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Machine learning (ML) strategies are opening the door to faster computer simulations, allowing us to simulate more realistic colloidal systems. Since the interactions in colloidal systems are often highly many-body, stemming from e.g.…
Fitting parametric models of human bodies, hands or faces to sparse input signals in an accurate, robust, and fast manner has the promise of significantly improving immersion in AR and VR scenarios. A common first step in systems that…
Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…
Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cell interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on…
Power density constraints are limiting the performance improvements of modern CPUs. To address this we have seen the introduction of lower-power, multi-core processors such as GPGPU, ARM and Intel MIC. To stay within the power density…
An effective way to improve energy efficiency is to throttle hardware resources to meet a certain performance target, specified as a QoS constraint, associated with all applications running on a multicore system. Prior art has proposed…
Among the components contributing to particle transport, geometry navigation is an important consumer of CPU cycles. The tasks performed to get answers to "basic" queries such as locating a point within a geometry hierarchy or computing…
Anisotropic mesh adaptation is a powerful way to directly minimise the computational cost of mesh based simulation. It is particularly important for multi-scale problems where the required number of floating-point operations can be reduced…
Power density constraints are limiting the performance improvements of modern CPUs. To address this, we have seen the introduction of lower-power, multi-core processors, but the future will be even more exciting. In order to stay within the…
The exascale race is at an end with the announcement of the Aurora and Frontier machines. This next generation of supercomputers utilize diverse hardware architectures to achieve their compute performance, providing an added onus on the…
Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance…
Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…
Although code generation for Convolution Neural Network (CNN) models has been extensively studied, performing efficient data slicing and parallelization for highly-constrai\-ned Multicore Neural Processor Units (NPUs) is still a challenging…
Planning under uncertainty for real-world robotics tasks, such as autonomous driving, requires reasoning in enormous high-dimensional belief spaces, rendering the problem computationally intensive. While parallelization offers scalability,…
Modern processor architectures, in addition to having still more cores, also require still more consideration to memory-layout in order to run at full capacity. The usefulness of most languages is deprecating as their abstractions,…
Molecular dynamics simulations have been extensively used to predict thermal properties, but simulating different phases with similar precision using a unified force field is often difficult, due to the lack of accurate and transferrable…
Large-scale multi-modal deep learning models have revolutionized domains such as healthcare, highlighting the importance of computational power. However, in resource-constrained regions like Low and Middle-Income Countries (LMICs), limited…
Text-based Person Search (TPS), is targeted on retrieving pedestrians to match text descriptions instead of query images. Recent Vision-Language Pre-training (VLP) models can bring transferable knowledge to downstream TPS tasks, resulting…
Cyber-physical systems (CPS) integrate sensing, computing, communication and actuation capabilities to monitor and control operations in the physical environment. A key requirement of such systems is the need to provide predictable…