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The complexity of molecular and cellular processes forces experimental studies to focus on subsystems. To study the functioning of biological systems across levels of structural and functional organisation, we require tools to compose and…
The syntactic nature and compositionality characteristic of stochastic process algebras make models to be easily understood by human beings, but not convenient for machines as well as people to directly carry out mathematical analysis and…
We develop Process Execution Graphs (PEG), a document-level representation of real-world wet lab biochemistry protocols, addressing challenges such as cross-sentence relations, long-range coreference, grounding, and implicit arguments. We…
The vast majority of biochemical systems involve the exchange of information between different compartments, either in the form of transportation or via the intervention of membrane proteins which are able to transmit stimuli between…
Delays in biological systems may be used to model events for which the underlying dynamics cannot be precisely observed, or to provide abstraction of some behavior of the system resulting more compact models. In this paper we enrich the…
The relationship between components of biochemical network and the resulting dynamics of the overall system is a key focus of computational biology. However, as these networks and resulting mathematical models are inherently complex and…
Product Engineering Processes (PEPs) are used for describing complex product developments in big enterprises such as automotive and avionics industries. The Business Process Model Notation (BPMN) is a widely used language to encode…
The mathematical formalisms used to model biological systems induce both latent and ambiguous assumptions that can limit or distort their representational capabilities. Developing formalisms that can represent systems more precisely is…
To advance formal verification of stochastic systems against temporal logic requirements for handling unknown dynamics, researchers have been designing data-driven approaches inspired by breakthroughs in the underlying machine learning…
Motivation: Modeling biological signaling networks using ordinary differential equations (ODEs) has proven to be a powerful technique for generating insight into cellular dynamics, but it typically requires estimating rate parameters based…
Stochastic modelling provides an indispensable tool for understanding how random events at the molecular level influence cellular functions. In practice, the common challenge is to calibrate a large number of model parameters against the…
Prescriptive Performance Analysis (PPA) has shown to be more useful than traditional descriptive and diagnostic analyses for making sense of Big Data (BD) frameworks' performance. In practice, when processing large (RDF) graphs on top of…
Laboratory workflows in pharmaceutical and biomedical research encode substantial tacit knowledge -- expert judgment about failure conditions, decision branching logic, and contextual dependencies -- that remains inaccessible to protocol…
New products must be formulated rapidly to succeed in the global formulated product market; however, key product indicators (KPIs) can be complex, poorly understood functions of the chemical composition and processing history. Consequently,…
Joint-Embedding Predictive Architectures (JEPAs) have recently emerged as a novel and powerful technique for self-supervised representation learning. They aim to learn an energy-based model by predicting the latent representation of a…
The transparency of deep learning models is essential for clinical diagnostics. Concept Bottleneck Model provides clear decision-making processes for diagnosis by transforming the latent space of black-box models into human-understandable…
Compositionality is a key feature of process algebras which is often cited as one of their advantages as a modelling technique. It is certainly true that in biochemical systems, as in many other systems, model construction is made easier in…
With the increasing attention to molecular machine learning, various innovations have been made in designing better models or proposing more comprehensive benchmarks. However, less is studied on the data preprocessing schedule for molecular…
Gaussian processes (GPs) provide a principled Bayesian framework for uncertainty estimation, but their computational complexity severely limits scalability to large datasets. We propose SIKA-GP, which accelerates GP inference using sparse…
This study introduces the concept of finite element network analysis (FENA) which is a physics-informed, machine-learning-based, computational framework for the simulation of complex physical systems. The framework leverages the extreme…