arXiv subjects

Ross Maciejewski

Publications and source records attributed to Ross Maciejewski.

At least 19 recordsLinked to original sources

arXiv2026

LatentFlow: Visual Analytics for Latent Space Analysis in Molecular Graph Neural Networks

Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their reactions. Beyond predictive performance, understanding how these models organize chemical information internally in their latent spaces, i.e., the embeddings of the molecules, is critical. Analyzing latent spaces helps diagnose model behavior and assess whether the learned embeddings are organized in ways that reflect meaningful chemical relationships. Unfortunately, existing methods provide limited support for analyzing latent spaces across layers and across different model states (e.g., training epochs, model configurations, and input data), making it difficult to understand how these latent spaces evolve throughout a model or relate to chemical concepts. We present LatentFlow, a visual analytics system developed in collaboration with a domain expert for analyzing latent spaces in molecular GNNs. LatentFlow groups embeddings into clusters and supports exploration of latent spaces by tracking how these clusters change across layers and model states using a modified Sankey diagram. To support interpretation, LatentFlow links these clusters to representative molecules and their shared substructures, and it allows scientists to introduce their own domain knowledge and compare it with the patterns found in the latent spaces. We evaluate LatentFlow through two case studies. The results show that LatentFlow helps scientists understand how latent spaces evolve, identify meaningful molecular patterns, and better interpret model behavior.

cs.LG↗

arXiv2026

LLMs have Visualization Literacy: Now What? Experiments Exploring LLM Visualization Evaluation Capabilities

As Large Language Models (LLMs) become more popular within the visualization community, researchers increasingly leverage them for diverse visualization tasks such as design guideline suggestions and visualization evaluation. However, in order for LLMs to act as trustworthy and fair evaluators, we argue that LLMs would need to possess visualization literacy, be capable of following user instructions and uphold graphical integrity. We test the latest versions of the most prominent LLMs, specifically Anthropic's Claude (Opus 4.5), OpenAI's Generative Pretrained Transformers (GPT 5.2 Pro), and Google's Gemini (Gemini 3 Flash) on these features and find that while these models now possess visualization literacy, they still struggle with other features necessary for instruction following and graphical integrity. Using a modified Visualization Literacy Assessment Test (VLAT), our findings show that these recent LLMs have achieved greater than human-levels of visualization literacy in contrast to prior research. In order to test the models' abilities to follow instructions, we used few-shot and chain-of-thought prompting as proxies for instruction following tasks on evaluating visualization literacy and find that these specialized prompting techniques are becoming obsolete with respect to improving visualization literacy. Additionally, we experiment with the inherent ability of LLMs to evaluate misleading visualizations to test the models' abilities for upholding graphical integrity and find that without specialized or leading prompting techniques, the models struggle with being able to accurately identify whether a visualization is misleading or not. Our results further break down the performance of each model on these tasks, but the culmination of our findings force us to reconsider the current effectiveness of LLMs as visualization evaluators.

cs.PF↗

arXiv2026

Review and Analysis of Scientific Paper Embellishments

We present a review and analysis of scientific paper embellishments -- simple visual elements that are deeply integrated into the text of scientific publications. These embellishments are increasingly used in research papers, which have the potential to enhance textual descriptions, strengthen connections between figures and content, and improve internal textual coherence, while also carrying the risk of disrupting the reading experience. As their exact impact is not yet well understood, we conducted a systematic review of all visualization papers published between 2019 and 2024 in IEEE VIS, ACM CHI, and EuroVis. From this corpus, we identified 374 papers that used paper embellishments and distilled three key dimensions that characterize their usage: purposes (WHY), design choices (HOW), and locations (WHERE) of paper embellishments. Our findings provide a structured perspective on the form of current embellishments in scientific writing in the visualization domain and provide insights into their role in shaping scientific communication.

cs.DL↗

arXiv2026

Landscaper: Understanding Loss Landscapes Through Multi-Dimensional Topological Analysis

Loss landscapes are a powerful tool for understanding neural network optimization and generalization, yet traditional low-dimensional analyses often miss complex topological features. We present Landscaper, an open-source Python package for arbitrary-dimensional loss landscape analysis. Landscaper combines Hessian-based subspace construction with topological data analysis to reveal geometric structures such as basin hierarchy and connectivity. A key component is the Saddle-Minimum Average Distance (SMAD) for quantifying landscape smoothness. We demonstrate Landscaper's effectiveness across various architectures and tasks, including those involving pre-trained language models, showing that SMAD captures training transitions, such as landscape simplification, that conventional metrics miss. We also illustrate Landscaper's performance in challenging chemical property prediction tasks, where SMAD can serve as a metric for out-of-distribution generalization, offering valuable insights for model diagnostics and architecture design in data-scarce scientific machine learning scenarios.

cs.LG↗

arXiv2026

The Impact of Uncertainty Visualization on Trust in Thematic Maps

Thematic maps are widely used to communicate spatial patterns to non-expert audiences. Although uncertainty is inherent in thematic map data, it is rarely visualized, raising questions about how its inclusion affects trust. Prior work offers mixed perspectives: some argue that uncertainty fosters trust through transparency, while others suggest it may reduce trust by introducing confusion. Yet few empirical studies explicitly measure trust in thematic maps. We conducted a between-subjects experiment (N=161) to evaluate how visualizing uncertainty at varying levels (low, medium, high) influences trust. We find that uncertainty visualization generally reduces trust, with greater reductions observed as uncertainty levels increase. However, maps dominated by low uncertainty do not significantly differ in trust from those with no uncertainty. Moreover, while uncertainty visualization tends to make readers question the accuracy of the data, it appears to have a weaker influence on perceptions of the mapmaker's integrity.

cs.HC↗

arXiv2026

LAMDA: Aiding Visual Exploration of Atomic Displacements in Molecular Dynamics Simulations

Contemporary materials science research is heavily conducted in silico, involving massive simulations of the atomic-scale evolution of materials. Cataloging basic patterns in the atomic displacements is key to understanding and predicting the evolution of physical properties. However, the combinatorial complexity of the space of possible transitions coupled with the overwhelming amount of data being produced by high-throughput simulations make such an analysis extremely challenging and time-consuming for domain experts. The development of visual analytics systems that facilitate the exploration of simulation data is an active field of research. While these systems excel in identifying temporal regions of interest, they treat each timestep of a simulation as an independent event without considering the behavior of the atomic displacements between timesteps. We address this gap by introducing LAMDA, a visual analytics system that allows domain experts to quickly and systematically explore state-to-state transitions. In LAMDA, transitions are hierarchically categorized, providing a basis for cataloging displacement behavior, as well as enabling the analysis of simulations at different resolutions, ranging from very broad qualitative classes of transitions to very narrow definitions of unit processes. LAMDA supports navigating the hierarchy of transitions, enabling scientists to visualize the commonalities between different transitions in each class in terms of invariant features characterizing local atomic environments, and LAMDA simplifies the analysis by capturing user inputs through annotations. We evaluate our system through a case study and report on findings from our domain experts.

cs.HC↗

arXiv2025

Skeptik: A Hybrid Framework for Combating Potential Misinformation in Journalism

The proliferation of misinformation in journalism, often stemming from flawed reasoning and logical fallacies, poses significant challenges to public understanding and trust in news media. Traditional fact-checking methods, while valuable, are insufficient for detecting the subtle logical inconsistencies that can mislead readers within seemingly factual content. To address this gap, we introduce Skeptik, a hybrid framework that integrates Large Language Models (LLMs) with heuristic approaches to analyze and annotate potential logical fallacies and reasoning errors in online news articles. Operating as a web browser extension, Skeptik automatically highlights sentences that may contain logical fallacies, provides detailed explanations, and offers multi-layered interventions to help readers critically assess the information presented. The system is designed to be extensible, accommodating a wide range of fallacy types and adapting to evolving misinformation tactics. Through comprehensive case studies, quantitative analyses, usability experiments, and expert evaluations, we demonstrate the effectiveness of Skeptik in enhancing readers' critical examination of news content and promoting media literacy. Our contributions include the development of an expandable classification system for logical fallacies, the innovative integration of LLMs for real-time analysis and annotation, and the creation of an interactive user interface that fosters user engagement and close reading. By emphasizing the logical integrity of textual content rather than relying solely on factual accuracy, Skeptik offers a comprehensive solution to combat potential misinformation in journalism. Ultimately, our framework aims to improve critical reading and protect the public from deceptive information online and enhance the overall credibility of news media.

cs.HC↗

arXiv2025

MapIQ: Evaluating Multimodal Large Language Models for Map Question Answering

Recent advancements in multimodal large language models (MLLMs) have driven researchers to explore how well these models read data visualizations, e.g., bar charts, scatter plots. More recently, attention has shifted to visual question answering with maps (Map-VQA). However, Map-VQA research has primarily focused on choropleth maps, which cover only a limited range of thematic categories and visual analytical tasks. To address these gaps, we introduce MapIQ, a benchmark dataset comprising 14,706 question-answer pairs across three map types: choropleth maps, cartograms, and proportional symbol maps spanning topics from six distinct themes (e.g., housing, crime). We evaluate multiple MLLMs using six visual analytical tasks, comparing their performance against one another and a human baseline. An additional experiment examining the impact of map design changes (e.g., altered color schemes, modified legend designs, and removal of map elements) provides insights into the robustness and sensitivity of MLLMs, their reliance on internal geographic knowledge, and potential avenues for improving Map-VQA performance.

cs.CL↗

arXiv2025

FEWSim: A Visual Analytic Framework for Exploring the Nexus of Food-Energy-Water Simulations

The interdependencies of food, energy, and water (FEW) systems create a nexus opportunity to explore the strengths and vulnerabilities of individual and cross-sector interactions within FEW systems. However, the variables quantifying nexus interactions are hard to observe, which hinders the cross-sector analysis. To overcome such challenges, we present FEWSim, a visual analytics framework designed to support domain experts in exploring and interpreting simulation results from a coupled FEW model. FEWSim employs a three-layer asynchronous architecture: the model layer integrates food, energy, and water models to simulate the FEW nexus; the middleware layer manages scenario configuration and execution; and the visualization layer provides interactive visual exploration of simulated time-series results across FEW sectors. The visualization layer further facilitates the exploration across multiple scenarios and evaluates scenario differences in performance using sustainability indices of the FEW nexus. We demonstrate the utility of FEWSim through a case study for the Phoenix Active Management Area (AMA) in Arizona.

cs.HC↗

arXiv2025

Learnable Spatial-Temporal Positional Encoding for Link Prediction

Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art works to record the canonical position information. However, the current positional encoding is limited in three aspects: (1) most positional encoding methods use pre-defined, and fixed functions, which are inadequate to adapt to the complex attributed graphs; (2) a few pioneering works proposed the learnable positional encoding but are still limited to the structural information, not considering the real-world time-evolving topological and feature information; (3) most positional encoding methods are equipped with transformers' attention mechanism to fully leverage their capabilities, where the dense or relational attention is often unaffordable on large-scale structured data. Hence, we aim to develop Learnable Spatial-Temporal Positional Encoding in an effective and efficient manner and propose a simple temporal link prediction model named L-STEP. Briefly, for L-STEP, we (1) prove the proposed positional learning scheme can preserve the graph property from the spatial-temporal spectral viewpoint, (2) verify that MLPs can fully exploit the expressiveness and reach transformers' performance on that encoding, (3) change different initial positional encoding inputs to show robustness, (4) analyze the theoretical complexity and obtain less empirical running time than SOTA, and (5) demonstrate its temporal link prediction out-performance on 13 classic datasets and with 10 algorithms in both transductive and inductive settings using 3 different sampling strategies. Also, L-STEP obtains the leading performance in the newest large-scale TGB benchmark. Our code is available at https://github.com/kthrn22/L-STEP.

cs.LG↗

arXiv2025

Do LLMs Have Visualization Literacy? An Evaluation on Modified Visualizations to Test Generalization in Data Interpretation

In this paper, we assess the visualization literacy of two prominent Large Language Models (LLMs): OpenAI's Generative Pretrained Transformers (GPT), the backend of ChatGPT, and Google's Gemini, previously known as Bard, to establish benchmarks for assessing their visualization capabilities. While LLMs have shown promise in generating chart descriptions, captions, and design suggestions, their potential for evaluating visualizations remains under-explored. Collecting data from humans for evaluations has been a bottleneck for visualization research in terms of both time and money, and if LLMs were able to serve, even in some limited role, as evaluators, they could be a significant resource. To investigate the feasibility of using LLMs in the visualization evaluation process, we explore the extent to which LLMs possess visualization literacy -- a crucial factor for their effective utility in the field. We conducted a series of experiments using a modified 53-item Visualization Literacy Assessment Test (VLAT) for GPT-4 and Gemini. Our findings indicate that the LLMs we explored currently fail to achieve the same levels of visualization literacy when compared to data from the general public reported in VLAT, and LLMs heavily relied on their pre-existing knowledge to answer questions instead of utilizing the information provided by the visualization when answering questions.

cs.PF↗

arXiv2024

LossLens: Diagnostics for Machine Learning through Loss Landscape Visual Analytics

Modern machine learning often relies on optimizing a neural network's parameters using a loss function to learn complex features. Beyond training, examining the loss function with respect to a network's parameters (i.e., as a loss landscape) can reveal insights into the architecture and learning process. While the local structure of the loss landscape surrounding an individual solution can be characterized using a variety of approaches, the global structure of a loss landscape, which includes potentially many local minima corresponding to different solutions, remains far more difficult to conceptualize and visualize. To address this difficulty, we introduce LossLens, a visual analytics framework that explores loss landscapes at multiple scales. LossLens integrates metrics from global and local scales into a comprehensive visual representation, enhancing model diagnostics. We demonstrate LossLens through two case studies: visualizing how residual connections influence a ResNet-20, and visualizing how physical parameters influence a physics-informed neural network (PINN) solving a simple convection problem.

cs.LG↗

arXiv2024

Visualizing Loss Functions as Topological Landscape Profiles

In machine learning, a loss function measures the difference between model predictions and ground-truth (or target) values. For neural network models, visualizing how this loss changes as model parameters are varied can provide insights into the local structure of the so-called loss landscape (e.g., smoothness) as well as global properties of the underlying model (e.g., generalization performance). While various methods for visualizing the loss landscape have been proposed, many approaches limit sampling to just one or two directions, ignoring potentially relevant information in this extremely high-dimensional space. This paper introduces a new representation based on topological data analysis that enables the visualization of higher-dimensional loss landscapes. After describing this new topological landscape profile representation, we show how the shape of loss landscapes can reveal new details about model performance and learning dynamics, highlighting several use cases, including image segmentation (e.g., UNet) and scientific machine learning (e.g., physics-informed neural networks). Through these examples, we provide new insights into how loss landscapes vary across distinct hyperparameter spaces: we find that the topology of the loss landscape is simpler for better-performing models; and we observe greater variation in the shape of loss landscapes near transitions from low to high model performance.

cs.LG↗

arXiv2024

Evaluating Loss Landscapes from a Topology Perspective

Characterizing the loss of a neural network with respect to model parameters, i.e., the loss landscape, can provide valuable insights into properties of that model. Various methods for visualizing loss landscapes have been proposed, but less emphasis has been placed on quantifying and extracting actionable and reproducible insights from these complex representations. Inspired by powerful tools from topological data analysis (TDA) for summarizing the structure of high-dimensional data, here we characterize the underlying shape (or topology) of loss landscapes, quantifying the topology to reveal new insights about neural networks. To relate our findings to the machine learning (ML) literature, we compute simple performance metrics (e.g., accuracy, error), and we characterize the local structure of loss landscapes using Hessian-based metrics (e.g., largest eigenvalue, trace, eigenvalue spectral density). Following this approach, we study established models from image pattern recognition (e.g., ResNets) and scientific ML (e.g., physics-informed neural networks), and we show how quantifying the shape of loss landscapes can provide new insights into model performance and learning dynamics.

cs.LG↗

arXiv2024

IDNet: A Novel Dataset for Identity Document Analysis and Fraud Detection

Effective fraud detection and analysis of government-issued identity documents, such as passports, driver's licenses, and identity cards, are essential in thwarting identity theft and bolstering security on online platforms. The training of accurate fraud detection and analysis tools depends on the availability of extensive identity document datasets. However, current publicly available benchmark datasets for identity document analysis, including MIDV-500, MIDV-2020, and FMIDV, fall short in several respects: they offer a limited number of samples, cover insufficient varieties of fraud patterns, and seldom include alterations in critical personal identifying fields like portrait images, limiting their utility in training models capable of detecting realistic frauds while preserving privacy. In response to these shortcomings, our research introduces a new benchmark dataset, IDNet, designed to advance privacy-preserving fraud detection efforts. The IDNet dataset comprises 837,060 images of synthetically generated identity documents, totaling approximately 490 gigabytes, categorized into 20 types from $10$ U.S. states and 10 European countries. We evaluate the utility and present use cases of the dataset, illustrating how it can aid in training privacy-preserving fraud detection methods, facilitating the generation of camera and video capturing of identity documents, and testing schema unification and other identity document management functionalities.

cs.CV↗

arXiv2024

Understanding Reader Takeaways in Thematic Maps Under Varying Text, Detail, and Spatial Autocorrelation

Maps are crucial in conveying geospatial data in diverse contexts such as news and scientific reports. This research, utilizing thematic maps, probes deeper into the underexplored intersection of text framing and map types in influencing map interpretation. In this work, we conducted experiments to evaluate how textual detail and semantic content variations affect the quality of insights derived from map examination. We also explored the influence of explanatory annotations across different map types (e.g., choropleth, hexbin, isarithmic), base map details, and changing levels of spatial autocorrelation in the data. From two online experiments with $N=103$ participants, we found that annotations, their specific attributes, and map type used to present the data significantly shape the quality of takeaways. Notably, we found that the effectiveness of annotations hinges on their contextual integration. These findings offer valuable guidance to the visualization community for crafting impactful thematic geospatial representations.

cs.HC↗

arXiv2024

Capturing Cancer as Music: Cancer Mechanisms Expressed through Musification

The development of cancer is difficult to express on a simple and intuitive level due to its complexity. Since cancer is so widespread, raising public awareness about its mechanisms can help those affected cope with its realities, as well as inspire others to make lifestyle adjustments and screen for the disease. Unfortunately, studies have shown that cancer literature is too technical for the general public to understand. We found that musification, the process of turning data into music, remains an unexplored avenue for conveying this information. We explore the pedagogical effectiveness of musification through the use of an algorithm that manipulates a piece of music in a manner analogous to the development of cancer. We conducted two lab studies and found that our approach is marginally more effective at promoting cancer literacy when accompanied by a text-based article than text-based articles alone.

cs.HC↗

arXiv2024

A Survey of Designs for Combined 2D+3D Visual Representations

We examine visual representations of data that make use of combinations of both 2D and 3D data mappings. Combining 2D and 3D representations is a common technique that allows viewers to understand multiple facets of the data with which they are interacting. While 3D representations focus on the spatial character of the data or the dedicated 3D data mapping, 2D representations often show abstract data properties and take advantage of the unique benefits of mapping to a plane. Many systems have used unique combinations of both types of data mappings effectively. Yet there are no systematic reviews of the methods in linking 2D and 3D representations. We systematically survey the relationships between 2D and 3D visual representations in major visualization publications -- IEEE VIS, IEEE TVCG, and EuroVis -- from 2012 to 2022. We closely examined 105 papers where 2D and 3D representations are connected visually, interactively, or through animation. These approaches are designed based on their visual environment, the relationships between their visual representations, and their possible layouts. Through our analysis, we introduce a design space as well as provide design guidelines for effectively linking 2D and 3D visual representations.

cs.HC↗