相关论文: Modular model building

How can the complexity of ML-enabled systems be managed effectively? The goal of this research is to investigate how complexity affects ML-Enabled Systems (MLES). To address this question, this research aims to introduce a metrics-based…

Mathematical models are vital to the field of metrology, playing a key role in the derivation of measurement results and the calculation of uncertainties from measurement data, informed by an understanding of the measurement process. These…

Identifiability concerns finding which unknown parameters of a model can be estimated from given input-output data. If some subset of the parameters of a model cannot be determined given input-output data, then we say the model is…

Modular programming is a development paradigm that emphasizes self-contained, flexible, and independent pieces of functionality. This practice allows new features to be seamlessly added when desired, and unwanted features to be removed,…

In several applications, including in synthetic biology, one often has input/output data on a system composed of many modules, and although the modules' input/output functions and signals may be unknown, knowledge of the composition…

Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical…

The fields of neural computation and artificial neural networks have developed much in the last decades. Most of the works in these fields focus on implementing and/or learning discrete functions or behavior. However, technical, physical,…

Energy systems optimisation models are a leading tool for informing decisions in the energy transition. However, these models often remain opaque, and results are frequently presented without a clear discussion of their epistemic…

Drug discovery aims to find novel compounds with specified chemical property profiles. In terms of generative modeling, the goal is to learn to sample molecules in the intersection of multiple property constraints. This task becomes…

Requirements engineering plays a critical role in developing software systems. One of the most difficult tasks in this process is identifying functional requirements. A critical problem in many projects is missing requirements until late in…

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

Building software-driven systems that are easily understood becomes a challenge, with their ever-increasing complexity and autonomy. Accordingly, recent research efforts strive to aid in designing explainable systems. Nevertheless, a common…

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…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

This paper is an invitation to the process systems engineering community to change the paradigm for process plants. The goal is to achieve much easier convergence while retaining accuracy on par with the rigorous models. Accurate plant…

The development of large language models (LLMs) is limited by a lack of explainability, the absence of a unifying theory, and prohibitive operational costs. We propose a neuro-theoretical framework for the emergence of intelligence in…

Reliable predictions from systems biology models require knowing whether parameters can be estimated from available data, and with what certainty. Identifiability analysis reveals whether parameters are learnable in principle (structural…

Advances in robotic automation, high-performance computing (HPC), and artificial intelligence (AI) encourage us to conceive of science factories: large, general-purpose computation- and AI-enabled self-driving laboratories (SDLs) with the…

Transforming constraint models is an important task in re- cent constraint programming systems. User-understandable models are defined during the modeling phase but rewriting or tuning them is manda- tory to get solving-efficient models. We…

Emerging computational paradigms, such as probabilistic and hybrid programming, introduce new primitive operations that often need to be combined with classic programming constructs. However, it still remains a challenge to provide a…