Farhad Ramezanghorbani

Peter St. John, Dejun Lin, Polina Binder et al.

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.

David R. Wessels, Farhad Ramezanghorbani, David W. Romero et al.

Subquadratic alternatives to attention require compromises when applied to multi-dimensional data: standard convolutions lack global receptive fields and input dependency, while recurrent models require rasterizing data such as images, volumes, and partial differential equation (PDE) into an ad-hoc $1\rm D$ scan order that violates their spatial structure. We introduce \textit{HyenaND}, a subquadratic, global, input-dependent operator that acts directly on the native geometry of multidimensional data through convolutions with implicitly parametrized global, input-dependent multi-dimensional convolutional kernels. Our CUDA implementation, \texttt{nSubQ}, fuses the FFT-convolution path to turn HyenaND's $\mathcal{O}(L \log L)$ scaling into wall-clock speedups. Across long-context genomics, computer vision, medical imaging, and PDE modeling, pure HyenaND stacks match the accuracy of strong attention baselines, while hybrid configurations that interleave HyenaND and attention layers outperform both pure attention and strong recurrence-based hybrids.