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Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…
Many optimization problems in engineering and industrial design applications can be formulated as optimization problems with highly nonlinear objectives, subject to multiple complex constraints. Solving such optimization problems requires…
Heterogeneous computing integrates diverse processing elements, such as CPUs, GPUs, and FPGAs, within a single system, aiming to leverage the strengths of each architecture to optimize performance and energy consumption. In this context,…
Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms…
Hardware accelerators, such as those based on GPUs and FPGAs, offer an excellent opportunity to efficiently parallelize functionalities. Recently, modern embedded platforms started being equipped with such accelerators, resulting in a…
This manuscript introduces an autotuned algorithm for searching nearest neighbors based on neighbor graphs and optimization metaheuristics to produce Pareto-optimal searches for quality and search speed automatically; the same strategy is…
In this paper, we propose a novel framework to automatically utilize task-dependent semantic information which is encoded in heterogeneous information networks (HINs). Specifically, we search for a meta graph, which can capture more complex…
Heterogeneous computing systems, which combine general-purpose processors with specialized accelerators, are increasingly important for optimizing the performance of modern applications. A central challenge is to decide which parts of an…
Meta-structures are widely used to define which subset of neighbors to aggregate information in heterogeneous information networks (HINs). In this work, we investigate existing meta-structures, including meta-path and meta-graph, and…
We explore the use of the Cell Broadband Engine (Cell/BE for short) for combinatorial optimization applications: we present a parallel version of a constraint-based local search algorithm that has been implemented on a multiprocessor…
Metaheuristic algorithms such as particle swarm optimization, firefly algorithm and harmony search are now becoming powerful methods for solving many tough optimization problems. In this paper, we propose a new metaheuristic method, the Bat…
We describe, study, and experiment with an algorithm for finding all solutions of systems of polynomial equations using homotopy continuation and monodromy. This algorithm follows a framework developed in previous work and can operate in…
Efficient implementations of parallel applications on heterogeneous hybrid architectures require a careful balance between computations and communications with accelerator devices. Even if most of the communication time can be overlapped by…
This paper studies the joint user association and resource allocation in heterogeneous networks (HetNets) from a novel perspective, motivated by and generalizing the idea of fractional frequency reuse. By treating the multi-cell multi-user…
We present a framework for a large-scale distributed eScience Artificial Intelligence search. Our approach is generic and can be used for many different problems. Unlike many other approaches, we do not require dedicated machines,…
A novel approach is presented for the solution of instantaneous chemical equilibrium problems. The chemical equilibrium can be considered, due to its intrinsically local character, as a mapping of the three-dimensional parameter space…
Heterogeneous network (HetNet) has been proposed as a promising solution for handling the wireless traffic explosion in future fifth-generation (5G) system. In this paper, a joint subchannel and power allocation problem is formulated for…
An algorithm is discussed for converting a class of recursive processes to a parallel system. It is argued that this algorithm can be superior to certain methods currently found in the literature for an important subset of problems. The…
The fast and affordable sequencing of large clinical and environmental metagenomic datasets opens up new horizons in medical and biotechnological applications. It is believed that today we have described only about 1\% of the microorganisms…
Unstructured meshes present challenges in scientific data analysis due to irregular distribution and complex connectivity. Computing and storing connectivity information is a major bottleneck for visualization algorithms, affecting both…