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Patrick M. Boyle

Publications and source records attributed to Patrick M. Boyle.

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BioSecBench-Refusal: A paired metric for performance and alignment in agentic biosecurity risk assessment

As AI agents are incorporated into life science workflows, the capabilities that speed discovery might also enable misuse. We present BioSecBench-Refusal, a benchmark for risk identification and refusal behavior for biological research tasks. The benchmark pairs 61 Routine tasks, legitimate analyses adapted from the published literature, with 46 Red-Team tasks, fictional scenarios that resemble real research but conceal a biosecurity hazard. Across 16 model-harness configurations, refusal rates ranged from 7 percent to 74 percent on Routine tasks and 1 percent to 62 percent on Red-Team tasks, with many configurations refusing legitimate Routine work at comparable or higher rates than concealed hazards. Refusals were most often triggered by provider API filters applied prior to agentic reasoning. However, models given room to reason showed the potential to identify more real threats. We release BioSecBench-Refusal as a tool for model developers to calibrate capability and caution for agentic biotech research and development.

cs.CR

From FAIR to CURE: Guidelines for Computational Models of Biological Systems

Guidelines for managing scientific data have been established under the FAIR principles requiring that data be Findable, Accessible, Interoperable, and Reusable. In many scientific disciplines, especially computational biology, both data and models are key to progress. For this reason, and recognizing that such models are a very special type of 'data', we argue that computational models, especially mechanistic models prevalent in medicine, physiology and systems biology, deserve a complementary set of guidelines. We propose the CURE principles, emphasizing that models should be Credible, Understandable, Reproducible, and Extensible. We delve into each principle, discussing verification, validation, and uncertainty quantification for model credibility; the clarity of model descriptions and annotations for understandability; adherence to standards and open science practices for reproducibility; and the use of open standards and modular code for extensibility and reuse. We outline recommended and baseline requirements for each aspect of CURE, aiming to enhance the impact and trustworthiness of computational models, particularly in biomedical applications where credibility is paramount. Our perspective underscores the need for a more disciplined approach to modeling, aligning with emerging trends such as Digital Twins and emphasizing the importance of data and modeling standards for interoperability and reuse. Finally, we emphasize that given the non-trivial effort required to implement the guidelines, the community moves to automate as many of the guidelines as possible.

q-bio.OT

Reduced-order models of wall shear stress patterns in the left atrial appendage from a data-augmented atrial database

Background: Atrial fibrillation (AF) is the most common sustained cardiac arrhythmia, affecting over 1% of the population. It is usually triggered by irregular electrical impulses that cause the atria to contract irregularly and ineffectively. It increases blood stasis and the risk of thrombus formation within the left atrial appendage (LAA) and aggravates adverse atrial remodeling. Despite recent efforts, LAA flow patterns representative of AF conditions and their association with LAA stasis remain poorly characterized. Aim: To develop reduced-order data-driven models of LAA flow patterns during atrial remodeling in order to uncover flow disturbances concurrent with LAA stasis that could add granularity to clinical decision criteria. Methods: We combined a geometric data augmentation process with projection of results from 180 CFD atrial simulations on a universal LAA coordinate (ULAAC) system. The projection approach enhances data visualization and facilitates direct comparison between different anatomical and functional states. ULAAC projections were used as input for a proper orthogonal decomposition (POD) algorithm to build reduced-order models of hemodynamic metrics, extracting flow characteristics associated with AF and non-AF anatomies. Results: We verified that the ULAAC system provides an adequate representation to visualize data distributions on the LAA surface and to build POD-based reduced-order models. These models revealed significant differences in LAA flow patterns for atrial geometries that underwent adverse atrial remodeling and experienced elevated blood stasis. Together with anatomical morphing-based patient-specific data augmentation, this approach could facilitate data-driven analyses to identify flow features associated with thrombosis risk due to atrial remodeling.

physics.med-ph