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In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Clusters of galaxies are the most massive objects in the Universe and mapping their location is an important astronomical problem. This paper describes an algorithm (based on statistical signal processing methods), a software architecture…
Space-filling curves (SFC, also known as FASS-curves) are a useful tool in scientific computing and other areas of computer science to sequentialize multidimensional grids in a cache-efficient and parallelization-friendly way for storage in…
Multi-swarm particle optimisation algorithms are gaining popularity due to their ability to locate multiple optimum points concurrently. In this family of algorithms, clustering-based multi-swarm algorithms are among the most effective…
This paper presents a feature level fusion approach which uses the improved K-medoids clustering algorithm and isomorphic graph for face and palmprint biometrics. Partitioning around medoids (PAM) algorithm is used to partition the set of n…
Federated Learning (FL) is a setting where multiple parties with distributed data collaborate in training a joint Machine Learning (ML) model while keeping all data local at the parties. Federated clustering is an area of research within FL…
The N-body problem is a classic problem involving a system of N discrete bodies mutually interacting in a dynamical system. At any moment in time there are N*(N - 1)/2 such interactions occurring. This scaling as N^2 leads to computational…
We present an application of Physics-Informed Neural Networks to handle MultiPhase-Field simulations of microstructure evolution. It has been showcased that a combination of optimization techniques extended and adapted from the PINNs…
We present a new algorithm to identify fragments in computer simulations of relativistic heavy ion collisions. It is based on the simulated annealing technique and can be applied to n-body transport models like the Quantum Molecular…
Astrophysical Challenges which demand the solution of the one million (or more) gravitating body problem are briefly discussed for the fields of cosmology, galactic nuclei and globular star clusters. Results from the classical three-body…
We propose a hybrid tree algorithm for reducing calculation and communication cost of collision-less N-body simulations. The concept of our algorithm is that we split interaction force into two parts: hard-force from neighbor particles and…
Clustering points in a vector space or nodes in a graph is a ubiquitous primitive in statistical data analysis, and it is commonly used for exploratory data analysis. In practice, it is often of interest to "refine" or "improve" a given…
We introduce a new code for cosmological simulations, PHoToNs, which has features on performing massive cosmological simulations on heterogeneous high performance Computer (HPC) and threads oriented programming. PHoToNs adopts a hybrid…
Cosmological large scale structure $N$-body simulations are computation-light, memory-heavy problems in supercomputing. The considerable amount of memory is usually dominated by an inefficient way of storing more than sufficient phase space…
In this paper, we introduce the Union-Intersection Union-Find (UIUF) algorithm for decoding depolarizing errors in topological codes, combining the strengths of iterative and standard Union-Find (UF) decoding. While iterative UF improves…
Feature selection is a process of choosing a subset of relevant features so that the quality of prediction models can be improved. An extensive body of work exists on information-theoretic feature selection, based on maximizing Mutual…
With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…
This work presents a novel variant of the Firefly Algorithm (FA) for data clustering, addressing limitations of traditional methods like K-Means that struggle with non-uniform cluster shapes, densities, and the need for pre-defining the…
In this article, a new method, called FWP, is proposed for clustering longitudinal curves. In the proposed method, clusters of mean functions are identified through a weighted concave pairwise fusion method. The EM algorithm and the…
The use of Euler-Lagrange methods on unstructured grids extends their application area to more versatile setups. However, the lack of a regular topology limits the scalability of distributed parallel methods, especially for routines that…