Agent-based modeling is indispensable for studying complex systems across many domains. However, existing simulation platforms exhibit two major issues: performance and modularity. Low performance prevents simulations with a large number of agents, increases development time, limits parameter exploration, and raises computing costs. Inflexible software designs motivate modelers to create their own tools, diverting valuable resources. This dissertation introduces a novel simulation platform called BioDynaMo and its significant improvement, TeraAgent, to alleviate these challenges via three major works. First, we lay the platform's foundation by defining abstractions, establishing software infrastructure, and implementing a multitude of features for agent-based modeling. We demonstrate BioDynaMo's modularity through use cases in neuroscience, epidemiology, and oncology. We validate these models and show the simplicity of adding new functionality with few lines of code. Second, we perform a rigorous performance analysis and identify challenges for shared-memory parallelism. Provided solutions include an optimized grid for neighbor searching, mechanisms to reduce the memory access latency, and exploiting domain knowledge to omit unnecessary work. These improvements yield up to three orders of magnitude speedups, enabling simulations of 1.7 billion agents on a single server. Third, we present TeraAgent, a distributed simulation engine that allows scaling out the computation of one simulation to multiple servers. We identify and address server communication bottlenecks and implement solutions for serialization and delta encoding to accelerate and reduce data transfer. TeraAgent can simulate 500 billion agents and scales to 84096 CPU cores. BioDynaMo has been widely adopted, including a prize-winning radiotherapy simulation recognized as a top 10 breakthrough in physics in 2024.

Object-Centric Process Mining (OCPM) enables business process analysis from multiple perspectives. For example, an educational path can be examined from the viewpoints of students, teachers, and groups. This analysis depends on Object-Centric Event Data (OCED), which captures relationships between events and object types, representing different perspectives. Unlike traditional process mining techniques, extracting OCED minimizes the need for repeated log extractions when shifting the analytical focus. However, recording these complex relationships increases the complexity of the log extraction process. To address this challenge, this paper proposes a method for extracting OCED based on PM\inst{2}, a well-established process mining framework. Our approach introduces a structured framework that guides data analysts and engineers in extracting OCED for process analysis. We validate this framework by applying it in a real-world educational setting, demonstrating its effectiveness in extracting an Object-Centric Event Log (OCEL), which serves as the standard format for recording OCED, from a learning management system and an administrative grading system.

High-quality test items are essential for educational assessments, particularly within Item Response Theory (IRT). Traditional validation methods rely on resource-intensive pilot testing to estimate item difficulty and discrimination. More recently, Item-Writing Flaw (IWF) rubrics emerged as a domain-general approach for evaluating test items based on textual features. However, their relationship to IRT parameters remains underexplored. To address this gap, we conducted a study involving over 7,000 multiple-choice questions across various STEM subjects (e.g., math and biology). Using an automated approach, we annotated each question with a 19-criteria IWF rubric and studied relationships to data-driven IRT parameters. Our analysis revealed statistically significant links between the number of IWFs and IRT difficulty and discrimination parameters, particularly in life and physical science domains. We further observed how specific IWF criteria can impact item quality more and less severely (e.g., negative wording vs. implausible distractors). Overall, while IWFs are useful for predicting IRT parameters--particularly for screening low-difficulty MCQs--they cannot replace traditional data-driven validation methods. Our findings highlight the need for further research on domain-general evaluation rubrics and algorithms that understand domain-specific content for robust item validation.

The improper disposal and mismanagement of medical waste pose severe environmental and public health risks, contributing to greenhouse gas emissions and the spread of infectious diseases. Efficient and accurate medical waste classification is crucial for mitigating these risks. We explore the integration of capsule networks with a pretrained DenseNet model to improve medical waste classification. To the best of our knowledge, capsule networks have not yet been applied to this task, making this study the first to assess their effectiveness. A diverse dataset of medical waste images collected from multiple public sources, is used to evaluate three model configurations: (1) a pretrained DenseNet model as a baseline, (2) a pretrained DenseNet with frozen layers combined with a capsule network, and (3) a pretrained DenseNet with unfrozen layers combined with a capsule network. Experimental results demonstrate that incorporating capsule networks improves classification performance, with F1 scores increasing from 0.89 (baseline) to 0.92 (hybrid model with unfrozen layers). This highlights the potential of capsule networks to address the spatial limitations of traditional convolutional models and improve classification robustness. While the capsule-enhanced model demonstrated improved classification performance, direct comparisons with prior studies were challenging due to differences in dataset size and diversity. Previous studies relied on smaller, domain-specific datasets, which inherently yielded higher accuracy. In contrast, our study employs a significantly larger and more diverse dataset, leading to better generalization but introducing additional classification challenges. This highlights the trade-off between dataset complexity and model performance.

We seek to extract a temporally consistent 6D pose trajectory of a manipulated object from an Internet instructional video. This is a challenging set-up for current 6D pose estimation methods due to uncontrolled capturing conditions, subtle but dynamic object motions, and the fact that the exact mesh of the manipulated object is not known. To address these challenges, we present the following contributions. First, we develop a new method that estimates the 6D pose of any object in the input image without prior knowledge of the object itself. The method proceeds by (i) retrieving a CAD model similar to the depicted object from a large-scale model database, (ii) 6D aligning the retrieved CAD model with the input image, and (iii) grounding the absolute scale of the object with respect to the scene. Second, we extract smooth 6D object trajectories from Internet videos by carefully tracking the detected objects across video frames. The extracted object trajectories are then retargeted via trajectory optimization into the configuration space of a robotic manipulator. Third, we thoroughly evaluate and ablate our 6D pose estimation method on YCB-V and HOPE-Video datasets as well as a new dataset of instructional videos manually annotated with approximate 6D object trajectories. We demonstrate significant improvements over existing state-of-the-art RGB 6D pose estimation methods. Finally, we show that the 6D object motion estimated from Internet videos can be transferred to a 7-axis robotic manipulator both in a virtual simulator as well as in a real world set-up. We also successfully apply our method to egocentric videos taken from the EPIC-KITCHENS dataset, demonstrating potential for Embodied AI applications.

Large Language Models (LLMs) have demonstrated potential in predicting mental health outcomes from online text, yet traditional classification methods often lack interpretability and robustness. This study evaluates structured reasoning techniques-Chain-of-Thought (CoT), Self-Consistency (SC-CoT), and Tree-of-Thought (ToT)-to improve classification accuracy across multiple mental health datasets sourced from Reddit. We analyze reasoning-driven prompting strategies, including Zero-shot CoT and Few-shot CoT, using key performance metrics such as Balanced Accuracy, F1 score, and Sensitivity/Specificity. Our findings indicate that reasoning-enhanced techniques improve classification performance over direct prediction, particularly in complex cases. Compared to baselines such as Zero Shot non-CoT Prompting, and fine-tuned pre-trained transformers such as BERT and Mental-RoBerta, and fine-tuned Open Source LLMs such as Mental Alpaca and Mental-Flan-T5, reasoning-driven LLMs yield notable gains on datasets like Dreaddit (+0.52\% over M-LLM, +0.82\% over BERT) and SDCNL (+4.67\% over M-LLM, +2.17\% over BERT). However, performance declines in Depression Severity, and CSSRS predictions suggest dataset-specific limitations, likely due to our using a more extensive test set. Among prompting strategies, Few-shot CoT consistently outperforms others, reinforcing the effectiveness of reasoning-driven LLMs. Nonetheless, dataset variability highlights challenges in model reliability and interpretability. This study provides a comprehensive benchmark of reasoning-based LLM techniques for mental health text classification. It offers insights into their potential for scalable clinical applications while identifying key challenges for future improvements.

This research introduces a comprehensive system based on state-of-the-art natural language processing, semantic embedding, and efficient search techniques for retrieving similarities and thus generating actionable insights from raw textual information. The system automatically extracts and aggregates normalized competencies from multiple documents (such as policy files and curricula vitae) and creates strong relationships between recognized competencies, occupation profiles, and related learning courses. To validate its performance, we conducted a multi-tier evaluation that included both explicit and implicit skill references in synthetic and real-world documents. The results showed near-human-level accuracy, with F1 scores exceeding 0.95 for explicit skill detection and above 0.93 for implicit mentions. The system thereby establishes a sound foundation for supporting in-depth collaboration across the AE4RIA network. The methodology involves a multi-stage pipeline based on extensive preprocessing and data cleaning, semantic embedding and segmentation via SentenceTransformer, and skill extraction using a FAISS-based search method. The extracted skills are associated with occupation frameworks (as formulated in the ESCO ontology) and with learning paths offered through the Sustainable Development Goals Academy. Moreover, interactive visualization software, implemented with Dash and Plotly, presents graphs and tables for real-time exploration and informed decision-making by those involved in policymaking, training and learning supply, career transitions, and recruitment. Overall, this system, backed by rigorous validation, offers promising prospects for improved policymaking, human resource development, and lifelong learning by providing structured and actionable insights from raw, complex textual information.

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Spatio-Temporal (ST) data science, which includes sensing, managing, and mining large-scale data across space and time, is fundamental to understanding complex systems in domains such as urban computing, climate science, and intelligent transportation. Traditional deep learning approaches have significantly advanced this field, particularly in the stage of ST data mining. However, these models remain task-specific and often require extensive labeled data. Inspired by the success of Foundation Models (FM), especially large language models, researchers have begun exploring the concept of Spatio-Temporal Foundation Models (STFMs) to enhance adaptability and generalization across diverse ST tasks. Unlike prior architectures, STFMs empower the entire workflow of ST data science, ranging from data sensing, management, to mining, thereby offering a more holistic and scalable approach. Despite rapid progress, a systematic study of STFMs for ST data science remains lacking. This survey aims to provide a comprehensive review of STFMs, categorizing existing methodologies and identifying key research directions to advance ST general intelligence.

Queer people are often discussed as targets of bias, harm, or discrimination in research on generative AI. However, the specific ways that queer people engage with generative AI, and thus possible uses that support queer people, have yet to be explored. We conducted a workshop study with 13 queer artists, during which we gave participants access to GPT-4 and DALL-E 3 and facilitated group sensemaking activities. We found our participants struggled to use these models due to various normative values embedded in their designs, such as hyper-positivity and anti-sexuality. We describe various strategies our participants developed to overcome these models' limitations and how, nevertheless, our participants found value in these highly-normative technologies. Drawing on queer feminist theory, we discuss implications for the conceptualization of "state-of-the-art" models and consider how FAccT researchers might support queer alternatives.