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This report presents the implementation of a protein sequence comparison algorithm specifically designed for speeding up time consuming part on parallel hardware such as SSE instructions, multicore architectures or graphic boards. Three…
Enzymes and proteins are live driven biochemicals, which has a dramatic impact over the environment, in which it is active. So, therefore, it is highly looked-for to build such a robust and highly accurate automatic and computational model…
We describe a combination of all-atom simulations with CABS, a well-established coarse-grained protein modeling tool, into a single multiscale protocol. The simulation method has been tested on the C-terminal beta hairpin of protein G, a…
We present a data-parallel software package for fitting Gaussian Approximation Potentials (GAPs) on multiple nodes using the ScaLAPACK library with MPI and OpenMP. Until now the maximum training set size for GAP models has been limited by…
Classification in the dissimilarity space has become a very active research area since it provides a possibility to learn from data given in the form of pairwise non-metric dissimilarities, which otherwise would be difficult to cope with.…
The surge in availability of genomic data holds promise for enabling determination of genetic causes of observed individual traits, with applications to problems such as discovery of the genetic roots of phenotypes, be they molecular…
Similar to algorithms, which consume time and memory to run, hardware requires resources to function. For devices processing physical waves, implementing operations needs sufficient "space," as dictated by wave physics. How much space is…
De novo assembly enables investigations of unknown genomes, paving the way for personalized medicine and disease management. However, it faces immense computational challenges arising from the excessive data volumes and algorithmic…
In this work, we present HiAER-Spike, a modular, reconfigurable, event-driven neuromorphic computing platform designed to execute large spiking neural networks with up to 160 million neurons and 40 billion synapses - roughly twice the…
Identifying similar protein sequences is a core step in many computational biology pipelines such as detection of homologous protein sequences, generation of similarity protein graphs for downstream analysis, functional annotation and gene…
The Internet of Things (IoT) makes use of ubiquitous internet connectivity to form a network of everyday physical objects for purposes of automation, remote data sensing and centralized management/control. IoT objects need to be embedded…
The rising use of deep learning and other big-data algorithms has led to an increasing demand for hardware platforms that are computationally powerful, yet energy-efficient. Due to the amount of data parallelism in these algorithms,…
As an important application of spatial databases in pathology imaging analysis, cross-comparing the spatial boundaries of a huge amount of segmented micro-anatomic objects demands extremely data- and compute-intensive operations, requiring…
Soft robots promise inherent safety via their material compliance for seamless interactions with humans or delicate environments. Yet, their development is challenging because it requires integrating materials, geometry, actuation, and…
Query co-processing on graphics processors (GPUs) has become an effective means to improve the performance of main memory databases. However, the relatively low bandwidth and high latency of the PCI-e bus are usually bottleneck issues for…
Optical computing has been recently proposed as a new compute paradigm to meet the demands of future AI/ML workloads in datacenters and supercomputers. However, proposed implementations so far suffer from lack of scalability, large…
As quantum computers continue to improve and support larger, more complex computations, smart control hardware and compilers are needed to efficiently leverage the capabilities of these systems. This paper introduces a novel approach to…
As AI-enabled software systems become more prevalent in smart manufacturing, their role shifts from a reactive to a proactive one that provides context-specific support to machine operators. In the context of an international research…
A core problem in hardware-software codesign is in the sheer size of the design space. Without a set ISA to constrain the hardware-software interface, the design space explodes. This work presents a strategy for managing the massive…
The energy-efficient Adapteva Epiphany architecture exhibits massive many-core scalability in a physically compact 2D array of RISC cores with a fast network-on-chip (NoC). The architecture presents many features and constraints which…