Related papers: Towards molecular docking with neutral atoms
Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…
Adiabatic quantum computing (AQC) started as an approach to solving optimization problems, and has evolved into an important universal alternative to the standard circuit model of quantum computing, with deep connections to both classical…
Protein interactions and assembly formation are fundamental to most biological processes. Predicting the assembly structure from constituent proteins -- referred to as the protein docking task -- is thus a crucial step in protein design…
Visual Question Answering (VQA) is a challenging problem that requires to process multimodal input. Answer-Set Programming (ASP) has shown great potential in this regard to add interpretability and explainability to modular VQA…
Quantum algorithms offer a compelling new avenue for addressing difficult NP-complete optimization problems, such as the Generalized Assignment Problem (GAP). Given the operational constraints of contemporary Noisy Intermediate-Scale…
Adiabatic quantum computation has recently attracted attention in the physics and computer science communities, but its computational power was unknown. We describe an efficient adiabatic simulation of any given quantum algorithm, which…
Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their…
Quantum adiabatic algorithm is a method of solving computational problems by evolving the ground state of a slowly varying Hamiltonian. The technique uses evolution of the ground state of a slowly varying Hamiltonian to reach the required…
We state a combinatorial optimization problem whose feasible solutions define both a decomposition and a node labeling of a given graph. This problem offers a common mathematical abstraction of seemingly unrelated computer vision tasks,…
Recent trends in the HPC field have introduced new CPU architectures with improved vectorization capabilities that require optimization to achieve peak performance and thus pose challenges for performance portability. The deployment of…
The design and performance of computer vision algorithms are greatly influenced by the hardware on which they are implemented. CPUs, multi-core CPUs, FPGAs and GPUs have inspired new algorithms and enabled existing ideas to be realized.…
An adiabatic quantum algorithm is essentially given by three elements: An initial Hamiltonian with known ground state, a problem Hamiltonian whose ground state corresponds to the solution of the given problem and an evolution schedule such…
We propose analog counterdiabatic quantum computing (ACQC) to tackle combinatorial optimization problems on neutral-atom quantum processors. While these devices allow for the use of hundreds of qubits, adiabatic quantum computing struggles…
Molecular docking is a central method in the computer-based screening of compound libraries as a part of the rational approach to drug design. Although the method has proved its competence in predicting binding modes correctly, its inherent…
Quantum annealers offer an efficient way to compute high quality solutions of NP-hard problems when expressed in a QUBO (quadratic unconstrained binary optimization) or an Ising form. This is done by mapping a problem onto the physical…
At present, several models for quantum computation have been proposed. Adiabatic quantum computation scheme particularly offers this possibility and is based on a slow enough time evolution of the system, where no transitions take place. In…
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…
We propose an adiabatic quantum algorithm for generating a quantum pure state encoding of the PageRank vector, the most widely used tool in ranking the relative importance of internet pages. We present extensive numerical simulations which…
The use of buried dopants to construct quantum-dot cellular automata is investigated as an alternative to conventional electronic devices for information transport and elementary computation. This provides a limit in terms of…
Quantum algorithms have the potential to provide exponential speedups over some of the best known classical algorithms. These speedups may enable quantum devices to solve currently intractable problems such as those in the fields of…