相关论文: Finding Optimal Pathways in Chemical Reaction Netw…
For a theoretical understanding of the reactivity of complex chemical systems, relative energies of stationary points on potential energy hypersurfaces need to be calculated to high accuracy. Due to the large number of intermediates present…
Coherent Ising Machines (CIMs) have emerged as a hybrid form of quantum computing devices designed to solve NP-complete problems, offering an exciting opportunity for discovering optimal solutions. Despite challenges such as susceptibility…
We introduce a methodology for generating benchmark problem sets for Ising machines---devices designed to solve discrete optimization problems cast as Ising models. In our approach, linear systems of equations are cast as Ising cost…
Ising machines are hardware solvers which aim to find the absolute or approximate ground states of the Ising model. The Ising model is of fundamental computational interest because it is possible to formulate any problem in the complexity…
Computer-assisted synthesis planning aims to help chemists find better reaction pathways faster. Finding viable and short pathways from sugar molecules to value-added chemicals can be modeled as a retrosynthesis planning problem with a…
Optimization techniques are frequently applied in science and engineering research and development. Evolutionary algorithms, as a kind of general-purpose metaheuristic, have been shown to be very effective in solving a wide range of…
Quantum annealers, coherent Ising machines and digital Ising machines for solving quantum-inspired optimization problems have been developing rapidly due to their near-term applications. The numerical solvers of the digital Ising machines…
Multi-objective combinatorial optimization in wireless communication networks is a challenging task, particularly for large-scale and diverse topologies. Recent advances in quantum computing offer promising solutions for such problems.…
Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…
Estimating causal interactions in complex dynamical systems is an important problem encountered in many fields of current science. While a theoretical solution for detecting the causal interactions has been previously formulated in the…
In this article, we show how to map a sampling of the hardest artificial intelligence problems in space exploration onto equivalent Ising models that then can be attacked using quantum annealing implemented in D-Wave machine. We overview…
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…
The Coherent Ising Machine (CIM) is a quantum network of optical parametric oscillators (OPOs) intended to find ground states of the Ising model. This is an NP-hard problem, related to several important minimization problems, including the…
In this thesis, we focus on the problem of validating and benchmarking quantum annealers. To this end, we propose two algorithms for solving real-world problems and test how they perform on the current generation of quantum annealers. The…
As we approach the physical limits predicted by Moore's law, a variety of specialized hardware is emerging to tackle specialized tasks in different domains. Within combinatorial optimization, adiabatic quantum computers, CMOS annealers, and…
A linear-time algorithm is presented for the construction of the Gibbs distribution of configurations in the Ising model, on a quantum computer. The algorithm is designed so that each run provides one configuration with a quantum…
The recent emergence of novel computational devices, such as quantum computers, coherent Ising machines, and digital annealers presents new opportunities for hardware-accelerated hybrid optimization algorithms. Unfortunately, demonstrations…
Motivated by near term quantum computing hardware limitations, combinatorial optimization problems that can be addressed by current quantum algorithms and noisy hardware with little or no overhead are used to probe capabilities of quantum…
Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…
A spatial photonic Ising machine (SPIM) handles large-scale combinatorial optimization problems owing to optical processing with spatial parallelism. However, iterative feedback in the search for optimal solutions limits processing speed…