相关论文: A CRISP approach to QSP: XAI enabling fit-for-purp…

In model predictive control (MPC) for hybrid systems, solving optimization problems efficiently and with guarantees on worst-case computational complexity is critical to satisfy the real-time constraints in these applications. These…

Scene Text Recognition requires modeling visual structures that evolve from coarse layouts to fine-grained character strokes. Training such models relies on large amounts of annotated data. Recent self-supervised approaches, such as Masked…

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…

Precision medicine aims to tailor therapeutic decisions to individual patient characteristics. This objective is commonly formalized through dynamic treatment regimes, which use statistical and machine learning methods to derive sequential…

In recent years, a few multiple-resolution modelling strategies have been proposed, in which functionally relevant parts of a biomolecule are described with atomistic resolution, while the remainder of the system is concurrently treated…

Parameter Recombination (PR) methods aim to efficiently compose the weights of a neural network for applications like Parameter-Efficient FineTuning (PEFT) and Model Compression (MC), among others. Most methods typically focus on one…

Training large language models (LLMs) efficiently while preserving model quality poses significant challenges, particularly with subbyte precision supported by state-of-the-art GPUs. Current mixed-precision training approaches either apply…

In this paper, we propose a novel system that integrates state-of-the-art, domain-specific large language models with advanced information retrieval techniques to deliver comprehensive and context-aware responses. Our approach facilitates…

A brain-computer interface (BCI) system enables direct communication between the brain and external devices, offering significant potential for assistive technologies and advanced human-computer interaction. Despite progress, BCI systems…

Statistical Shape Modeling (SSM) effectively analyzes anatomical variations within populations but is limited by the need for manual localization and segmentation, which relies on scarce medical expertise. Recent advances in deep learning…

This article provides recommendations for implementing quantitative susceptibility mapping (QSM) for clinical brain research. It is a consensus of the ISMRM Electro-Magnetic Tissue Properties Study Group. While QSM technical development…

Quantitative susceptibility mapping (QSM) is a valuable magnetic resonance imaging (MRI) contrast mechanism that has demonstrated broad clinical applications. However, the image reconstruction of QSM is challenging due to its ill-posed…

We show that two widely accepted model reduction techniques, Balanced Truncation and Balanced Singular Perturbation Approximation, can be derived as limiting approximations of a carefully constructed parameterization of Linear Time…

Calibrating mathematical models of biological processes is essential for achieving predictive accuracy and gaining mechanistic insight. However, this task remains challenging due to limited and noisy data, significant biological…

Unpacking and comprehending how black-box machine learning algorithms make decisions has been a persistent challenge for researchers and end-users. Explaining time-series predictive models is useful for clinical applications with high…

In critical decision support systems based on medical imaging, the reliability of AI-assisted decision-making is as relevant as predictive accuracy. Although deep learning models have demonstrated significant accuracy, they frequently…

Reliable uncertainty quantification (UQ) is essential for developing machine-learned interatomic potentials (MLIPs) in predictive atomistic simulations. Conformal prediction (CP) is a statistical framework that constructs prediction…

The special quasirandom structure (SQS) method is widely used for modeling disordered materials under periodic boundary conditions, with the ATAT mcsqs module being one of the most established implementations. However, SQS generation with…

The study of biomolecular folding has been greatly advanced by single-molecule force spectroscopy (SMFS), which enables the observation of the dynamics of individual molecules. However, extracting quantitative models of fundamental…

Sampling problems have emerged as a central avenue for demonstrating quantum advantage on noisy intermediate-scale quantum devices. However, physical noise can fundamentally alter their computational complexity, often making them…