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Tristan Zaborniak

Publications and source records attributed to Tristan Zaborniak.

8 recordsLinked to original sources

Qubit-efficient and gate-efficient encodings of graph partitioning problems for quantum optimization

We introduce a qubit- and gate-efficient higher-order unconstrained binary optimization (HUBO) encoding for graph partitioning problems requiring label-count minimization. This widely applicable class of problems includes minimum graph coloring, minimum \textit{k}-cut, and community detection. To the best of our knowledge, this is the first work to address the optimization versions of these problems in a quantum setting, rather than only their decision counterparts. Our construction encodes each vertex variable in a number of bits logarithmic in the number of available labels---the information-theoretic minimum---and employs a novel lexicographic penalty system that implicitly minimizes partition count without requiring dedicated indicator variables. We derive provably sufficient conditions on all penalty coefficients, including those arising from Rosenberg quadratization, guaranteeing feasibility and optimality of the lowest-energy solution. Analogous conditions are derived for a one-hot encoding to enable controlled comparison. We also show that our encoding reduces two-qubit gate count per layer of the quantum approximate optimization algorithm (QAOA). Benchmarking on a quantum annealer demonstrates that our logarithmic encoding greatly improves solution quality and time-to-solution for minimum graph coloring relative to one-hot encoding, with greater advantage as problem size increases.

quant-ph↗

Playing Dice with the Universe: Programming Quantum Computers to Play Traditional Games

The challenge of programming classical computers to play traditional, competitive games against human players has helped to advance classical hardware and software. Quantum computers have the potential to play games in a unique way: programmed \textit{only} with the rules of a game, they should be able to implicitly represent all future paths of a game leading to wins, losses, or draws, and to sample from this path set to identify moves that maximize the likelihood of a win. This permits skilled play without hard-coded or machine-learned strategy. As a proof of principle, we present early results obtained after programming the D-Wave quantum annealer with the rules of tic-tac-toe, enabling it to play against a human or classical computer opponent. We anticipate that, as it has for classical computers, game-playing will serve as an important real-world benchmark for quantum computers.

cs.ET↗

Truncated-Binary Encoding: Spectral Degree Reduction of Combinatorial Optimization Problems for Quantum Hardware

Exact-binary encoding compiles a discrete cost function network (CFN) into a higher-order unconstrained binary optimization (HUBO) problem whose maximum monomial degree grows with the cardinalities of the underlying CFN variables. Given that quantum optimization hardware generally favours quadratic unconstrained binary optimization or low-degree HUBO Hamiltonians, high-cardinality CFNs therefore incur substantial overhead in the form of circuit depth, or ancilla qubits when degree-reduction techniques are employed. To ameliorate these issues, we propose \textit{truncated-binary encoding} (TBE): a modification of exact-binary encoding in which Ising-basis monomials exceeding a chosen cutoff $k_\text{max}$ are dropped from the encoded cost. We establish a tight $L^\infty$ bound on the truncation error in terms of the omitted couplings, derive sufficient conditions on the energy gap and on the single bit-flip basin barrier under which TBE preserves the global minimum and its local-minimum structure, and characterize a noise floor condition on the spectral profile under which the truncation residual acts as a perturbative correction to the underlying landscape. We then express the encoded coefficients directly as Walsh transforms of the underlying CFN cost tables, and prove a bound under which smoothness of each cost table implies rapid decay of its high-degree Walsh mass. Together these results yield a principled \textit{a priori} criterion for selecting $k_\text{max}$ and for judging whether a given CFN admits a small-$k_\text{max}$ TBE.

quant-ph↗

Quantum Injection Pathways for Implicit Graph Neural Networks

Deep Equilibrium Models (DEQs) replace a stack of explicit layers with a single operator whose fixed point defines the output, giving the expressive power of an arbitrarily deep network at the memory cost of a single layer. Quantum Deep Equilibrium Models (QDEQs) bring this idea to quantum machine learning, offering an alternative to Parameterized Quantum Circuits (PQCs), whose depth is limited by hardware coherence and trainability. Here, we introduce, formulate, and compare three ways of coupling a quantum signal to graph DEQs, differing in where the signal enters the fixed-point operator. \textit{Independent} injection computes the quantum signal once per graph and forward fixed-point solve, and holds it fixed throughout the solve. \textit{State-dependent} injection instead recomputes the signal at every solver step and applies it to the current iterate. \textit{Backbone-dependent} injection likewise recomputes at every iteration but applies the signal to the classical backbone's output evaluated at the current iterate. We establish contraction guarantees for each variant under explicit assumptions on the Lipschitz constants of the classical backbone and the quantum signal. On the TU Dortmund graph-classification benchmarks NCI1, PROTEINS, and MUTAG, independent injection achieves the best test accuracy while using fewer forward-solver iterations than both the classical equilibrium baseline and the two dependent variants.

quant-ph↗

Discrete quadratic model QUBO solution landscapes

Many computational problems involve optimization over discrete variables with quadratic interactions. Known as discrete quadratic models (DQMs), these problems in general are NP-hard. Accordingly, there is increasing interest in encoding DQMs as quadratic unconstrained binary optimization (QUBO) models to allow their solution by quantum and quantum-inspired hardware with architectures and solution methods designed specifically for such problem types. However, converting DQMs to QUBO models often introduces invalid solutions to the solution space of the QUBO models. These solutions must be penalized by introducing appropriate constraints to the QUBO objective function that are weighted by a tunable penalty parameter to ensure that the global optimum is valid. However, selecting the strength of this parameter is non-trivial, given its influence on solution landscape structure. Here, we investigate the effects of choice of encoding and penalty strength on the structure of QUBO DQM solution landscapes and their optimization, focusing specifically on one-hot and domain-wall encodings.

quant-ph↗

Multibody molecular docking on a quantum annealer

Molecular docking, which aims to find the most stable interacting configuration of a set of molecules, is of critical importance to drug discovery. Although a considerable number of classical algorithms have been developed to carry out molecular docking, most focus on the limiting case of docking two molecules. Since the number of possible configurations of N molecules is exponential in N, those exceptions which permit docking of more than two molecules scale poorly, requiring exponential resources to find high-quality solutions. Here, we introduce a one-hot encoded quadratic unconstrained binary optimization formulation (QUBO) of the multibody molecular docking problem, which is suitable for solution by quantum annealer. Our approach involves a classical pre-computation of pairwise interactions, which scales only quadratically in the number of bodies while permitting well-vetted scoring functions like the Rosetta REF2015 energy function to be used. In a second step, we use the quantum annealer to sample low-energy docked configurations efficiently, considering all possible docked configurations simultaneously through quantum superposition. We show that we are able to minimize the time needed to find diverse low-energy docked configurations by tuning the strength of the penalty used to enforce the one-hot encoding, demonstrating a 3-4 fold improvement in solution quality and diversity over performance achieved with conventional penalty strengths. By mapping the configurational search to a form compatible with current- and future-generation quantum annealers, this work provides an alternative means of solving multibody docking problems that may prove to have performance advantages for large problems, potentially circumventing the exponential scaling of classical approaches and permitting a much more efficient solution to a problem central to drug discovery and validation pipelines.

q-bio.BM↗

A QUBO model of the RNA folding problem optimized by variational hybrid quantum annealing

RNAs self-interact through hydrogen-bond base-pairing between nucleotides and fold into specific, stable structures that substantially govern their biochemical behaviour. Experimental characterization of these structures remains difficult, hence the desire to predict them computationally from sequence information. However, correctly predicting even the base pairs involved in the folded structure of an RNA, known as secondary structure, from its sequence using minimum free energy models is understood to be NP-hard. Classical approaches rely on heuristics or avoid considering pseudoknots in order to render this problem more tractable, with the cost of inexactness or excluding an entire class of important RNA structures. Given their prospective and demonstrable advantages in certain domains, including combinatorial optimization, quantum computing approaches by contrast have the potential to compute the full RNA folding problem while remaining more feasible and exact. Herein, we present a physically-motivated QUBO model of the RNA folding problem amenable to both quantum annealers and circuit-model quantum computers and compare the performance of this formulation versus current RNA folding QUBOs after tuning the parameters of all against known RNA structures using an approach we call "variational hybrid quantum annealing".

quant-ph↗

Benchmarking Hamiltonian Noise in the D-Wave Quantum Annealer

Various sources of noise limit the performance of quantum computers by altering qubit states in an uncontrolled manner throughout computations and reducing their coherence time. In quantum annealers, this noise introduces additional fluctuations to the parameters defining the original problem Hamiltonian, such that they find the ground states of problems perturbed from those originally programmed. Here we describe a method to benchmark the amount of noise affecting the programmed Hamiltonian of a quantum annealer. We show that a sequence of degenerate runs with the coefficients of the programmed Hamiltonian set to zero leads to an estimate of the noise spectral density affecting Hamiltonian parameters "in situ" during the quantum annealing protocol. The method is demonstrated in D-Wave's lower noise 2000 qubit device (DW_2000Q_6) and in its recently released 5000 qubit device (Advantage_system1.1). Our benchmarking of DW_2000Q_6 shows Hamiltonian noise dominated by the $1/f^{0.7}$ frequency dependence characteristic of flux noise intrinsic to the materials forming flux qubits. In contrast, Advantage_system1.1 is found to be affected by additional noise sources for low annealing times, with underlying intrinsic flux noise amplitudes $2-3$ times higher than in DW_2000Q_6 for all annealing times.

quant-ph↗