arXiv subjects

Stefan Woerner

Publications and source records attributed to Stefan Woerner.

60 records · Page 4Linked to original sources

arXiv2019

Resource-Efficient Quantum Algorithm for Protein Folding

Predicting the three-dimensional (3D) structure of a protein from its primary sequence of amino acids is known as the protein folding (PF) problem. Due to the central role of proteins' 3D structures in chemistry, biology and medicine applications (e.g., in drug discovery) this subject has been intensively studied for over half a century. Although classical algorithms provide practical solutions, sampling the conformation space of small proteins, they cannot tackle the intrinsic NP-hard complexity of the problem, even reduced to its simplest Hydrophobic-Polar model. While fault-tolerant quantum computers are still beyond reach for state-of-the-art quantum technologies, there is evidence that quantum algorithms can be successfully used on Noisy Intermediate-Scale Quantum (NISQ) computers to accelerate energy optimization in frustrated systems. In this work, we present a model Hamiltonian with $\mathcal{O}(N^4)$ scaling and a corresponding quantum variational algorithm for the folding of a polymer chain with $N$ monomers on a tetrahedral lattice. The model reflects many physico-chemical properties of the protein, reducing the gap between coarse-grained representations and mere lattice models. We use a robust and versatile optimisation scheme, bringing together variational quantum algorithms specifically adapted to classical cost functions and evolutionary strategies (genetic algorithms), to simulate the folding of the 10 amino acid Angiotensin peptide on 22 qubits. The same method is also successfully applied to the study of the folding of a 7 amino acid neuropeptide using 9 qubits on an IBM Q 20-qubit quantum computer. Bringing together recent advances in building gate-based quantum computers with noise-tolerant hybrid quantum-classical algorithms, this work paves the way towards accessible and relevant scientific experiments on real quantum processors.

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arXiv2019

Credit Risk Analysis using Quantum Computers

We present and analyze a quantum algorithm to estimate credit risk more efficiently than Monte Carlo simulations can do on classical computers. More precisely, we estimate the economic capital requirement, i.e. the difference between the Value at Risk and the expected value of a given loss distribution. The economic capital requirement is an important risk metric because it summarizes the amount of capital required to remain solvent at a given confidence level. We implement this problem for a realistic loss distribution and analyze its scaling to a realistic problem size. In particular, we provide estimates of the total number of required qubits, the expected circuit depth, and how this translates into an expected runtime under reasonable assumptions on future fault-tolerant quantum hardware.

quant-ph↗

arXiv2018

Gate-efficient simulation of molecular eigenstates on a quantum computer

A key requirement to perform simulations of large quantum systems on near-term quantum hardware is the design of quantum algorithms with short circuit depth that finish within the available coherence time. A way to stay within the limits of coherence is to reduce the number of gates by implementing a gate set that matches the requirements of the specific algorithm of interest directly in hardware. Here, we show that exchange-type gates are a promising choice for simulating molecular eigenstates on near-term quantum devices since these gates preserve the number of excitations in the system. Complementing the theoretical work by Barkoutsos et al. [PRA 98, 022322 (2018)], we report on the experimental implementation of a variational algorithm on a superconducting qubit platform to compute the eigenstate energies of molecular hydrogen. We utilize a parametrically driven tunable coupler to realize exchange-type gates that are configurable in amplitude and phase on two fixed-frequency superconducting qubits. With gate fidelities around 95% we are able to compute the eigenstates within an accuracy of 50 mHartree on average, a limit set by the coherence time of the tunable coupler.

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arXiv2018

Unlocking the Potential of Flexible Energy Resources to Help Balance the Power Grid

Flexible energy resources can help balance the power grid by providing different types of ancillary services. However, the balancing potential of most types of resources is restricted by physical constraints such as the size of their energy buffer, limits on power-ramp rates, or control delays. Using the example of Secondary Frequency Regulation, this paper shows how the flexibility of various resources can be exploited more efficiently by considering multiple resources with complementary physical properties and controlling them in a coordinated way. To this end, optimal adjustable control policies are computed based on robust optimization. Our problem formulation takes into account power ramp-rate constraints explicitly, and accurately models the different timescales and lead times of the energy and reserve markets. Simulations demonstrate that aggregations of select resources can offer significantly more regulation capacity than the resources could provide individually.

eess.SY↗

arXiv2018

Quantum Risk Analysis

We present a quantum algorithm that analyzes risk more efficiently than Monte Carlo simulations traditionally used on classical computers. We employ quantum amplitude estimation to evaluate risk measures such as Value at Risk and Conditional Value at Risk on a gate-based quantum computer. Additionally, we show how to implement this algorithm and how to trade off the convergence rate of the algorithm and the circuit depth. The shortest possible circuit depth - growing polynomially in the number of qubits representing the uncertainty - leads to a convergence rate of $O(M^{-2/3})$. This is already faster than classical Monte Carlo simulations which converge at a rate of $O(M^{-1/2})$. If we allow the circuit depth to grow faster, but still polynomially, the convergence rate quickly approaches the optimum of $O(M^{-1})$. Thus, for slowly increasing circuit depths our algorithm provides a near quadratic speed-up compared to Monte Carlo methods. We demonstrate our algorithm using two toy models. In the first model we use real hardware, such as the IBM Q Experience, to measure the financial risk in a Treasury-bill (T-bill) faced by a possible interest rate increase. In the second model, we simulate our algorithm to illustrate how a quantum computer can determine financial risk for a two-asset portfolio made up of Government debt with different maturity dates. Both models confirm the improved convergence rate over Monte Carlo methods. Using simulations, we also evaluate the impact of cross-talk and energy relaxation errors.

quant-ph↗

arXiv2018

Ramp-Rate-Constrained Bidding of Energy and Frequency Reserves in Real Market Settings

The energetic flexibility of electric energy resources can be exploited when trading on wholesale energy and ancillary service markets. This paper considers the problem of a Balance Responsible Party to maximize its profit from trading on energy markets while simultaneously offering Secondary Frequency Reserves to the System Operator. However, the accurate provision of regulation power can be compromised by power ramp-rate limitations of the resources providing the service. To avoid this shortcoming, we take power ramp-rate constraints into account explicitly when computing optimal adjustable energy trading policies that are robust against uncertain activation of reserves. The approach proposed is applicable in real market settings because it models all the different timescales of the day-ahead, intra-day, and reserve markets. Finally, the effect of different market settings and energy trading policies on the amount of available Secondary Frequency Reserves is investigated.

eess.SY↗