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The Turing test for comparing computer performance to that of humans is well known, but, surprisingly, there is no widely used test for comparing how much better human-computer systems perform relative to humans alone, computers alone, or…
Recently DRAM-based PIMs (processing-in-memories) with unmodified cell arrays have demonstrated impressive performance for accelerating AI applications. However, due to the very restrictive hardware constraints, PIM remains an accelerator…
Background: The study of genome-scale metabolic models and their underlying networks is one of the most important fields in systems biology. The complexity of these models and their description makes the use of computational tools an…
Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…
We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…
The sheer number of nodes continues to increase in todays supercomputers, the first half of Trinity alone contains more than 9400 compute nodes. Since the speed of todays clusters are limited by the slowest nodes, it more important than…
With the recent advancements in artificial intelligence, researchers and industries are deploying gigantic models trained on billions of samples. While training these models consumes a huge amount of energy, human brains produce similar…
Numerical software is usually shipped with built-in hyperparameters. By carefully tuning those hyperparameters, significant performance enhancements can be achieved for specific applications. We developed MindOpt Tuner, a new automatic…
Profiling techniques are used extensively at different parts of the computing stack to achieve many goals. One major goal is to make a piece of software execute more efficiently on a specific hardware platform, where efficiency spans…
ABCpy is a highly modular scientific library for Approximate Bayesian Computation (ABC) written in Python. The main contribution of this paper is to document a software engineering effort that enables domain scientists to easily apply ABC…
Processing-in-memory (PIM) is a promising computing paradigm to tackle the "memory wall" challenge. However, PIM system-level benefits over traditional von Neumann architecture can be reduced when the memory array cannot fully store all the…
Over the past few decades, neuroscience experiments have become increasingly complex and naturalistic. Experimental design has in turn become more challenging, as experiments must conform to an ever-increasing diversity of design…
We show in this work that memory intensive computations can result in severe performance problems due to off-chip memory access and CPU-GPU context switch overheads in a wide range of deep learning models. For this problem, current…
Big science initiatives are trying to reconstruct and model the brain by attempting to simulate brain tissue at larger scales and with increasingly more biological detail than previously thought possible. The exponential growth of parallel…
Many useful tasks in data science and machine learning applications can be written as simple variations of matrix multiplication. However, users have difficulty performing such tasks as existing matrix/vector libraries support only a…
Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…
At many scales in neuroscience, appropriate mathematical models take the form of complex dynamical systems. Parametrising such models to conform to the multitude of available experimental constraints is a global nonlinear optimisation…
Practically everything computers do is better, faster, and more power-efficient than the brain. For example, a calculator performs numerical computations more energy-efficiently than any human. Yet modern AI models are a thousand times less…
The reproduction and replication of novel results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the issues closely revolve around the…
The emergence of R, a freely available data analysis environment, brought to the researcher in any science field a set of well-concerted instruments of immense power and low cost. In botany and zoology, these instruments could be used, for…