Visualizing the large-scale datasets output by HPC resources presents a difficult challenge, as the memory and compute power required become prohibitively expensive for end user systems. Novel view synthesis techniques can address this by producing a small, interactive model of the data, requiring only a set of training images to learn from. While these models allow accessible visualization of large data and complex scenes, they do not provide the interactions needed for scientific volumes, as they do not support interactive selection of transfer functions and lighting parameters. To address this, we introduce Volume Encoding Gaussians (VEG), a 3D Gaussian-based representation for volume visualization that supports arbitrary color and opacity mappings. Unlike prior 3D Gaussian Splatting (3DGS) methods that store color and opacity for each Gaussian, VEG decouple the visual appearance from the data representation by encoding only scalar values, enabling transfer function-agnostic rendering of 3DGS models. To ensure complete scalar field coverage, we introduce an opacity-guided training strategy, using differentiable rendering with multiple transfer functions to optimize our data representation. This allows VEG to preserve fine features across a dataset's full scalar range while remaining independent of any specific transfer function. Across a diverse set of volume datasets, we demonstrate that our method outperforms the state-of-the-art on transfer functions unseen during training, while requiring a fraction of the memory and training time.

We present a multi-GPU extension of the 3D Gaussian Splatting (3D-GS) pipeline for scientific visualization. Building on previous work that demonstrated high-fidelity isosurface reconstruction using Gaussian primitives, we incorporate a multi-GPU training backend adapted from Grendel-GS to enable scalable processing of large datasets. By distributing optimization across GPUs, our method improves training throughput and supports high-resolution reconstructions that exceed single-GPU capacity. In our experiments, the system achieves a 5.6× speedup on the Kingsnake dataset (4M Gaussians) using four GPUs compared to a single-GPU baseline, and successfully trains the Miranda dataset (18M Gaussians) that is an infeasible task on a single A100 GPU. This work lays the groundwork for integrating 3D-GS into HPC-based scientific workflows, enabling real-time post hoc and in situ visualization of complex simulations.

Large-scale scientific simulations that run on high-performance computing resources are typically executed in batch mode, where jobs are queued and run once sufficient resources become available. Visualization and analysis of simulation data can be performed post hoc or in situ, but in both cases, scientists typically do not gain insights until after the simulation has completed. Recently, bidirectional steering capabilities integrated into in situ libraries have enabled scientists to investigate and control simulations during runtime. In this paper, we present our work on developing a bridge between Ascent (a flyweight in situ processing and visualization library) and Trame (a web-based framework for developing interactive visualizations) to create a means for domain users to intuitively steer large-scale simulations. We demonstrate the effectiveness of web-based, user-friendly, customizable steering through three real-world use cases involving large-scale production simulations.

In high-performance computing, collective communication is critical for facilitating comprehensive data exchange involving all processes within an MPI communicator. Due to their inherently global nature, many collective operations present scalability challenges, particularly the all-to-all data shuffle with its quadratic communication pattern. Using a logarithmic communication pattern, the Bruck algorithm was designed to provide communication efficiency for all-to-all data shuffles involving short-sized messages. The Bruck algorithm has been extensively used to facilitate global data shuffles in a multi-CPU environment and is also part of the MPICH and Open MPI implementations. This work presents the first investigation of using the Bruck algorithm for all-to-all communication in multi-GPU systems using the NVIDIA Collective Communications Library (NCCL). Our experimental study demonstrates that while the Bruck algorithm exhibits superior performance for small-sized messages in a multi-CPU environment, the same advantages are not evident for multi-GPU environments. Furthermore, we describe and compare an optimized Bruck algorithm implementation in NCCL and compare it to NCCL’s default all-to-all and MPI-based implementations. Finally, we discuss the challenges and opportunities of implementing new multi-GPU collectives using NCCL’s public-facing API.