𝒄)O𝒄(O\boldsymbol{c})^{\dagger}O\boldsymbol{c} of 𝒃U\boldsymbol{b}^{U}. In other words, the subscript jj denotes projection onto the monomial basis term bjU(ϕ)b_{j}^{U}(\boldsymbol{\phi}). That is, we extract the coefficient of the jj-the monomial in the expansion of the squared amplitude.

Let 𝒙\boldsymbol{x} denote the vector of entries of the operator OO and let 𝒘\boldsymbol{w} denote the entries of |Ψ0\ket{\Psi_{0}}. The system of equations (24) corresponds to 2m2m equations {gi(𝒙,𝒘)=0}i=1m2\{g_{i}(\boldsymbol{x},\boldsymbol{w})=0\}_{i=1}^{m^{2}} to solve for.

Conjecture 4 (Solution of a Highly Structured System).

For the set of coefficients 𝐜jU\boldsymbol{c}^{U}_{j} associated with the Diophantine polynomial system with 58 variables, there exists at least one pair of OO and |Ψ0\ket{\Psi_{0}} such that there exists at least one solution 𝐜U\boldsymbol{c}^{U} to Sys. (24).

Essentially, system (24) corresponds to finding the zero-set V(I)V(I) of a system of complex polynomial equations {gi=0}i=12m\{g_{i}=0\}_{i=1}^{2m} where II is the radical formed out of them. By Hilbert’s Nullstellensatz [25], a solution of a system of polynomials {g1=0,,g2m=0}\{g_{1}=0,\ldots,g_{2m}=0\} with complex coefficients in ll variables has no solution in l\mathbb{C}^{l} if and only if one can find a set of Bézout polynomials {g1=0,,gk=0}\{g^{\prime}_{1}=0,\ldots,g^{\prime}_{k}=0\} such that

i=1kgigi=1,\sum_{i=1}^{k}g_{i}g^{\prime}_{i}=1, (25)

i.e., we require that the set {g1,,gk}\{g_{1},\ldots,g_{k}\} forms a proper ideal in [x1,,xl]\mathbb{C}[x_{1},\ldots,x_{l}]. Using the technique of Sombra [26], an upper bound on the total degree of the gig^{\prime}_{i} can be computed by solving an exponentially large linear system. Alternatively, explicit solutions could be obtained by [27].

Theorem 5 (Undecidability of VQAs).

Assuming Conjecture 4 (“Solution of a Highly Structured System”) holds, the decision version of digitized VQA minimization (Problem 2) is undecidable for L=58L=58 layers.

Theorem 5 then implies that there is no finite-time algorithm to solve the problem, that is,

Corollary 6 (Uncomputability of VQAs).

Assuming Conjecture 4 (“Solution of a Highly Structured System”) holds, there exists no recursive function to decide digitized VQA minimization in the decision version (Problem 2) for L=58L=58 layers. Consequently, the optimization version is uncomputable for L=58L=58 layers.

This result is conditional on the validity of the Conjecture 4. While we do not proceed to prove that this system indeed contains at least one solution, there are various reasons for this to be true. (See above.) Note that there are a number of Diophantine equations that we can consider, with increasing degree and variable dimension. From the standpoint of the degrees of freedom arithmetic described in the following, however, it intuitively appears to be the most agreeable equation to the formulated conjecture, and so we formulate it as such. Of course, the analogous conjecture for any polynomial Diophantine system would be similarly informative in regard to VQA.

Degrees of freedom. For each Hermitian matrix HHerm(5)H\in\operatorname{Herm}(\mathbb{C}^{5}), we have 55 real degrees of freedom from the diagonals (which are real) and 2×102\times 10 real degrees of freedom (2×52\times 5 complex numbers) from the off-diagonals, summing to 25 real degrees of freedom. Any operator OHerm(5)O\in\operatorname{Herm}(\mathbb{C}^{5}) must be described by the 5215^{2}-1 generators {σi}i=125\{\sigma_{i}\}_{i=1}^{25} of the corresponding Lie algebra as O=i=125αiσiO=\sum_{i=1}^{25}\alpha_{i}\sigma_{i} matching the number of parameters. The degrees of freedom of 𝒄\boldsymbol{c} is equivalent to the number of eigenvalues of the diagonal generators {Hi}i=158\{H_{i}\}_{i=1}^{58}, that is 58×5=29058\times 5=290. Once a combination is chosen, all elements of 𝒄\boldsymbol{c} are fixed. Finally, naively one might think that |Ψ05\ket{\Psi_{0}}\in\mathbb{C}^{5} but given the trace condition a complex degree of freedom is removed, while the same holds for a global phase, thus one is left with 8 real degrees of freedom. This matches the dimension of 5\mathbb{CP}^{5} where the set of states such as |Ψ0\ket{\Psi_{0}} belongs to. We summarize the degrees of freedom for our system in Table 1.

Object Space Degrees of freedom (real)
|Ψ0\ket{\Psi_{0}} Q55Q_{5}\coloneqq\mathbb{CP}^{5} 8
OO Herm(5)\operatorname{Herm}(\mathbb{C}^{5}) 25
HiH_{i} Herm(5)\operatorname{Herm}(\mathbb{C}^{5}) 5
{Hi}\{H_{i}\} Herm(5)\operatorname{Herm}(\mathbb{C}^{5}) 5×58=2905\times 58=290
Table 1: The space of (pure) states of 5-dits, denoted as Q5Q_{5} is a proper subset of the d21d^{2}-1, d=5d=5, dimensional Hilbert-Schmidt sphere (ball, for mixed states). The corresponding Bloch manifold for {|Ψ0}pure{|Ψ0}mixed\{\ket{\Psi_{0}}\}_{\rm pure}\cup\{\ket{\Psi_{0}}\}_{\rm mixed} is SU(5){\rm SU}(5). For {|Ψ0}pure\{\ket{\Psi_{0}}\}_{\rm pure} the number of degrees of freedom is 2d22d-2, the real dimension of Q5Q_{5} [28, Section 8]. Finally, for c(i,j)Herm(5)c_{(i,j)}\in\operatorname{Herm}(\mathbb{C}^{5}), we do not obtain new degrees of freedom on top of the degrees of freedom in ϕ\boldsymbol{\phi} and {Hi}\{H_{i}\}.
An illustration of encoding a sum-of-squares polynomial into small VQA

As an illustration on how to encode a universal Diophantine equation polynomial into VQA let us consider a simple example of how a generic second-degree sum-of-squares polynomial can be written in the form (2). Consider the sum-of-squares polynomial

p(x,y)=ηxx2+ηyy2+ηxyx2y2,\displaystyle p(x,y)=\eta_{x}x^{2}+\eta_{y}y^{2}+\eta_{xy}x^{2}y^{2}, (26)

with coefficients ηx,ηy,ηxy,\eta_{x},\eta_{y},\eta_{xy}\in\mathbb{Z},\mathbb{R} or \mathbb{C} that are given and fixed (i.e., not free). The individual terms {qj}\{q_{j}\} of the UDE have as their highest total power 2. Thus, we consider that the state dimension is 33 in order to generate the required powers in the use of Sylvester’s formula.

We wish to construct the corresponding:

OUx(x)Uy(y)|Ψ02.\displaystyle\left\|OU_{x}(x)U_{y}(y)|\Psi_{0}\rangle\right\|^{2}. (27)

Let Hx=X,Hy=YH_{x}=X,H_{y}=Y. Recall that

Ux(x)Uy(y)\displaystyle U_{x}(x)U_{y}(y) =eiXeiY=ei(X+Y)\displaystyle=\mathrm{e}^{-\mathrm{i}X}\mathrm{e}^{-\mathrm{i}Y}=\mathrm{e}^{-\mathrm{i}(X+Y)} (28)
=j=02ϰj(xX+yY)j\displaystyle=\sum\limits_{j=0}^{2}\varkappa_{j}(xX+yY)^{j} (29)
=c(0,0)+c(0,1)x+c(1,0)y\displaystyle=c(0,0)+c(0,1)x+c(1,0)y
+c(1,1)xy+c(2,0)x2+c(0,2)y2\displaystyle\quad+c(1,1)xy+c(2,0)x^{2}+c(0,2)y^{2} (30)
=𝒄𝒃(x,y)\displaystyle=\boldsymbol{c}\cdot\boldsymbol{b}(x,y) (31)

where we have applied Sylvester’s Theorem 3 at the second equality, noting that X,YHerm(3)X,Y\in\operatorname{Herm}(\mathbb{C}^{3}) and thus there are terms up to degree two in the polynomial appearing in its application. Here we require that [X,Y]=0[X,Y]=0 in order to proceed to the second equality of Eq. (28). Explicitly, we have

c(0,0)\displaystyle c(0,0) =ϰ0𝟙\displaystyle=\varkappa_{0}\mathds{1}
c(1,0)\displaystyle c(1,0) =ϰ1X\displaystyle=\varkappa_{1}X
c(0,1)\displaystyle c(0,1) =ϰ1Y\displaystyle=\varkappa_{1}Y
c(2,0)\displaystyle c(2,0) =ϰ2X2\displaystyle=\varkappa_{2}X^{2}
c(0,2)\displaystyle c(0,2) =ϰ2Y2\displaystyle=\varkappa_{2}Y^{2}
c(1,1)\displaystyle c(1,1) =2ϰ2XY.\displaystyle=2\varkappa_{2}XY.

Note the dot product of the monomial vector 𝒃(x,y)=(1xyxyx2y2)T\boldsymbol{b}(x,y)=\begin{pmatrix}1&x&y&xy&x^{2}&y^{2}\end{pmatrix}^{T} with the vector of coefficients 𝒄\boldsymbol{c}. Applying OO from the left, that is, in OUx(x)Uy(y)OU_{x}(x)U_{y}(y) we obtain the modified polynomial,

OUx(x)Uy(y)\displaystyle OU_{x}(x)U_{y}(y) =Oc(2,0)x2+Oc(0,2)y2\displaystyle=Oc(2,0)x^{2}+Oc(0,2)y^{2} (32)
+Oc(1,1)xy+Oc(0,0)\displaystyle\quad+Oc(1,1)xy+Oc(0,0)
+Oc(1,0)x+Oc(0,1)y.\displaystyle\quad+Oc(1,0)x+Oc(0,1)y.\

Thus, when we substitute this expression into the VQA objective we obtain,

OUx(x)Uy(y)|Ψ02=O(𝒄𝒃(x,y))|Ψ02\displaystyle\left\|OU_{x}(x)U_{y}(y)|\Psi_{0}\rangle\right\|^{2}=\left\|O(\boldsymbol{c}\cdot\boldsymbol{b}(x,y))|\Psi_{0}\right\|^{2} (33)
=Ψ0|0j11+j1220j21+j222O~j11,j12O~j21,j22xj11+j21yj12+j22|Ψ0\displaystyle=\langle\Psi_{0}|\sum_{\begin{subarray}{c}0\leq j^{1}_{1}+j^{2}_{1}\leq 2\\ 0\leq j^{1}_{2}+j^{2}_{2}\leq 2\end{subarray}}\tilde{O}_{j^{1}_{1},j^{2}_{1}}^{\dagger}\tilde{O}_{j^{1}_{2},j^{2}_{2}}x^{j^{1}_{1}+j^{1}_{2}}y^{j^{2}_{1}+j^{2}_{2}}|\Psi_{0}\rangle (34)

where O~j1,j2=Oc(j1,j2)Herm(𝟝)\tilde{O}_{j^{1},j^{2}}=Oc(j^{1},j^{2})\in\operatorname{Herm}(\mathbb{C^{5}}), since, as we have seen, each c(i,j)c(i,j) corresponds to a certain monomial in Hamiltonians {Hi}\{H_{i}\}. Expanding yields

0\displaystyle 0 =Ψ0|O~0,0O~0,0|Ψ0\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{0,0}^{\dagger}\tilde{O}_{0,0}}{\Psi_{0}} (35)
0\displaystyle 0 =Ψ0|O~1,0O~0,0+O~0,0𝒪1,0|Ψ0(=0y)\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{1,0}^{\dagger}\tilde{O}_{0,0}+\tilde{O}_{0,0}^{\dagger}\mathcal{O}_{1,0}}{\Psi_{0}}(=0\cdot y)
0\displaystyle 0 =Ψ0|O~0,1O~0,0+O~0,0O~0,1|Ψ0(=0x)\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{0,1}^{\dagger}\tilde{O}_{0,0}+\tilde{O}_{0,0}^{\dagger}\tilde{O}_{0,1}}{\Psi_{0}}(=0\cdot x)
ηxy\displaystyle\eta_{xy} =Ψ0|O~0,0O~1,1+O~0,1O~1,0+O~1,0O~0,1|Ψ0\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{0,0}^{\dagger}\tilde{O}_{1,1}+\tilde{O}_{0,1}^{\dagger}\tilde{O}_{1,0}+\tilde{O}_{1,0}^{\dagger}\tilde{O}_{0,1}}{\Psi_{0}}
ηy\displaystyle\eta_{y} =Ψ0|O~2,0O~0,0+O~0,0O~2,0+O~1,0O~1,0|Ψ0\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{2,0}^{\dagger}\tilde{O}_{0,0}+\tilde{O}_{0,0}^{\dagger}\tilde{O}_{2,0}+\tilde{O}_{1,0}^{\dagger}\tilde{O}_{1,0}}{\Psi_{0}}
ηx\displaystyle\eta_{x} =Ψ0|O~0,2O~0,0+O~0,0O~0,2+O~0,1O~0,1|Ψ0.\displaystyle=\braket{\Psi_{0}}{\tilde{O}_{0,2}^{\dagger}\tilde{O}_{0,0}+\tilde{O}_{0,0}^{\dagger}\tilde{O}_{0,2}+\tilde{O}_{0,1}^{\dagger}\tilde{O}_{0,1}}{\Psi_{0}}.

If there exist O,H1,H2O,H_{1},H_{2} and |Ψ0\ket{\Psi_{0}} such that (35) has a solution, then we can encode the problem of finding zeros of the polynomial as this VQA. But in fact, we have two degrees of freedom in |Ψ0\ket{\Psi_{0}} and six degrees of freedom with OO. We potentially have at least two additional degrees of freedom with the choice of H1H_{1} and H2H_{2}, which, in turn, modify 𝒄\boldsymbol{c}. In Fig. 4 we provide a sample SAGE script to test whether the space we are interested in is empty or not.

Summary of the construction

We started from Eq. (27) and applied Sylvester’s formula (based on Caley-Hamilton theorem) to the product of unitaries i=057U58i(ϕ58i)\prod_{i=0}^{57}U_{58-i}(\phi_{58-i}) as to obtain 𝒄𝒃(ϕ)\boldsymbol{c}\cdot\boldsymbol{b}(\boldsymbol{\phi}). This allows us to reformulate the original product of unitaries, as usually understood in the VQAs, in terms of a system of complex equations which when enforced to produce the coefficients of the square of the UDE of interest, D(58,4)D(58,4), achieve the encoding of the VQA into the UDE provided at least one solution exists.

IV Translating the Main Result to QAOA

The reasoning above and most importantly Theorem 5 and Corollary 6 apply equally well to QAOA in the digitized version:

Problem 7 (QAOA minimization problem, [13]).
Instance

Two Hamiltonians Hb,HcHerm(n)H_{b},H_{c}\in\operatorname{Herm}(\mathbb{C}^{n}) and the number of layers LL in unary notation777This means that the length of the input scales linearly with LL..

Optimization version

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, Ub(β)=eiHbβU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta} and Uc(γ)=eiHcγU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}, find 𝜷,𝜸d\boldsymbol{\beta},\boldsymbol{\gamma}\in\mathbb{R}^{d} which minimize O(𝜷,𝜸)Ψ(𝜷,𝜸)|Hc|Ψ(𝜷,𝜸)\left<O(\boldsymbol{\beta},\boldsymbol{\gamma})\right>\coloneqq\left\langle\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right|H_{c}\left|\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right\rangle.

Decision version for aa\in\mathbb{R}

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, Ub(β)=eiHbβU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta} and Uc(γ)=eiHcγU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}, decide if there exists 𝜷,𝜸d\boldsymbol{\beta},\boldsymbol{\gamma}\in\mathbb{R}^{d} such that O(𝜷,𝜸)Ψ(𝜷,𝜸)|Hc|Ψ(𝜷,𝜸)a\left<O(\boldsymbol{\beta},\boldsymbol{\gamma})\right>\coloneqq\left\langle\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right|H_{c}\left|\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right\rangle\leq a.

Theorem 8 (Undecidability of optimization in QAOA).

Decision version of QAOA minimization problem (Problem 7) is undecidable for L=58L=58 layers.

Proof.

Consider LL unitary operators parametrized by 𝜸L\boldsymbol{\gamma}\in\mathbb{R}^{L} acting on some prepared state |Ψ(𝜷)\ket{\Psi(\boldsymbol{\beta})} which is a function of 𝜷L\boldsymbol{\beta}\in\mathbb{R}^{L}. Then for any LL we define the VQA ansatz with parameter 𝜸\boldsymbol{\gamma}

|Ψ(𝜸)=i=0L1Uc(γLi)|Ψ~0(𝜷),\displaystyle\ket{\Psi(\boldsymbol{\gamma})}=\prod_{i=0}^{L-1}U_{c}(\gamma_{L-i})\ket{\tilde{\Psi}_{0}(\boldsymbol{\beta})}, (36)

where the VQA layers of unitaries act on a parameterized state

|Ψ~0(𝜷)=i=0L1Ub(βLi)|Ψ0,\displaystyle\ket{\tilde{\Psi}_{0}(\boldsymbol{\beta})}=\prod_{i=0}^{L-1}U_{b}(\beta_{L-i})\ket{\Psi_{0}}, (37)

and, as before, UbeiHbU_{b}\eqqcolon{\rm e}^{-\mathrm{i}H_{b}} and UceiHcU_{c}\eqqcolon{\rm e}^{-\mathrm{i}H_{c}}. Assume HbH_{b} is diagonal, as in Eq. (38) below or by diagonalizing the usual tensor product of σx\sigma_{x} matrices as in [9], and HcH_{c} is symmetric. Since HbH_{b} and HcH_{c} commute and we form the QAOA ansatz

|Ψ(𝜷,𝜸)\displaystyle\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})} =i=0L1Uc(γLi)Ub(βLi)|Ψ0\displaystyle=\prod_{i=0}^{L-1}U_{c}(\gamma_{L-i})U_{b}(\beta_{L-i})\ket{\Psi_{0}}

and Theorem 5 applies directly. Notice that to show undecidability, it is sufficient to show the undecidability of this special case.

In general, QAOA utilizes the Ising model Hamiltonian which is proportional to Nσz\otimes^{N}\sigma_{z}, and corresponds to a symmetric block matrix indeed. This means that Ub(βi+1)Uc(γi)=Uc(γi)Ub(βi+1)U_{b}(\beta_{i+1})U_{c}(\gamma_{i})=U_{c}(\gamma_{i})U_{b}(\beta_{i+1}). Then Theorem 5 applies.

Alternatively, one can use the reduction from single layer VQA to QAOA, which has been introduced by Bittel and Kliesch [13], and then invoke our Theorem 5 again. ∎

For the convenience of the reader, the reduction of Bittel and Kliesch [13] considers a Hilbert space =2d+1\mathcal{H}=\mathbb{C}^{2d+1} and considers a mixer Hamiltonian HbH_{b} that takes the form

Hb=(E1E1EdEd1)\displaystyle H_{b}=\begin{pmatrix}E_{1}&&&&&\\ &-E_{1}&&&&\\ &&\ddots&&&\\ &&&E_{d}&&\\ &&&&-E_{d}&\\ &&&&&1\ \end{pmatrix} (38)

where |Ei|<1|E_{i}|<1 for all i[d]i\in[d]. For the optimization Hamiltonian HcH_{c} (which amounts to the VQE Hamiltonian), consider

Hc\displaystyle H_{c} =O0+τ(|+2d2d+1|+|2d+1+|2d),\displaystyle=O\oplus 0+\tau\left(\ket{+}_{2d}\bra{2d+1}+\ket{2d+1}\bra{+}_{2d}\right), (39)

where τ\tau\in\mathbb{R} is some constant to be fixed, |+2d=j=12d|j/2d\ket{+_{2d}}=\sum_{j=1}^{2d}\ket{j}/\sqrt{2d}. The observable OO is defined as follows:

Oi,j={Oi,jij,α=12dOα,ji=j,\displaystyle O_{i,j}=\begin{cases}O_{i,j}^{\prime}&i\neq j,\\ -\sum_{\alpha=1}^{2d}O_{\alpha,j}^{\prime}&i=j,\end{cases} (40)

where O:=d8A(1111)O^{\prime}:=\frac{d}{8}A\otimes\begin{pmatrix}1&1\\ 1&1\end{pmatrix} and A{0,1}d×dA\in\{0,1\}^{d\times d}. Note that O0O\oplus 0 refers to OO being embedded in the first 2d2d-dimensional summand of \mathcal{H}. The ground state energy of the mixer Hamiltonian HbH_{b} is λmin(Hb)=1\lambda_{\min}(H_{b})=-1 as deducted from Eq. (38) with the ground state being |2d+1\ket{2d+1}. Then, applying the optimization Hamiltonian and using the fact that |+2d\ket{+_{2d}} is an eigenstate of O0O\oplus 0 yields

|Ψ(γ)\displaystyle\ket{\Psi(\gamma)} Uc(γ)|2d+1\displaystyle\coloneqq U_{c}(\gamma)\ket{2d+1} (41)
=cos(τγ)|2d+1+isin(τγ)|+2d.\displaystyle=\cos(\tau\gamma)\ket{2d+1}+\mathrm{i}\sin(\tau\gamma)\ket{+_{2d}}.\

Overall, the variational state |Ψ(β,γ)\ket{\Psi(\beta,\gamma)} can be written as

|Ψ(β,γ)\displaystyle\ket{\Psi(\beta,\gamma)} =Ub(β)Uc(γ)|2d+1\displaystyle=U_{b}(\beta)U_{c}(\gamma)\ket{2d+1}
=cos(τγ)eiβ|2d+1\displaystyle=\cos(\tau\gamma)\mathrm{e}^{\mathrm{i}\beta}\ket{2d+1}
+isin(τγ)12dj=1deiEjβ|2j1+eiEjβ|2j,\displaystyle\quad+\mathrm{i}\sin(\tau\gamma)\tfrac{1}{\sqrt{2d}}\sum_{j=1}^{d}\mathrm{e}^{-\mathrm{i}E_{j}\beta}\ket{2j-1}+\mathrm{e}^{\mathrm{i}E_{j}\beta}\ket{2j}\,,

which we use to derive an expression for the expectation value

O(β,γ)\displaystyle\left<O(\beta,\gamma)\right> =Ψ(β,γ)|Hc|Ψ(β,γ)\displaystyle=\bra{\Psi(\beta,\gamma)}H_{c}\ket{\Psi(\beta,\gamma)} (42)
=sin2(τγ)f(β)+2τcos(τγ)sin(τγ)g(β)\displaystyle=\sin^{2}(\tau\gamma)f(\beta)+2\tau\cos(\tau\gamma)\sin(\tau\gamma)g(\beta)

with

f(β)\displaystyle f(\beta) =14i,j(Ai,j(cos(Eiβ)cos(Ejβ)1),\displaystyle=\frac{1}{4}\sum_{i,j}(A_{i,j}(\cos(E_{i}\beta)\cos(E_{j}\beta)-1)\,, (43)
g(β)\displaystyle g(\beta) =sin(β)di=1dcos(Ejβ).\displaystyle=-\frac{\sin(\beta)}{d}\sum_{i=1}^{d}\cos(E_{j}\beta)\,. (44)

For τ1\tau\ll 1 the contribution of gg becomes insignificant and γ=π2τ\gamma=\frac{\pi}{2\tau} minimizes the objective function as f(β)0f(\beta)\leq 0.

V Further results on QAOA for open quantum systems

In this Section, we remark on how the consideration of open quantum systems can influence undecideability, with respect to the conjecture presented. In open quantum systems, the system can be modeled as Ub(β)=eiHbβ+ηbU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta}+\eta_{b} and Uc(γ)=eiHcγ+ηcU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}+\eta_{c}, for which unitarity is not assured for all realizations of noise ηb,ηcHerm(n)\eta_{b},\eta_{c}\in\operatorname{Herm}(\mathbb{C}^{n}). For example, consider a level two system with ηb\eta_{b} given as:

ηb=(zwei(θ+ϵ)weiθz),\displaystyle\eta_{b}=\left(\begin{array}[]{c c}z&w\\ -\mathrm{e}^{\mathrm{i}(\theta+\epsilon)}w^{*}&\mathrm{e}^{\mathrm{i}\theta}z^{*}\end{array}\right), (47)

where z,wz,w\in\mathbb{C}, denotes complex conjugation and θ,ϵ\theta,\epsilon\in\mathbb{R}. Even for 0<ϵ10<\epsilon\ll 1, ηb\eta_{b} is nonunitary. One can impose ϵ\epsilon to be a monotonically increasing function of time, ϵ(t)\epsilon(t) with initial condition ϵ(0)=0\epsilon(0)=0, such that for small tt the evolution can be written as:

|Ψ(t)=(eiHt+ηb(t))|𝟎.\displaystyle|\Psi(t)\rangle=(\mathrm{e}^{-\mathrm{i}Ht}+\eta_{b}(t))|\boldsymbol{0}\rangle. (48)

In the context of QAOA, the parameter tt can be substituted with the angle 𝜷\boldsymbol{\beta}. Notice that this is a perfectly reasonable assumption: QAOA is precisely motivated as a variational solver to perform on noisy quantum devices.

Another possibility is to consider controlled systems such as states that evolve as

iddt|Ψ(t)=(H+ϵ(t)ξ)|𝟎,|Ψ|t=0=|𝟎.\displaystyle\mathrm{i}\frac{d}{dt}|{\Psi(t)}\rangle=\left(H+\epsilon(t)\xi\right)|\boldsymbol{0}\rangle,\left.\quad|\Psi\right\rangle|_{t=0}=|\boldsymbol{0}\rangle.

This state evolves according to Hamiltonian HHerm(n)H\in{\rm Herm}(\mathbb{C}^{n}) as well as a Hermitian operator ξHerm(n)\xi\in{\rm Herm}(\mathbb{C}^{n}) controlled by a time-dependent external field ϵ(t)\epsilon(t). In this context, if HH is the target Hamiltonian HcH_{c}, we see that the addition of the second summand ϵ(t)ξ\epsilon(t)\xi makes the evolution operator nonunitary.

Clearly, when one does not have access to the samples of noise, it is impossible to say a priori what would be evolution of the state under, e.g., QAOA. Interestingly, however, even in the clairvoyant setting, where we knew the realization of the noise a priori, and even in the case where the distribution of the noise were singular, i.e., the realizations ηb,ηcHerm(n)\eta_{b},\eta_{c}\in\operatorname{Herm}(\mathbb{C}^{n}) of noise were constant throughout time, possibly very small but sufficient to make the evolution non-unitary, it is impossible to decide whether the non-unitary evolution is convergent or not.

Problem 9 (QAOA convergence).
Instance

Two Hamiltonians Hb,HcHerm(n)H_{b},H_{c}\in\operatorname{Herm}(\mathbb{C}^{n}) and the number of layers LL in unary notation. Two realizations of noise associated with the two Hamiltonians ηb,ηcHerm(n)\eta_{b},\eta_{c}\in\operatorname{Herm}(\mathbb{C}^{n}), which assure that neither Ub(β)=eiHbβ+ηbU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta}+\eta_{b} nor Uc(γ)=eiHcγ+ηcU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}+\eta_{c} are unitary,

Decision version

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, decide whether there exists a limit to the sequence produced by QAOA.

Theorem 10.

The QAOA convergence problem is undecidable.

Proof.

We can prove this by reduction from [29], which shows that the stability of a switched linear system is undecidable. ∎

In practice, the pulses that implement unitary gates in NISQ devices do so in a discrete and finite fashion. Therefore, we reformulate Problem (9) to a digitized version as follows.

Problem 11 (Digitized QAOA convergence).
Instance

Two Hamiltonians Hb,HcHerm(n)H_{b},H_{c}\in\operatorname{Herm}(\mathbb{C}^{n}) and the number of layers LL in unary notation. Parameters βi,γi𝔻\beta_{i},\gamma_{i}\in\mathbb{D} come from some finite, discrete set 𝔻\mathbb{D} of numbers representable by a single word in a digital computer.

Decision version

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, Ub(β)=eiHbβU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta} and Uc(γ)=eiHcγU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}, decide whether there exists a limit to the sequence produced by QAOA.

Proposition 12.

Digitized QAOA convergence is undecidable.

Proof.

Since βi,γi\beta_{i},\gamma_{i} come from some finite, discrete ordered set, by setting Ui=Ub(βi)Uc(γi)U_{i}=U_{b}(\beta_{i})U_{c}(\gamma_{i}), the vocabulary 𝒰(L)={U1,,UL}\mathcal{U}_{(L)}=\{U_{1},\ldots,U_{L}\} is finite. The convergence of products of operators of the form ΠU=UnU1\Pi_{U}=U_{n}\ldots U_{1} can be determined by computing the joint spectral radius ρ^(𝒰)\hat{\rho}(\mathcal{U}). This is an instance of Problem (22). It is known that convergence of ΠU\Pi_{U} holds only if ρ^(𝒰(L))<1\hat{\rho}(\mathcal{U}_{(L)})<1 which is itself an instance of Problem (21). It was shown in [29], that the USR is undecidable implying that BMP is undecidable too. The proof is based on a reduction of the problem of probabilistic finite automata emptiness to USR and it amounts into showing that ρ^(𝒰(L))>1\hat{\rho}(\mathcal{U}_{(L)})>1 and ρ^(𝒰(L))1\hat{\rho}(\mathcal{U}_{(L)})\leq 1. The proof also covers QAOA. ∎

Proposition 13.

Assuming Conjecture 4 holds, there exists no recursive function to decide whether the digitized QAOA convergence problem has a solution.

Proposition 14.

Digitized QAOA is undecidable for the product of two matrices (L=1L=1).

Proof.

To ease the notation, we skip the argument of the unitaries since it is fixed. The set 𝒰(1)={Ub,Uc}\mathcal{U}_{(1)}=\{U_{b},U_{c}\} defined a dictionary out of which one can form words of length LL. The decidability problem for 𝒰(1)\mathcal{U}_{(1)} can be deduced from the proof of Theorem (14): First, one defines the set of two nL×nLnL\times nL matrices 𝒰~(1)={U,T}\tilde{\mathcal{U}}_{(1)}=\{U,T\} where U=diag(U1,,UL)U=\mathrm{diag}(U_{1},\ldots,U_{L}) and

T=(0𝟙n(L1)𝟙n0),\displaystyle T=\begin{pmatrix}0&\mathds{1}_{n(L-1)}\\ \mathds{1}_{n}&0\end{pmatrix}, (49)

where 𝕀n\mathbb{I}_{n} is the n×nn\times n identity matrix. Then it is easy to verify that ρ(𝒰(n))1\rho(\mathcal{U}_{(n)})\leq 1 if and only if ρ(𝒰~(1))1\rho(\tilde{\mathcal{U}}_{(1)})\leq 1 [29]. This is based on the proof of Theorem 23. ∎

VI Conclusions

We have shown that training VQA is undecidable, assuming a certain conjecture on the solvability of a certain structured system of equations in complex numbers.

The investigation has shown that the undecidability of VQA via universal Diophantine quations is not completely straightforward. Instead, the undecidability is related to the solvability of an overdetermined, but highly-structured complex-variate system of equations. Algorithmically, confirmation of the conjecture would confirm the broadly shaping consensus that VQA is rather “heuristic”, with behaviour hard to characterize and whose use across a wide enough class of possible instances cannot be fully reliable. While this may not be an issue in many applications of optimization in engineering and chemistry, it seems unlikely that applications in number theory [30] would be successful.

Note that affirmation of the conjecture does not rule out computability in specific instances, or even specific broad classes of Hamiltonians. Indeed, computability has been shown for large-girth regular graphs [31], projectors [32], and the Sherrington-Kirkpatrick model [33, 31].

Acknowledgements.
This work has been partially supported by project MIS 5154714 of the National Recovery and Resilience Plan Greece 2.0 funded by the European Union under the NextGenerationEU Program.

DISCLAIMER

This paper was prepared for information purposes and is not a product of HSBC Bank Plc. or its affiliates. Neither HSBC Bank Plc. nor any of its affiliates make any explicit or implied representation or warranty and none of them accept any liability in connection with this paper, including, but not limited to, the completeness, accuracy, reliability of information contained herein and the potential legal, compliance, tax or accounting effects thereof. Copyright HSBC Group 2025.

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Appendix A Background and Related Work

A.1 Variational Quantum Algorithms

Variational Quantum Algorithms comprise a category of hybrid quantum-classical algorithms [2]. A classical optimization problem is translated into a physical quantum problem associated with a Hamiltonian HH. The optimization process involves minimizing the ground state energy corresponding to Hamiltonian HH. Once this mapping is established, execution on a quantum computer requires preparing an initial state |ψ0|\psi_{0}\rangle and allowing it to evolve according to HH through a parametrized quantum circuit, with parameter vector ϕL\boldsymbol{\phi}\in\mathbb{R}^{L}, also referred to as the variational form. Consequently, the evolved state |ψ(ϕ)=U(ϕ)|ψ0|\psi(\boldsymbol{\phi})\rangle=U(\boldsymbol{\phi})|\psi_{0}\rangle is obtained.

Refer to caption
Figure 2: Schematic of the architecture of variational quantum algorithms. The classical optimizer undertakes the task to update the parameters ϕϕ\boldsymbol{\phi}\to\boldsymbol{\phi}^{\prime} such that the cost function is minimized. The loop halts once optimal parameters have been found.

The unitary operator UU, that is being implemented by a set of gates in the parametrized quantum circuit, approximates eiH(ϕ)t{\rm e}^{-{\rm i}H(\boldsymbol{\phi})t} within some error margin where tt denotes time and HHerm(n)H\in\operatorname{Herm}(\mathbb{C}^{n}) the (parametrized) system Hamiltonian. The optimal values of the parameters are not known so a random initialization is due. Subsequently, expectation values of specific observables are measured and a cost function C(ϕ)C(\boldsymbol{\phi}) is constructed that is fed into a classical optimizer that minimizes it. Once an optimal value is found, the classical computer updates the values for the parameters ϕ\boldsymbol{\phi} into the quantum circuit and the procedure repeats.

QAOA is a variational algorithm whose objective is to approximately solve certain types of combinatorial optimization problems such as 𝖬𝖺𝗑𝖢𝗎𝗍\mathsf{MaxCut} and 𝟥𝖲𝖠𝖳\mathsf{3-SAT} problems. QAOA uses the adiabatic theorem which states that a slow enough transition between two Hamiltonians HbH_{b} and HcH_{c} guarantees that the ground state |ψb|\psi_{b}\rangle of HbH_{b} slowly transitions to the ground state |ψc|\psi_{c}\rangle of HcH_{c} as long as the Hamiltonians are gapped and level crossings are avoided  [34].

Typically, the QAOA first creates an initial state |+n|+\rangle^{\otimes n}, by applying nn Hadamard gates to |𝟎n|\boldsymbol{0}\rangle^{\otimes n}, that evolves according to the mixer Hamiltonian Hb=i=0n1XiH_{b}=\sum_{i=0}^{n-1}{X}_{i}. The quantum circuit applies successively LL layers of the unitaries neiβnHbeiγnHc\prod_{n}\mathrm{e}^{-\mathrm{i}\beta_{n}{H}_{b}}\mathrm{e}^{-\mathrm{i}\gamma_{n}{H}_{c}}, n=0,,Ln=0,\ldots,L to create a trial state |Ψ(𝜷,𝜸)|\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\rangle. The parameters 𝜷,𝜸\boldsymbol{\beta},\boldsymbol{\gamma} are then fed to a classical optimizer so as to be updated for the next iteration of the algorithm.

VQAs in general, and QAOA specifically, needs to overcome several difficulties in order to perform reasonably efficient computations. One such difficulty is the challenge to find variational forms such that resulting cost function provides with optimal solutions p^t\hat{p}_{t}, at each iteration tt, that minimize the error εp\varepsilon_{p} to the actual but unknown optimum pp^{*} of the optimization problem:

εp=|p^p|.\displaystyle\varepsilon_{p}=|\hat{p}-p^{*}|. (50)

However, this is heavily constrained by the hardware capabilities of NISQ devices including gate fidelities, decoherence times, circuit depth, etc. Once a solution p^t\hat{p}_{t} has been found, the classical optimizer needs to perform efficient search within the parameter landscape such that the estimation of the next iteration is closer to pp^{*} and the error converges to zero, limrεp(r)0\lim_{r}\varepsilon_{p}^{(r)}\to 0, for finite r1r\in\mathbb{Z}_{\geq 1} being the iteration number.

A.2 Complexity of Classical Subproblems in Variational Quantum Algorithms

There exists a multitude of formalizations for variational quantum algorithms. In this work we use the notation of [13], presented the following:

Problem 15 (VQA minimization, oracular formulation, paraphrasing [13]).
Instance

A set of generators {Hi}i{1,,L}\{H_{i}\}_{i\in\{1,\dots,L\}} and an observable OO acting on =(2)N\mathcal{H}=(\mathbb{C}^{2})^{\otimes N}, given in terms of their Pauli basis representation.

Oracle access

We set |Ψ(ϕ)UL(ϕL)U1(ϕ1)|𝟎\ket{\Psi(\boldsymbol{\phi})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\boldsymbol{0}} with

Ui(ϕi)=eiHiϕi.\displaystyle U_{i}(\phi_{i})=\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}. (51)

The oracle 𝒪\mathcal{O} returns O(ϕ)Ψ(ϕ)|O|Ψ(ϕ)\left<O(\boldsymbol{\phi})\right>\coloneqq\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle, given ϕ\boldsymbol{\phi}, up to any desired polynomial additive error.

Optimization version

Find ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} that minimizes O(ϕ)\left<O(\boldsymbol{\phi})\right> provided access to 𝒪\mathcal{O}.

Decision version for aa\in\mathbb{R}

Decide whether there exists ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} whose value O(ϕ)a\left<O(\boldsymbol{\phi})\right>\leq a provided access to 𝒪\mathcal{O}.

Theorem 16 (Hardness of VQA optimization, decision version with the oracular formulation, paraphrasing [13]).

Assuming 𝖯𝖭𝖯{\mathsf{P}}\neq{\mathsf{NP}} there is no deterministic classical algorithm that solves the decision version of Problem 15 in polynomial time.

Alternatively, with computational basis of the Hilbert space \mathcal{H} of dimension dim()=2Nn\dim(\mathcal{H})=2^{N}\eqqcolon n we formulate the following problem:

Problem 17 (VQA minimization problem, paraphrasing [13] ).
Instance

An initial state |Ψ0n\ket{\Psi_{0}}\in\mathbb{C}^{n}, a set of generators {Hi}i{1,,L}Herm(n)\{H_{i}\}_{i\in\{1,\dots,L\}}\in\operatorname{Herm}(\mathbb{C}^{n}), where LL is the number of layers and an observable OHerm(n)O\in\operatorname{Herm}(\mathbb{C}^{n}).

Optimization version

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi(\boldsymbol{\phi})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})=\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, find ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} that minimizes O(ϕ)Ψ(ϕ)|O|Ψ(ϕ)\left<O(\boldsymbol{\phi})\right>\coloneqq~{}\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle.

Decision version for aa\in\mathbb{R}

For |Ψ(ϕ)UL(ϕL)U1(ϕ1)|Ψ0\ket{\Psi({\boldsymbol{\phi}})}\coloneqq U_{L}(\phi_{L})\cdots U_{1}(\phi_{1})\ket{\Psi_{0}} with Ui(ϕi)=eiHiϕiU_{i}(\phi_{i})~{}=~{}\mathrm{e}^{-\mathrm{i}H_{i}\phi_{i}}, determine if there exists ϕL\boldsymbol{\phi}\in\mathbb{R}^{L} for which Ψ(ϕ)|O|Ψ(ϕ)a\left\langle\Psi(\boldsymbol{\phi})\right|O\left|\Psi(\boldsymbol{\phi})\right\rangle\leq a.

Theorem 18 (Hardness of VQA optimization, paraphrasing [13]).

Optimization version of VQA minimization problem (Problem 1) is 𝖭𝖯\mathsf{NP}-hard. Decision version of VQA minimization problem (Problem 1) is 𝖭𝖯\mathsf{NP}-hard for L=1L=1 layer.

This result implies that even when simplifying the problem to a single layer, the decision version remains computationally difficult. VQA minimization involves finding a global minimum of a multimodal objective landscape, a 𝖭𝖯\mathsf{NP}-hard problem. The similarity lies in that their objective functions exhibit non-linear and non-convex properties, leading to numerous local minima and complicating the search for global optima. Famously, Blum and Rivest [35] showed that training a 3-neuron multi-layer perceptron, which has a similar landscape, is 𝖭𝖯\mathsf{NP}-Complete. (See [36] for relevant results and [37] for some recent work on the topic from the neural network reachability point of view.)

Next we proceed to discuss analogous results about QAOA, the algorithm we will dominantly use for the main result of this paper in Sec. III.

Problem 19 (QAOA minimization problem, [13]).
Instance

Two Hamiltonians Hb,HcHerm(n)H_{b},H_{c}\in\operatorname{Herm}(\mathbb{C}^{n}) and the number of layers LL in unary notation888This means that the length of the input scales linearly with LL..

Optimization version

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, Ub(β)=eiHbβU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta} and Uc(γ)=eiHcγU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}, find 𝜷,𝜸d\boldsymbol{\beta},\boldsymbol{\gamma}\in\mathbb{R}^{d} which minimize O(𝜷,𝜸)Ψ(𝜷,𝜸)|Hc|Ψ(𝜷,𝜸)\left<O(\boldsymbol{\beta},\boldsymbol{\gamma})\right>\coloneqq\left\langle\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right|H_{c}\left|\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right\rangle.

Decision version for aa\in\mathbb{R}

For a tunable state |Ψ(𝜷,𝜸)Ub(βL)Uc(γL)Ub(β1)Uc(γ1)|Ψ0\ket{\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})}\coloneqq U_{b}(\beta_{L})U_{c}(\gamma_{L})\cdots U_{b}(\beta_{1})U_{c}(\gamma_{1})\ket{\Psi_{0}}, where |Ψ0\ket{\Psi_{0}} is the ground state of HbH_{b}, Ub(β)=eiHbβU_{b}(\beta)=\mathrm{e}^{-\mathrm{i}H_{b}\beta} and Uc(γ)=eiHcγU_{c}(\gamma)=\mathrm{e}^{-\mathrm{i}H_{c}\gamma}, decide if there exists 𝜷,𝜸d\boldsymbol{\beta},\boldsymbol{\gamma}\in\mathbb{R}^{d} such that O(𝜷,𝜸)Ψ(𝜷,𝜸)|Hc|Ψ(𝜷,𝜸)a\left<O(\boldsymbol{\beta},\boldsymbol{\gamma})\right>\coloneqq\left\langle\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right|H_{c}\left|\Psi(\boldsymbol{\beta},\boldsymbol{\gamma})\right\rangle\leq a.

Theorem 20 (Hardness of optimization in QAOA, [13]).

Decision version of QAOA minimization problem (Problem 7) is 𝖭𝖯\mathsf{NP}-hard for L=1L=1 layer.

Proof.

To show this, we show a reduction from single layer VQA to QAOA, which implies that Problem 7 is 𝖭𝖯\mathsf{NP}-hard. ∎

The proof of Theorem 20 is based on the proof that VQA is 𝖭𝖯\mathsf{NP}-hard even for L=1L=1. In the subsequent section, we show that 𝖭𝖯\mathsf{NP}-hardness is a very conservative estimate. In particular, we show that certain problems associated to VQAs and QAOAs are undecidable.

A.3 Undecidability in Quantum Computing

Undecidability is a much stronger notion than 𝖭𝖯\mathsf{NP}-hardness. Instead of proving a conditional statement on the non-existence of a polynomial-time algorithm for obtaining a solution, e.g. Proposition 16, undecidability is an unconditional statement on the non-existence of a finite-time algorithm for indicating whether a solution satisfying a certain objective even exists.

While there is a long history of work on undecidability in physics [38], starting with the influential paper [39] on the undecidability in classical mechanics, only a handful of undecidability results are known in quantum information theory and quantum computing. Following the pioneering work of Lloyd [40, 41], Cubitt et al. [42] have shown the undecidability of the spectral gap, even in one dimension [43], and uncomputability [44] of phase diagrams. Smith [45] has shown that no fully general form of the quantum adiabatic theorem can exist that yields computable upper bounds on adiabatic convergence times. Bondar and Pechen [46] have shown uncomputability of a digitized quantum optimal control.

A.4 Undecidability in Control Theory

There is, however, a much longer tradition of the study of undecidability and uncomputability in control theory [47]. Using the notion of the generalized spectral radius [48], [29] show that the convergence of products of operators of the form of UL(ϕL)U1(ϕ1)U_{L}(\phi_{L})\ldots U_{1}(\phi_{1}) is undecidable.

The joint spectral radius [49] of a set of matrices is a measure of the maximal asymptotic growth rate that can be obtained by forming long products of matrices taken from a set 𝒜={A1,,An}\mathcal{A}=\{A_{1},\ldots,A_{n}\} of real n×nn\times n matrices.

Consider products A(t)=AtA1A_{(t)}=A_{t}\ldots A_{1}. For example, if 𝒜={A1,A2}\mathcal{A}=\{A_{1},A_{2}\} and t=2t=2,

A(2)={A12A22A1A2A2A1.\displaystyle A_{(2)}=\begin{cases}A_{1}^{2}\\ A_{2}^{2}\\ A_{1}A_{2}\\ A_{2}A_{1}\ \end{cases}. (52)

The spectral radius of a square matrix A𝒜A\in\mathcal{A} is defined as:

ρ(A)=max{|λ| such that λ is an eigenvalue of A}.\displaystyle\rho(A)=\mathrm{max}\{|\lambda|\text{ such that }\lambda\text{ is an eigenvalue of }A\}. (53)

A natural generalization of the spectral radius that serves as a measure of growth (tt\to\infty) of matrix products A(t)A_{(t)} is the joint spectral radius:

ρ^(𝒜)\displaystyle\hat{\rho}(\mathcal{A}) =limtsupρ^t(𝒜),\displaystyle=\lim_{t\to\infty}\sup\hat{\rho}_{t}(\mathcal{A}), (54)

where for some matrix norm \lVert\cdot\rVert we define

ρ^t(𝒜)=maxAi𝒜AtA11/t.\displaystyle\hat{\rho}_{t}(\mathcal{A})=\max_{A_{i}\in\mathcal{A}}\lVert A_{t}\ldots A_{1}\rVert^{1/t}. (55)

A very similar concept is that of the generalized spectral radius ρ(𝒜)\rho(\mathcal{A}) is defined as:

ρ(𝒜)=limtsupρt(AtA1),\displaystyle\rho(\mathcal{A})=\lim_{t\to\infty}\sup\rho_{t}(A_{t}\ldots A_{1}), (56)

where

ρt(𝒜)=maxAi𝒜ρ(AtA1)1/t.\displaystyle\rho_{t}(\mathcal{A})=\max_{A_{i}\in\mathcal{A}}\rho(A_{t}\ldots A_{1})^{1/t}. (57)

It is known that ρt(𝒜)ρ(𝒜)\rho_{t}(\mathcal{A})\leq\rho(\mathcal{A}) [50], while for any finite set of matrices 𝒜\mathcal{A} it holds that [51]

ρ^(𝒜)=ρ(𝒜).\displaystyle\hat{\rho}(\mathcal{A})=\rho(\mathcal{A}). (58)
Problem 21 (Unit Spectral Radius (USR)).
Input

A finite set 𝒜\mathcal{A} of n×nn\times n \mathbb{Q}-valued matrices.

Decision version for a=1a=1

Is the joint spectral radius ρ(𝒜)a\rho(\mathcal{A})\leq a?

Problem 22 (Bounded Matrix Products (BMP)).
Input

A finite set 𝒜\mathcal{A} of n×nn\times n \mathbb{Q}-valued matrices.

Decision version

Is the set of all matrix products bounded?

Attacking Problem (21) and Problem (22) amounts to the asymptotic computation of the joint spectral radius for 𝒜\mathcal{A}. If it is found to be less than one then the problem is decidable and the corresponding (switched) linear system is stable [29].

Theorem 23 (Blondel and Tsitsiklis, [29]).

The problems BMPs and USR are undecidable. They remain undecidable even in the special case where 𝒜\mathcal{A} consists of only two matrices.

A.5 Undecidability in Optimization

Optimization without any assumptions on the objective function is undecidable. This builds upon the work of Matiâsevič from the 1970 [52, 53, 54], which has resolved Hilbert’s tenth problem [55]. Hilbert’s tenth problem [55] asked for a general algorithm which, for any polynomial equation with integer coefficients and a finite number of unknowns that can decide whether the equation has a solution with all unknowns taking integer values. That is, given p[x]p\in\mathbb{Z}[x] with xdx\in\mathbb{R}^{d}, decide if p(x)=0p(x)=0 has integer solutions. Since Hilbert’s problem is equivalent to the decision problem of whether the real-valued optimization problem,

minxdp(x)+i=1dsin2(πxi)\displaystyle\min_{x\in\mathbb{R}^{d}}\,p(x)+\sum\limits_{i=1}^{d}\sin^{2}(\pi x_{i}) (59)

has a zero-valued optimum solution, where p(x)p(x) is the original polynomial 999 Cf. [39, Definition 3.10] or [56, Proof of Theorem 3] or a modern survey in [57]., this can be extended to optimization without the integrality of the variables:

Theorem 24 (Unconstrained continuous global minimization is undecidable, paraphrasing [56]).

Given a continuously differentiable function f(x1,,xL)f(x_{1},\ldots,x_{L}), unconstrained continuous global minimization seeks to find a global minimal solution of minfminf. The associated decision problem is: Given L,fL,f, a constant BB, does there exist xi,i=1,2,Lx_{i},i=1,2...,L such that f(x1,,xL)Bf(x_{1},\ldots,x_{L})\leq B? There exists no recursive function to decide this decision problem.

We refer to [57] for a nice survey, which fixes some issues with the proofs of [56].

Appendix B A Table of Notation

Variable Description Space Equation(s)
Ui(ϕi)U_{i}(\phi_{i}) parametrized unitaries U(n)U(n) (51),(16)
OO VQA operator Herm(n)\operatorname{Herm}(\mathbb{C}^{n}) (1),(16)
ϕ\boldsymbol{\phi} variational parameters 58\mathbb{R}^{58} (51),(16)
|Ψ0\ket{\Psi_{0}} initial state \mathcal{H} (16)
qj(ϕ)q_{j}(\phi) summand of SOS polynomial [ϕ]\mathbb{R}[\boldsymbol{\phi}] (15)
ϰj\varkappa_{j} Sylvester coefficients \mathbb{C} (5), (20)
cjc_{j} monomial choosing vector Herm(n)\operatorname{Herm}(\mathbb{C}^{n}) (20)
bj(ϕ)b_{j}(\boldsymbol{\phi}) monomial vector [ϕ]\mathbb{R}[\boldsymbol{\phi}] (20)
gig_{i} complex polynomial [𝒙,𝒘]\mathbb{C}[\boldsymbol{x},\boldsymbol{w}] (24)
System Parameters Variables Equation
UDE u,x,y,zu,x,y,z a,b,c,,τ,φa,b,c,\ldots,\tau,\varphi (60)
System # Variables # DOF Equation
Initial (16)
New (24)
Table 2: An overview of the notation.

Appendix C An Example of a UDE

(elg2+α(bxy)q2)2+\displaystyle(elg^{2}+\alpha-(b-xy)q^{2})^{2}+ (60)
(qb560)2+\displaystyle(q-b^{5^{60}})^{2}+
(λ+q41λb5)2+\displaystyle(\lambda+q^{4}-1-\lambda b^{5})^{2}+
(θ+2zb5)2+\displaystyle(\theta+2z-b^{5})^{2}+
(u+tθl)2+\displaystyle(u+t\theta-l)^{2}+
(y+mθe)2+\displaystyle(y+m\theta-e)^{2}+
(q16n)2+\displaystyle(q^{16}-n)^{2}+
([g+eq3+lq5+(2(ezλ)(1+xb5+g)4+\displaystyle\left([g+eq^{3}+lq^{5}+(2(e-z\lambda)(1+xb^{5}+g)^{4}+\quad\right.
λb5+λb5q4)q4][n2n]+\displaystyle\lambda b^{5}+\lambda b^{5}q^{4})q^{4}][n^{2}-n]+
[q3bl+1+θλq3+(b52)q5][n21]r)2+\displaystyle\left.[q^{3}-bl+1+\theta\lambda q^{3}+(b^{5}-2)q^{5}][n^{2}-1]-r\right)^{2}+
(2ws2r2n2p)2+\displaystyle(2ws^{2}r^{2}n^{2}-p)^{2}+
(p2k2k2+1τ2)2+\displaystyle(p^{2}k^{2}-k^{2}+1-\tau^{2})^{2}+
(4(cksn2)2+νk2)2+\displaystyle(4(c-ksn^{2})^{2}+\nu-k^{2})^{2}+
(r+1+hphk)2+\displaystyle(r+1+hp-h-k)^{2}+
((wn2+1)rsn2a)2+\displaystyle((wn^{2}+1)rsn^{2}-a)^{2}+
(2r+1+φc)2+\displaystyle(2r+1+\varphi-c)^{2}+
(bw+ca2c+4aγ5γd)2+\displaystyle(bw+ca-2c+4a\gamma-5\gamma-d)^{2}+
((a21)c2+1d2)2+\displaystyle((a^{2}-1)c^{2}+1-d^{2})^{2}+
((a21)i2c4+1f2)2+\displaystyle((a^{2}-1)i^{2}c^{4}+1-f^{2})^{2}+
(((a+f2(d2a))21)(2r+1+jc)2+1(d+of)2)2\displaystyle(((a+f^{2}(d^{2}-a))^{2}-1)(2r+1+jc)^{2}+1-(d+of)^{2})^{2}
Figure 3: Universal Diophantine equation D(28,2560)D(28,2\cdot 5^{60}) based on the work of [21, 17], where a,b,c,,s,t,w,α,γ,ν,θ,λ,τ,φa,b,c,\ldots,s,t,w,\alpha,\gamma,\nu,\theta,\lambda,\tau,\varphi are variables and u,x,y,zu,x,y,z are parameters that encode the Turing machine. Notice that the Universal Diophantine equation is a sum-of-squares polynomial, which is compatible with (2).

Appendix D Further clarifications and a simple example

In order to assist in understanding the form of the equation system, let us consider how a potential two-layer example, instead of the 58-layer case, which is our target, corresponds to an encoding of a degree-8 polynomial. We shall see the precise form of the vectors 𝒄\boldsymbol{c} and 𝒃\boldsymbol{b}. With HHerm(5)H\in\operatorname{Herm}(\mathbb{C}^{5}), such that the expansion runs for 0j40\leq j\leq 4, and utilizing Sylvester’s formula, we obtain the following:

c(0,0)\displaystyle c_{(0,0)} =ϰ0𝟙\displaystyle=\varkappa_{0}\mathds{1} (61)
c(1,0)\displaystyle c_{(1,0)} =ϰ1H1\displaystyle=\varkappa_{1}H_{1}
c(0,1)\displaystyle c_{(0,1)} =ϰ1H2\displaystyle=\varkappa_{1}H_{2}
c(2,0)\displaystyle c_{(2,0)} =ϰ2H12\displaystyle=\varkappa_{2}H_{1}^{2}
c(0,2)\displaystyle c_{(0,2)} =ϰ2H22\displaystyle=\varkappa_{2}H_{2}^{2}
c(1,1)\displaystyle c_{(1,1)} =2ϰ2H1H2\displaystyle=2\varkappa_{2}H_{1}H_{2}
c(3,0)\displaystyle c_{(3,0)} =ϰ3H13\displaystyle=\varkappa_{3}H_{1}^{3}
c(0,3)\displaystyle c_{(0,3)} =ϰ3H23\displaystyle=\varkappa_{3}H_{2}^{3}
c(2,1)\displaystyle c_{(2,1)} =3ϰ3H12H2\displaystyle=3\varkappa_{3}H_{1}^{2}H_{2}
c(1,2)\displaystyle c_{(1,2)} =3ϰ3H1H22\displaystyle=3\varkappa_{3}H_{1}H_{2}^{2}
c(4,0)\displaystyle c_{(4,0)} =ϰ4H14\displaystyle=\varkappa_{4}H_{1}^{4}
c(0,4)\displaystyle c_{(0,4)} =ϰ4H24\displaystyle=\varkappa_{4}H_{2}^{4}
c(3,1)\displaystyle c_{(3,1)} =4ϰ4H13H2\displaystyle=4\varkappa_{4}H_{1}^{3}H_{2}
c(1,3)\displaystyle c_{(1,3)} =4ϰ4H1H23\displaystyle=4\varkappa_{4}H_{1}H_{2}^{3}
c(2,2)\displaystyle c_{(2,2)} =6ϰ4H12H22,\displaystyle=6\varkappa_{4}H_{1}^{2}H_{2}^{2},\

where, for simplicity, we absorbed the complex unit into {Hi}\{H_{i}\}. All dependencies on ϕ\boldsymbol{\phi} are encoded in 𝒃(ϕ)\boldsymbol{b}(\boldsymbol{\phi}). Furthermore, observe that for each monomial degree i=j+ki=j+k, for c(j,k)c_{(j,k)}, only the coefficient ϰi\varkappa_{i} is relevant. From this example, it becomes clear that the indexing of 𝒄\boldsymbol{c} directly reveals the form of the corresponding monomial on the generators {Hi}i=158\{H_{i}\}_{i=1}^{58}. Furthermore, all c(j,k)c(j,k) contain equal degrees of freedom since they depend, thorough ϰj+k\varkappa_{j+k}, on all of the variational parameters,

c(j,k)=c(j,k)({ϕi},{H58}).\displaystyle c_{(j,k)}=c_{(j,k)}(\{\phi_{i}\},\{H_{58}\}). (62)

Appendix E An SAGE Script

var(’x,y,a1,a2,a4,b1,b2,c1,c2,d1,d2,a,b’)
g1(x,y)=a1*x^2  + a2*y^2 - a
g2(x,y)=b1*x^2  + b2*y^2 - b
g3(x,y)=c1*x^2  + c2*y^2
g4(x,y)=d1*x^2  + d2*y^2
R.<x,y,a1,a2,b1,b2,c1,c2,d1,d2> =
   CC[x,y,a1,a2,b1,b2,c1,c2,c3,d1,d2]
I = Ideal(g1, g2, g3, g4)
S = R.quotient_Rig(I)
X = SpecS
S.is_empty()
Figure 4: A SAGE script for testing the non-emptiness of the moduli space of quadrics over 4\mathds{CP}^{4}.