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Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modelling of such systems.…

Simulations based on particle methods, such as Smoothed Particle Hydrodynamics (SPH), are known to be computationally demanding. While such methods have for long been executed in parallel on multi-core CPUs, in recent years the increasing…

The growing demand for multi-DNN workloads with unpredictable task arrival times has highlighted the need for interruptible scheduling on edge accelerators. However, existing preemptive frameworks typically assume known task arrival times…

A quantum annealer exploits quantum effects to solve a particular type of optimization problem. The advantage of this specialized hardware is that it effectively considers all possible solutions in parallel, thereby potentially…

Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting…

We present a parallel solver for numerical constraint satisfaction problems (NCSPs) that can scale on a number of cores. Our proposed method runs worker solvers on the available cores and simultaneously the workers cooperate for the search…

This paper presents a large-scale parallel solver, specifically designed to tackle the challenges of solving high-dimensional and high-contrast linear systems in heat transfer topology optimization. The solver incorporates an interpolation…

Fault tolerance overhead of high performance computing (HPC) applications is becoming critical to the efficient utilization of HPC systems at large scale. HPC applications typically tolerate fail-stop failures by checkpointing. Another…

Multi-threaded programs are expected to improve responsiveness and conserve resources by dividing an application process into multiple threads for concurrent processing. However, due to scheduling and the interaction of multiple threads,…

This paper addresses a multi-label predictive fault classification problem for multidimensional time-series data. While fault (event) detection problems have been thoroughly studied in literature, most of the state-of-the-art techniques…

Particle accelerators are among the largest, most complex devices. To meet the challenges of increasing energy, intensity, accuracy, compactness, complexity and efficiency, increasingly sophisticated computational tools are required for…

Although recent scaling up approaches to training deep neural networks have proven to be effective, the computational intensity of large and complex models, as well as the availability of large-scale datasets, require deep learning…

Multi-label classification (MLC) is an important class of machine learning problems that come with a wide spectrum of applications, each demanding a possibly different evaluation criterion. When solving the MLC problems, we generally expect…

A parallel computer system is a collection of processing elements that communicate and cooperate to solve large computational problems efficiently. To achieve this, at first the large computational problem is partitioned into several tasks…

Control parallelism and data parallelism is mostly reasoned and optimized as separate functions. Because of this, workloads that are irregular, fine-grain and dynamic such as dynamic graph processing become very hard to scale. An…

High-dimensional multiplex graphs are characterized by their high number of complementary and divergent dimensions. The existence of multiple hierarchical latent relations between the graph dimensions poses significant challenges to…

Modern machine learning workloads use large models, with complex structures, that are very expensive to execute. The devices that execute complex models are becoming increasingly heterogeneous as we see a flourishing of domain-specific…

This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…

With the wide penetration of smart robots in multifarious fields, Simultaneous Localization and Mapping (SLAM) technique in robotics has attracted growing attention in the community. Yet collaborating SLAM over multiple robots still remains…

Molecular dynamics is widely used to study various phenomena, such as diffusion, shock wave propagation, and plasma dynamics. A wide range of software packages supports the expanding scope of molecular dynamics applications. However, the…