James Ahrens

Justin Z. Tam, Pascal Grosset, Divya Banesh et al.

Analyzing large-scale scientific datasets presents substantial challenges due to their sheer volume, structural complexity, and the need for specialized domain knowledge. Automation tools, such as PandasAI, typically require full data ingestion and lack context of the full data structure, making them impractical as intelligent data analysis assistants for datasets at the terabyte scale. To overcome these limitations, we propose InferA, a multi-agent system that leverages large language models to enable scalable and efficient scientific data analysis. At the core of the architecture is a supervisor agent that orchestrates a team of specialized agents responsible for distinct phases of the data retrieval and analysis. The system engages interactively with users to elicit their analytical intent and confirm query objectives, ensuring alignment between user goals and system actions. To demonstrate the framework's usability, we evaluate the system using ensemble runs from the HACC cosmology simulation which comprises several terabytes.

Soumya Dutta, Terece Turton, David Rogers et al.

The study of multiphase flow is essential for understanding the complex interactions of various materials. In particular, when designing chemical reactors such as fluidized bed reactors (FBR), a detailed understanding of the hydrodynamics is critical for optimizing reactor performance and stability. An FBR allows experts to conduct different types of chemical reactions involving multiphase materials, especially interaction between gas and solids. During such complex chemical processes, formation of void regions in the reactor, generally termed as bubbles, is an important phenomenon. Study of these bubbles has a deep implication in predicting the reactor's overall efficiency. But physical experiments needed to understand bubble dynamics are costly and non-trivial. Therefore, to study such chemical processes and bubble dynamics, a state-of-the-art massively parallel computational fluid dynamics discrete element model (CFD-DEM), MFIX-Exa is being developed for simulating multiphase flows. Despite the proven accuracy of MFIX-Exa in modeling bubbling phenomena, the very-large size of the output data prohibits the use of traditional post hoc analysis capabilities in both storage and I/O time. To address these issues and allow the application scientists to explore the bubble dynamics in an efficient and timely manner, we have developed an end-to-end visual analytics pipeline that enables in situ detection of bubbles using statistical techniques, followed by a flexible and interactive visual exploration of bubble dynamics in the post hoc analysis phase. Positive feedback from the experts has indicated the efficacy of the proposed approach for exploring bubble dynamics in very-large scale multiphase flow simulations.

Soumya Dutta, Ayan Biswas, James Ahrens

With increasing computing capabilities of modern supercomputers, the size of the data generated from the scientific simulations is growing rapidly. As a result, application scientists need effective data summarization techniques that can reduce large-scale multivariate spatiotemporal data sets while preserving the important data properties so that the reduced data can answer domain-specific queries involving multiple variables with sufficient accuracy. While analyzing complex scientific events, domain experts often analyze and visualize two or more variables together to obtain a better understanding of the characteristics of the data features. Therefore, data summarization techniques are required to analyze multi-variable relationships in detail and then perform data reduction such that the important features involving multiple variables are preserved in the reduced data. To achieve this, in this work, we propose a data sub-sampling algorithm for performing statistical data summarization that leverages pointwise information theoretic measures to quantify the statistical association of data points considering multiple variables and generates a sub-sampled data that preserves the statistical association among multi-variables. Using such reduced sampled data, we show that multivariate feature query and analysis can be done effectively. The efficacy of the proposed multivariate association driven sampling algorithm is presented by applying it on several scientific data sets.

Xinyu Chen, Qiang Guan, Li-Ta Lo et al.

Convolutional Neural Networks(CNNs) are complex systems. They are trained so they can adapt their internal connections to recognize images, texts and more. It is both interesting and helpful to visualize the dynamics within such deep artificial neural networks so that people can understand how these artificial networks are learning and making predictions. In the field of scientific simulations, visualization tools like Paraview have long been utilized to provide insights and understandings. We present in situ TensorView to visualize the training and functioning of CNNs as if they are systems of scientific simulations. In situ TensorView is a loosely coupled in situ visualization open framework that provides multiple viewers to help users to visualize and understand their networks. It leverages the capability of co-processing from Paraview to provide real-time visualization during training and predicting phases. This avoid heavy I/O overhead for visualizing large dynamic systems. Only a small number of lines of codes are injected in TensorFlow framework. The visualization can provide guidance to adjust the architecture of networks, or compress the pre-trained networks. We showcase visualizing the training of LeNet-5 and VGG16 using in situ TensorView.