Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userEnhancing Quantum Annealing Performance for the Molecular Similarity Problem
58
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Quantum annealing is a promising technique which leverages quantum mechanics to solve hard optimization problems. Considerable progress has been made in the development of a physical quantum annealer, motivating the study of methods to enhance the efficiency of such a solver. In this work, we present a quantum annealing approach to measure similarity among molecular structures. Implementing real-world problems on a quantum annealer is challenging due to hardware limitations such as sparse connectivity, intrinsic control error, and limited precision. In order to overcome the limited connectivity, a problem must be reformulated using minor-embedding techniques. Using a real data set, we investigate the performance of a quantum annealer in solving the molecular similarity problem. We provide experimental evidence that common practices for embedding can be replaced by new alternatives which mitigate some of the hardware limitations and enhance its performance. Common practices for embedding include minimizing either the number of qubits or the chain length, and determining the strength of ferromagnetic couplers empirically. We show that current criteria for selecting an embedding do not improve the hardwares performance for the molecular similarity problem. Furthermore, we use a theoretical approach to determine the strength of ferromagnetic couplers. Such an approach removes the computational burden of the current empirical approaches, and also results in hardware solutions that can benefit from simple local classical improvement. Although our results are limited to the problems considered here, they can be generalized to guide future benchmarking studies.
rate research
Read More
In this report, we present an unsupervised machine learning method for determining groups of molecular systems according to similarity in their dynamics or structures using Wards minimum variance objective function. We first apply the minimum variance clustering to a set of simulated tripeptides using the information theoretic Jensen-Shannon divergence between Markovian transition matrices in order to gain insight into how point mutations affect protein dynamics. Then, we extend the method to partition two chemoinformatic datasets according to structural similarity to motivate a train/validation/test split for supervised learning that avoids overfitting.
Classical models with complex energy landscapes represent a perspective avenue for the near-term application of quantum simulators. Until now, many theoretical works studied the performance of quantum algorithms for models with a unique ground state. However, when the classical problem is in a so-called clustering phase, the ground state manifold is highly degenerate. As an example, we consider a 3-XORSAT model defined on simple hypergraphs. The degeneracy of classical ground state manifold translates into the emergence of an extensive number of $Z_2$ symmetries, which remain intact even in the presence of a quantum transverse magnetic field. We establish a general duality approach that restricts the quantum problem to a given sector of conserved $Z_2$ charges and use it to study how the outcome of the quantum adiabatic algorithm depends on the hypergraph geometry. We show that the tree hypergraph which corresponds to a classically solvable instance of the 3-XORSAT problem features a constant gap, whereas the closed hypergraph encounters a second-order phase transition with a gap vanishing as a power-law in the problem size. The duality developed in this work provides a practical tool for studies of quantum models with classically degenerate energy manifold and reveals potential connections between glasses and gauge theories.
New annealing schedules for quantum annealing are proposed based on the adiabatic theorem. These schedules exhibit faster decrease of the excitation probability than a linear schedule. To derive this conclusion, the asymptotic form of the excitation probability for quantum annealing is explicitly obtained in the limit of long annealing time. Its first-order term, which is inversely proportional to the square of the annealing time, is shown to be determined only by the information at the initial and final times. Our annealing schedules make it possible to drop this term, thus leading to a higher order (smaller) excitation probability. We verify these results by solving numerically the time-dependent Schrodinger equation for small size systems
We propose a novel hybrid quantum-classical approach to calculate Graver bases, which have the potential to solve a variety of hard linear and non-linear integer programs, as they form a test set (optimality certificate) with very appealing properties. The calculation of Graver bases is exponentially hard (in general) on classical computers, so they not used for solving practical problems on commercial solvers. With a quantum annealer, however, it may be a viable approach to use them. We test two hybrid quantum-classical algorithms (on D-Wave)--one for computing Graver basis and a second for optimizing non-linear integer programs that utilize Graver bases--to understand the strengths and limitations of the practical quantum annealers available today. Our experiments suggest that with a modest increase in coupler precision--along with near-term improvements in the number of qubits and connectivity (density of hardware graph) that are expected--the ability to outperform classical best-in-class algorithms is within reach, with respect to non-linear integer optimization.
While quantum accelerometers sense with extremely low drift and low bias, their practical sensing capabilities face two limitations compared with classical accelerometers: a lower sample rate due to cold atom interrogation time, and a reduced dynamic range due to signal phase wrapping. In this paper, we propose a maximum likelihood probabilistic data fusion method, under which the actual phase of the quantum accelerometer can be unwrapped by fusing it with the output of a classical accelerometer on the platform. Consequently, the proposed method enables quantum accelerometers to be applied in practical inertial navigation scenarios with enhanced performance. The recovered measurement from the quantum accelerometer is also used to re-calibrate the classical accelerometer. We demonstrate the enhanced error performance achieved by the proposed fusion method using a simulated 1D inertial navigation scenario. We conclude with a discussion on fusion error and potential solutions.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
