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Alejandro Chacon

Publications and source records attributed to Alejandro Chacon.

2 recordsLinked to original sources

gpuPairHMM: High-speed Pair-HMM Forward Algorithm for DNA Variant Calling on GPUs

The continually increasing volume of DNA sequence data has resulted in a growing demand for fast implementations of core algorithms. Computation of pairwise alignments between candidate haplotypes and sequencing reads using Pair-HMMs is a key component in DNA variant calling tools such as the GATK HaplotypeCaller but can be highly time consuming due to its quadratic time complexity and the large number of pairs to be aligned. Unfortunately, previous approaches to accelerate this task using the massively parallel processing capabilities of modern GPUs are limited by inefficient memory access schemes. This established the need for significantly faster solutions. We address this need by presenting gpuPairHMM -- a novel GPU-based parallelization scheme for the dynamic-programming based Pair-HMM forward algorithm based on wavefronts and warp-shuffles. It gains efficiency by minimizing both memory accesses and instructions. We show that our approach achieves close-to-peak performance on several generations of modern CUDA-enabled GPUs (Volta, Ampere, Ada, Hopper). It also outperforms prior implementations on GPUs, CPUs, and FPGAs by a factor of at least 8.6, 10.4, and 14.5, respectively. gpuPairHMM is publicly available at https://github.com/asbschmidt/gpuPairHMM.

cs.DC

BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery

Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language models (pLM) training on hundreds of graphical processing units (GPUs). We introduce the BioNeMo Framework to facilitate the training of computational biology and chemistry AI models across hundreds of GPUs. Its modular design allows the integration of individual components, such as data loaders, into existing workflows and is open to community contributions. We detail technical features of the BioNeMo Framework through use cases such as pLM pre-training and fine-tuning. On 256 NVIDIA A100s, BioNeMo Framework trains a three billion parameter BERT-based pLM on over one trillion tokens in 4.2 days. The BioNeMo Framework is open-source and free for everyone to use.

cs.LG