arXiv subjects

Xiaowei Ren

Publications and source records attributed to Xiaowei Ren.

6 recordsLinked to original sources

arXiv2026

Fold-CP: A Context Parallelism Framework for Biomolecular Modeling

Understanding cellular machinery requires atomic-scale reconstruction of large biomolecular assemblies. However, predicting the structures of these systems has been constrained by hardware memory requirements of models like AlphaFold 3, imposing a practical ceiling of a few thousand residues that can be processed on a single GPU. Here we present NVIDIA BioNeMo Fold-CP, a context parallelism framework that overcomes this barrier by distributing the inference and training pipelines of co-folding models across multiple GPUs. We use the Boltz models as open source reference architectures and implement custom multidimensional primitives that efficiently parallelize both the dense triangular updates and the irregular, data-dependent pattern of window-batched local attention. Our approach achieves efficient memory scaling; for an N-token input distributed across P GPUs, per-device memory scales as $O(N^2/P)$, enabling the structure prediction of assemblies exceeding 30,000 residues on 64 NVIDIA B300 GPUs. We demonstrate the scientific utility of this approach through successful developer use cases: Fold-CP enabled the scoring of over 90% of Comprehensive Resource of Mammalian protein complexes (CORUM) database, as well as folding of disease-relevant PI4KA lipid kinase complex bound to an intrinsically disordered region without cropping. By providing a scalable pathway for modeling massive systems with full global context, Fold-CP represents a significant step toward the realization of a virtual cell.

q-bio.QM↗

arXiv2026

Scalable Training of Mixture-of-Experts Models with Megatron Core

Scaling Mixture-of-Experts (MoE) training introduces systems challenges absent in dense models. Because each token activates only a subset of experts, this sparsity allows total parameters to grow much faster than per-token computation, creating coupled constraints across memory, communication, and computation. Optimizing one dimension often shifts pressure to another, demanding co-design across the full system stack. We address these challenges for MoE training through integrated optimizations spanning memory (fine-grained recomputation, offloading, etc.), communication (optimized dispatchers, overlapping, etc.), and computation (Grouped GEMM, fusions, CUDA Graphs, etc.). The framework also provides Parallel Folding for flexible multi-dimensional parallelism, low-precision training support for FP8 and NVFP4, and efficient long-context training. On NVIDIA GB300 and GB200, it achieves 1,233/1,048 TFLOPS/GPU for DeepSeek-V3-685B and 974/919 TFLOPS/GPU for Qwen3-235B. As a performant, scalable, and production-ready open-source solution, it has been used across academia and industry for training MoE models ranging from billions to trillions of parameters on clusters scaling up to thousands of GPUs. This report explains how these techniques work, their trade-offs, and their interactions at the systems level, providing practical guidance for scaling MoE models with Megatron Core.

cs.DC↗

arXiv2025

Pretraining Large Language Models with NVFP4

Large Language Models (LLMs) today are powerful problem solvers across many domains, and they continue to get stronger as they scale in model size, training set size, and training set quality, as shown by extensive research and experimentation across the industry. Training a frontier model today requires on the order of tens to hundreds of yottaflops, which is a massive investment of time, compute, and energy. Improving pretraining efficiency is therefore essential to enable the next generation of even more capable LLMs. While 8-bit floating point (FP8) training is now widely adopted, transitioning to even narrower precision, such as 4-bit floating point (FP4), could unlock additional improvements in computational speed and resource utilization. However, quantization at this level poses challenges to training stability, convergence, and implementation, notably for large-scale models trained on long token horizons. In this study, we introduce a novel approach for stable and accurate training of large language models (LLMs) using the NVFP4 format. Our method integrates Random Hadamard transforms (RHT) to bound block-level outliers, employs a two-dimensional quantization scheme for consistent representations across both the forward and backward passes, utilizes stochastic rounding for unbiased gradient estimation, and incorporates selective high-precision layers. We validate our approach by training a 12-billion-parameter model on 10 trillion tokens -- the longest publicly documented training run in 4-bit precision to date. Our results show that the model trained with our NVFP4-based pretraining technique achieves training loss and downstream task accuracies comparable to an FP8 baseline. These findings highlight that NVFP4, when combined with our training approach, represents a major step forward in narrow-precision LLM training algorithms.

cs.CL↗

arXiv2025

Training Video Foundation Models with NVIDIA NeMo

Video Foundation Models (VFMs) have recently been used to simulate the real world to train physical AI systems and develop creative visual experiences. However, there are significant challenges in training large-scale, high quality VFMs that can generate high-quality videos. We present a scalable, open-source VFM training pipeline with NVIDIA NeMo, providing accelerated video dataset curation, multimodal data loading, and parallelized video diffusion model training and inference. We also provide a comprehensive performance analysis highlighting best practices for efficient VFM training and inference.

cs.CV↗

arXiv2025

Cosmos World Foundation Model Platform for Physical AI

Physical AI needs to be trained digitally first. It needs a digital twin of itself, the policy model, and a digital twin of the world, the world model. In this paper, we present the Cosmos World Foundation Model Platform to help developers build customized world models for their Physical AI setups. We position a world foundation model as a general-purpose world model that can be fine-tuned into customized world models for downstream applications. Our platform covers a video curation pipeline, pre-trained world foundation models, examples of post-training of pre-trained world foundation models, and video tokenizers. To help Physical AI builders solve the most critical problems of our society, we make Cosmos open-source and our models open-weight with permissive licenses available via https://github.com/nvidia-cosmos/cosmos-predict1.

cs.CV↗

arXiv2020

Procrustes: a Dataflow and Accelerator for Sparse Deep Neural Network Training

The success of DNN pruning has led to the development of energy-efficient inference accelerators that support pruned models with sparse weight and activation tensors. Because the memory layouts and dataflows in these architectures are optimized for the access patterns during $\mathit{inference}$, however, they do not efficiently support the emerging sparse $\mathit{training}$ techniques. In this paper, we demonstrate (a) that accelerating sparse training requires a co-design approach where algorithms are adapted to suit the constraints of hardware, and (b) that hardware for sparse DNN training must tackle constraints that do not arise in inference accelerators. As proof of concept, we adapt a sparse training algorithm to be amenable to hardware acceleration; we then develop dataflow, data layout, and load-balancing techniques to accelerate it. The resulting system is a sparse DNN training accelerator that produces pruned models with the same accuracy as dense models without first training, then pruning, and finally retraining, a dense model. Compared to training the equivalent unpruned models using a state-of-the-art DNN accelerator without sparse training support, Procrustes consumes up to 3.26$\times$ less energy and offers up to 4$\times$ speedup across a range of models, while pruning weights by an order of magnitude and maintaining unpruned accuracy.

cs.NE↗