In recent years, dynamic agent-based population models, which model every inhabitant of a country as a statistically representative agent, have been gaining in popularity for decision support. This is mainly due to their high degree of flexibility with respect to their area of application. GEPOC ABM is one of these models. Developed in 2015, it is now a well-established decision support tool and has been successfully applied for a wide range of population-level research questions ranging from health-care to logistics. At least in part, this success is attributable to continuous improvement and development of new methods. While some of these are very application- or implementation-specific, others can be well transferred to other population models. The focus of the present work lies on the presentation of three selected transferable innovations. We illustrate an innovative time-update concept for the individual agents, a co-simulation-inspired simulation strategy, and a strategy for accurate model parametrisation. We describe these methods in a reproducible manner, explain their advantages and provide ideas on how they can be transferred to other population models.

GEPOC, short for Generic Population Concept, is a collection of models and methods for analysing population-level research questions. For the valid application of the models for a specific country or region, stable and reproducible data processes are necessary, which provide valid and ready-to-use model parameters. This work contains a complete description of the data-processing methods for computation of model parameters for Austria, based exclusively on freely and publicly accessible data. In addition to the description of the source data used, this includes all algorithms used for aggregation, disaggregation, fusion, cleansing or scaling of the data, as well as a description of the resulting parameter files. The document places particular emphasis on the computation of parameters for the most important GEPOC model, GEPOC ABM, a continuous-time agent-based population model. An extensive validation study using this particular model was made and is presented at the end of this work.

Shapley values have several desirable, theoretically well-supported, properties for explaining black-box model predictions. Traditionally, Shapley values are computed post-hoc, leading to additional computational cost at inference time. To overcome this, a novel method, called ViaSHAP, is proposed, that learns a function to compute Shapley values, from which the predictions can be derived directly by summation. Two approaches to implement the proposed method are explored; one based on the universal approximation theorem and the other on the Kolmogorov-Arnold representation theorem. Results from a large-scale empirical investigation are presented, showing that ViaSHAP using Kolmogorov-Arnold Networks performs on par with state-of-the-art algorithms for tabular data. It is also shown that the explanations of ViaSHAP are significantly more accurate than the popular approximator FastSHAP on both tabular data and images.

Quantitative Structure-Activity Relationship ( QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing QSAR techniques through Quantum Support Vector Machines ( QSVMs), which leverage quantum computing principles to process information in Hilbert spaces. By using quantum data encoding and quantum kernel functions, we aim to develop more accurate and efficient predictive models.

Recent advances in artificial intelligence, particularly large language models LLMs, have shown promising capabilities in transforming rare disease research. This survey paper explores the integration of LLMs in the analysis of rare diseases, highlighting significant strides and pivotal studies that leverage textual data to uncover insights and patterns critical for diagnosis, treatment, and patient care. While current research predominantly employs textual data, the potential for multimodal data integration combining genetic, imaging, and electronic health records stands as a promising frontier. We review foundational papers that demonstrate the application of LLMs in identifying and extracting relevant medical information, simulating intelligent conversational agents for patient interaction, and enabling the formulation of accurate and timely diagnoses. Furthermore, this paper discusses the challenges and ethical considerations inherent in deploying LLMs, including data privacy, model transparency, and the need for robust, inclusive data sets. As part of this exploration, we present a section on experimentation that utilizes multiple LLMs alongside structured questionnaires, specifically designed for diagnostic purposes in the context of different diseases. We conclude with future perspectives on the evolution of LLMs towards truly multimodal platforms, which would integrate diverse data types to provide a more comprehensive understanding of rare diseases, ultimately fostering better outcomes in clinical settings.

The scarcity of high-quality multimodal biomedical data limits the ability to effectively fine-tune pretrained Large Language Models (LLMs) for specialized biomedical tasks. To address this challenge, we introduce MINT (Multimodal Integrated kNowledge Transfer), a framework that aligns unimodal large decoder models with domain-specific decision patterns from multimodal biomedical data through preference optimization. While MINT supports different optimization techniques, we primarily implement it with the Odds Ratio Preference Optimization (ORPO) framework as its backbone. This strategy enables the aligned LLMs to perform predictive tasks using text-only or image-only inputs while retaining knowledge learnt from multimodal data. MINT leverages an upstream multimodal machine learning (MML) model trained on high-quality multimodal data to transfer domain-specific insights to downstream text-only or image-only LLMs. We demonstrate its effectiveness through two key applications: (1) Rare genetic disease prediction from texts, where MINT uses a multimodal encoder model, trained on facial photos and clinical notes, to generate a preference dataset for aligning a lightweight Llama 3.2-3B-Instruct. Despite relying on text input only, the MINT-derived model outperforms models trained with SFT, RAG, or DPO, and even outperforms Llama 3.1-405B-Instruct. (2) Tissue type classification using cell nucleus images, where MINT uses a vision-language foundation model as the preference generator, containing knowledge learnt from both text and histopathological images to align downstream image-only models. The resulting MINT-derived model significantly improves the performance of Llama 3.2-Vision-11B-Instruct on tissue type classification. In summary, MINT provides an effective strategy to align unimodal LLMs with high-quality multimodal expertise through preference optimization.

Background and Context. The increasing integration of large language models (LLMs) in computing education presents an emerging challenge in understanding how students use LLMs and craft prompts to solve computational tasks. Prior research has used both qualitative and quantitative methods to analyze prompting behavior, but these approaches lack scalability or fail to effectively capture the semantic evolution of prompts. Objective. In this paper, we investigate whether students prompts can be systematically analyzed using propositional logic constraints. We examine whether this approach can identify patterns in prompt evolution, detect struggling students, and provide insights into effective and ineffective strategies. Method. We introduce Prompt2Constraints, a novel method that translates students prompts into logical constraints. The constraints are able to represent the intent of the prompts in succinct and quantifiable ways. We used this approach to analyze a dataset of 1,872 prompts from 203 students solving introductory programming tasks. Findings. We find that while successful and unsuccessful attempts tend to use a similar number of constraints overall, when students fail, they often modify their prompts more significantly, shifting problem-solving strategies midway. We also identify points where specific interventions could be most helpful to students for refining their prompts. Implications. This work offers a new and scalable way to detect students who struggle in solving natural language programming tasks. This work could be extended to investigate more complex tasks and integrated into programming tools to provide real-time support.

Recent advancements in information availability and computational capabilities have transformed the analysis of annual reports, integrating traditional financial metrics with insights from textual data. To extract valuable insights from this wealth of textual data, automated review processes, such as topic modeling, are crucial. This study examines the effectiveness of BERTopic, a state-of-the-art topic model relying on contextual embeddings, for analyzing Item 7 and Item 7A of 10-K filings from S&P 500 companies (2016-2022). Moreover, we introduce FinTextSim, a finetuned sentence-transformer model optimized for clustering and semantic search in financial contexts. Compared to all-MiniLM-L6-v2, the most widely used sentence-transformer, FinTextSim increases intratopic similarity by 81% and reduces intertopic similarity by 100%, significantly enhancing organizational clarity. We assess BERTopic's performance using embeddings from both FinTextSim and all-MiniLM-L6-v2. Our findings reveal that BERTopic only forms clear and distinct economic topic clusters when paired with FinTextSim's embeddings. Without FinTextSim, BERTopic struggles with misclassification and overlapping topics. Thus, FinTextSim is pivotal for advancing financial text analysis. FinTextSim's enhanced contextual embeddings, tailored for the financial domain, elevate the quality of future research and financial information. This improved quality of financial information will enable stakeholders to gain a competitive advantage, streamlining resource allocation and decision-making processes. Moreover, the improved insights have the potential to leverage business valuation and stock price prediction models.

Medical benchmark datasets significantly contribute to developing Large Language Models (LLMs) for medical knowledge extraction, diagnosis, summarization, and other uses. Yet, current benchmarks are mainly derived from exam questions given to medical students or cases described in the medical literature, lacking the complexity of real-world patient cases that deviate from classic textbook abstractions. These include rare diseases, uncommon presentations of common diseases, and unexpected treatment responses. Here, we construct Clinically Uncommon Patient Cases and Diagnosis Dataset (CUPCase) based on 3,562 real-world case reports from BMC, including diagnoses in open-ended textual format and as multiple-choice options with distractors. Using this dataset, we evaluate the ability of state-of-the-art LLMs, including both general-purpose and Clinical LLMs, to identify and correctly diagnose a patient case, and test models' performance when only partial information about cases is available. Our findings show that general-purpose GPT-4o attains the best performance in both the multiple-choice task (average accuracy of 87.9%) and the open-ended task (BERTScore F1 of 0.764), outperforming several LLMs with a focus on the medical domain such as Meditron-70B and MedLM-Large. Moreover, GPT-4o was able to maintain 87% and 88% of its performance with only the first 20% of tokens of the case presentation in multiple-choice and free text, respectively, highlighting the potential of LLMs to aid in early diagnosis in real-world cases. CUPCase expands our ability to evaluate LLMs for clinical decision support in an open and reproducible manner.

The paper explores the challenges of regression analysis in evolving data streams, an area that remains relatively underexplored compared to classification. We propose a standardized evaluation process for regression and prediction interval tasks in streaming contexts. Additionally, we introduce an innovative drift simulation strategy capable of synthesizing various drift types, including the less-studied incremental drift. Comprehensive experiments with state-of-the-art methods, conducted under the proposed process, validate the effectiveness and robustness of our approach.