This work addresses the critical need to explicitly incorporate ensemble parameters into the learning process, as traditional methods often neglect these, limiting their ability to adapt to diverse simulation settings and provide meaningful insights into the data dynamics. HyperFLINT introduces a hypernetwork to account for simulation parameters, enabling it to generate accurate interpolations and flow fields for each timestep by dynamically adapting to varying conditions, thereby outperforming existing parameter-agnostic approaches. The architecture features modular neural blocks with convolutional and deconvolutional layers, supported by a hypernetwork that generates weights for the main network, allowing the model to better capture intricate simulation dynamics. A series of experiments demonstrates HyperFLINT's significantly improved performance in flow field estimation and temporal interpolation, as well as its potential in enabling parameter space exploration, offering valuable insights into complex scientific ensembles.

Graph Neural Networks (GNNs) have proven highly effective in various machine learning (ML) tasks involving graphs, such as node/graph classification and link prediction. However, explaining the decisions made by GNNs poses challenges because of the aggregated relational information based on graph structure, leading to complex data transformations. Existing methods for explaining GNNs often face limitations in systematically exploring diverse substructures and evaluating results in the absence of ground truths. To address this gap, we introduce GNNAnatomy, a model- and dataset-agnostic visual analytics system designed to facilitate the generation and evaluation of multi-level explanations for GNNs. In GNNAnatomy, we employ graphlets to elucidate GNN behavior in graph-level classification tasks. By analyzing the associations between GNN classifications and graphlet frequencies, we formulate hypothesized factual and counterfactual explanations. To validate a hypothesized graphlet explanation, we introduce two metrics: (1) the correlation between its frequency and the classification confidence, and (2) the change in classification confidence after removing this substructure from the original graph. To demonstrate the effectiveness of GNNAnatomy, we conduct case studies on both real-world and synthetic graph datasets from various domains. Additionally, we qualitatively compare GNNAnatomy with a state-of-the-art GNN explainer, demonstrating the utility and versatility of our design.

Time series anomaly detection is a critical machine learning task for numerous applications, such as finance, healthcare, and industrial systems. However, even high-performed models may exhibit potential issues such as biases, leading to unreliable outcomes and misplaced confidence. While model explanation techniques, particularly visual explanations, offer valuable insights to detect such issues by elucidating model attributions of their decision, many limitations still exist -- They are primarily instance-based and not scalable across dataset, and they provide one-directional information from the model to the human side, lacking a mechanism for users to address detected issues. To fulfill these gaps, we introduce HILAD, a novel framework designed to foster a dynamic and bidirectional collaboration between humans and AI for enhancing anomaly detection models in time series. Through our visual interface, HILAD empowers domain experts to detect, interpret, and correct unexpected model behaviors at scale. Our evaluation with two time series datasets and user studies demonstrates the effectiveness of HILAD in fostering a deeper human understanding, immediate corrective actions, and the reliability enhancement of models.

Communication among healthcare professionals (HCPs) is crucial for the quality of patient treatment. Surrounding each patient's treatment, communication among HCPs can be examined as temporal networks, constructed from Electronic Health Record (EHR) access logs. This paper introduces a visual analytics system designed to study the effectiveness and efficiency of temporal communication networks mediated by the EHR system. We present a method that associates network measures with patient survival outcomes and devises effectiveness metrics based on these associations. To analyze communication efficiency, we extract the latencies and frequencies of EHR accesses. Our visual analytics system is designed to assist in inspecting and understanding the composed communication effectiveness metrics and to enable the exploration of communication efficiency by encoding latencies and frequencies in an information flow diagram. We demonstrate and evaluate our system through multiple case studies and an expert review.

Multivariate networks are commonly found in real-world data-driven applications. Uncovering and understanding the relations of interest in multivariate networks is not a trivial task. This paper presents a visual analytics workflow for studying multivariate networks to extract associations between different structural and semantic characteristics of the networks (e.g., what are the combinations of attributes largely relating to the density of a social network?). The workflow consists of a neural-network-based learning phase to classify the data based on the chosen input and output attributes, a dimensionality reduction and optimization phase to produce a simplified set of results for examination, and finally an interpreting phase conducted by the user through an interactive visualization interface. A key part of our design is a composite variable construction step that remodels nonlinear features obtained by neural networks into linear features that are intuitive to interpret. We demonstrate the capabilities of this workflow with multiple case studies on networks derived from social media usage and also evaluate the workflow through an expert interview.

A common way to evaluate the reliability of dimensionality reduction (DR) embeddings is to quantify how well labeled classes form compact, mutually separated clusters in the embeddings. This approach is based on the assumption that the classes stay as clear clusters in the original high-dimensional space. However, in reality, this assumption can be violated; a single class can be fragmented into multiple separated clusters, and multiple classes can be merged into a single cluster. We thus cannot always assure the credibility of the evaluation using class labels. In this paper, we introduce two novel quality measures -- Label-Trustworthiness and Label-Continuity (Label-T&C) -- advancing the process of DR evaluation based on class labels. Instead of assuming that classes are well-clustered in the original space, Label-T&C work by (1) estimating the extent to which classes form clusters in the original and embedded spaces and (2) evaluating the difference between the two. A quantitative evaluation showed that Label-T&C outperform widely used DR evaluation measures (e.g., Trustworthiness and Continuity, Kullback-Leibler divergence) in terms of the accuracy in assessing how well DR embeddings preserve the cluster structure, and are also scalable. Moreover, we present case studies demonstrating that Label-T&C can be successfully used for revealing the intrinsic characteristics of DR techniques and their hyperparameters.

Neural networks have shown great potential in compressing volume data for visualization. However, due to the high cost of training and inference, such volumetric neural representations have thus far only been applied to offline data processing and non-interactive rendering. In this paper, we demonstrate that by simultaneously leveraging modern GPU tensor cores, a native CUDA neural network framework, and a well-designed rendering algorithm with macro-cell acceleration, we can interactively ray trace volumetric neural representations (10-60fps). Our neural representations are also high-fidelity (PSNR > 30dB) and compact (10-1000x smaller). Additionally, we show that it is possible to fit the entire training step inside a rendering loop and skip the pre-training process completely. To support extreme-scale volume data, we also develop an efficient out-of-core training strategy, which allows our volumetric neural representation training to potentially scale up to terascale using only an NVIDIA RTX 3090 workstation.

Volume data is commonly found in many scientific disciplines, like medicine, physics, and biology. Experts rely on robust scientific visualization techniques to extract valuable insights from the data. Recent years have shown path tracing to be the preferred approach for volumetric rendering, given its high levels of realism. However, real-time volumetric path tracing often suffers from stochastic noise and long convergence times, limiting interactive exploration. In this paper, we present a novel method to enable real-time global illumination for volume data visualization. We develop Photon Field Networks -- a phase-function-aware, multi-light neural representation of indirect volumetric global illumination. The fields are trained on multi-phase photon caches that we compute a priori. Training can be done within seconds, after which the fields can be used in various rendering tasks. To showcase their potential, we develop a custom neural path tracer, with which our photon fields achieve interactive framerates even on large datasets. We conduct in-depth evaluations of the method's performance, including visual quality, stochastic noise, inference and rendering speeds, and accuracy regarding illumination and phase function awareness. Results are compared to ray marching, path tracing and photon mapping. Our findings show that Photon Field Networks can faithfully represent indirect global illumination across the phase spectrum while exhibiting less stochastic noise and rendering at a significantly faster rate than traditional methods.

Listed timesteps are midpoints of different interpolation intervals. HyperINR can directly predict the weights of a regular implicit neural representation (INR) for unseen parameters. The predicted INR is in general more accurate than data interpolation results and can support interactive volumetric path tracing. Abstract--Implicit Neural Representations (INRs) have recently exhibited immense potential in the field of scientific visualization for both data generation and visualization tasks. However, these representations often consist of large multi-layer perceptrons (MLPs), necessitating millions of operations for a single forward pass, consequently hindering interactive visual exploration. While reducing the size of the MLPs and employing efficient parametric encoding schemes can alleviate this issue, it compromises generalizability for unseen parameters, rendering it unsuitable for tasks such as temporal super-resolution. In this paper, we introduce HyperINR, a novel hypernetwork architecture capable of directly predicting the weights for a compact INR. By harnessing an ensemble of multiresolution hash encoding units in unison, the resulting INR attains state-of-the-art inference performance (up to 100 higher inference bandwidth) and supports interactive photo-realistic volume visualization. Additionally, by incorporating knowledge distillation, exceptional data and visualization generation quality is achieved, making our method valuable for real-time parameter exploration. By simultaneously achieving efficiency and generalizability, HyperINR paves the way for applying INR in a wider array of scientific visualization applications.

In situ visualization and steering of computational modeling can be effectively achieved using reactive programming, which leverages temporal abstraction and data caching mechanisms to create dynamic workflows. However, implementing a temporal cache for large-scale simulations can be challenging. Implicit neural networks have proven effective in compressing large volume data. However, their application to distributed data has yet to be fully explored. In this work, we develop an implicit neural representation for distributed volume data and incorporate it into the DIVA reactive programming system. This implementation enables us to build an in situ temporal caching system with a capacity 100 times larger than previously achieved. We integrate our implementation into the Ascent infrastructure and evaluate its performance using real-world simulations.