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Vision-Language-Action (VLA) models often suffer from performance degradation under distribution shifts, as they struggle to learn generalized behavior representations across varying environments. While existing approaches attempt to…

Existing model-based processes for embedded real-time systems support the analysis of various non-functional properties, most notably schedulability, through model checking, simulation or other means. The analysis results are then used for…

Graph neural network (GNN) inference faces significant bottlenecks in preprocessing, which often dominate overall inference latency. We introduce AutoGNN, an FPGA-based accelerator designed to address these challenges by leveraging FPGA's…

Logical models offer a simple but powerful means to understand the complex dynamics of biochemical regulation, without the need to estimate kinetic parameters. However, even simple automata components can lead to collective dynamics that…

Biomedical networks (or graphs) are universal descriptors for systems of interacting elements, from molecular interactions and disease co-morbidity to healthcare systems and scientific knowledge. Advances in artificial intelligence,…

Direct B-Rep generation is increasingly important in CAD workflows, eliminating costly modeling sequence data and supporting complex features. A key challenge is modeling joint distribution of the misaligned geometry and topology. Existing…

Knowledge Graphs have been one of the fundamental methods for integrating heterogeneous data sources. Integrating heterogeneous data sources is crucial, especially in the biomedical domain, where central data-driven tasks such as drug…

Due to their quantitative nature, probabilistic programs pose non-trivial challenges for designing compositional and efficient program analyses. Many analyses for probabilistic programs rely on iterative approximation. This article presents…

The design of complex engineering systems is an often long and articulated process that highly relies on engineers' expertise and professional judgment. As such, the typical pitfalls of activities involving the human factor often manifest…

Biochemical reaction systems may be viewed as discrete event processes characterized by a number of states and state transitions. These systems may be modeled as state transition systems with transitions representing individual reaction…

Recently, symbolic computation and computer algebra systems have been successfully applied in systems biology, especially in chemical reaction network theory. One advantage of symbolic computation is its potential for qualitative answers to…

Physiologically Based Pharmacokinetic (PBPK) modeling is a key tool in drug development for predicting drug concentration dynamics across organs. Traditional PBPK approaches rely on ordinary differential equations with simplifying…

Recent advances in generative AI have accelerated the discovery of novel chemicals and materials. However, scaling these discoveries to industrial production remains a major bottleneck due to the synthesis gap -- the need to develop…

Direct numerical simulations of turbulent reacting flows involving millions of grid points and detailed chemical mechanisms with hundreds of species and thousands of reactions are computationally prohibitive. To address this challenge, we…

The Boundary representation (B-rep) format is the de-facto shape representation in computer-aided design (CAD) to model solid and sheet objects. Recent approaches to generating CAD models have focused on learning sketch-and-extrude modeling…

Molecular simulations are essential tools in computational chemistry, enabling the prediction and understanding of molecular interactions and thermodynamic properties of biomolecules. However, traditional force fields face significant…

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Motivation: Flow Injection Analysis coupled to High-Resolution Mass Spectrometry (FIA-HRMS) is a promising approach for high-throughput metabolomics. FIA-HRMS data, however, cannot be preprocessed with current software tools which rely on…

Graph Neural Networks (GNNs) have been widely adopted for their ability to compute expressive node representations in graph datasets. However, serving GNNs on large graphs is challenging due to the high communication, computation, and…

Modeling and predicting temporal point processes (TPPs) is critical in domains such as neuroscience, epidemiology, finance, and social sciences. We introduce the Spiking Dynamic Graph Network (SDGN), a novel framework that leverages the…