相关论文: Hybridizing Physical and Data-driven Prediction Me…

Predicting the physico-chemical properties of pure substances and mixtures is a central task in thermodynamics. Established prediction methods range from fully physics-based ab-initio calculations, which are only feasible for very simple…

Building energy modeling is a key tool for optimizing the performance of building energy systems. Historically, a wide spectrum of methods has been explored -- ranging from conventional physics-based models to purely data-driven techniques.…

Accurate prediction of future agent trajectories is a critical challenge for ensuring safe and efficient autonomous navigation, particularly in complex urban environments characterized by multiple plausible future scenarios. In this paper,…

This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest…

We develop a novel data-driven approach to the inverse problem of classical statistical mechanics: given experimental data on the collective motion of a classical many-body system, how does one characterise the free energy landscape of that…

Activity coefficients, which are a measure of the non-ideality of liquid mixtures, are a key property in chemical engineering with relevance to modeling chemical and phase equilibria as well as transport processes. Although experimental…

A framework for probabilistic forecasting of vessel motion is developed and validated for a semisubmersible operating in long period swell. Bayesian statistical methods are applied to predictions of the heave response from a physics model…

Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…

With several advantages and as an alternative to predict physics field, machine learning methods can be classified into two distinct types: data-driven relying on training data and physics-driven using physics law. Choosing heat conduction…

Studying materials informatics from a data mining perspective can be beneficial for manufacturing and other industrial engineering applications. Predictive data mining technique and machine learning algorithm are combined to design a…

Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

We introduce a novel Bayesian hybrid matrix factorisation model (HMF) for data integration, based on combining multiple matrix factorisation methods, that can be used for in- and out-of-matrix prediction of missing values. The model is very…

A model-based approach to forecasting chaotic dynamical systems utilizes knowledge of the physical processes governing the dynamics to build an approximate mathematical model of the system. In contrast, machine learning techniques have…

Hematotoxicity, drug-induced damage to the blood-forming system, is a frequent side effect of cytotoxic chemotherapy and poses a significant challenge in clinical practice due to its high inter-patient variability and limited…

To understand and predict the performance of scientific applications, several analytical and machine learning approaches have been proposed, each having its advantages and disadvantages. In this paper, we propose and validate a hybrid…

The literature is rich with studies, analyses, and examples on parameter estimation for describing the evolution of chaotic dynamical systems based on measurements, even when only partial information is available through observations.…

Probabilistic regression techniques in control and robotics applications have to fulfill different criteria of data-driven adaptability, computational efficiency, scalability to high dimensions, and the capacity to deal with different…

Accurately predicting fluid dynamics and evolution has been a long-standing challenge in physical sciences. Conventional deep learning methods often rely on the nonlinear modeling capabilities of neural networks to establish mappings…

Data-driven approaches achieve remarkable results for the modeling of complex dynamics based on collected data. However, these models often neglect basic physical principles which determine the behavior of any real-world system. This…

We propose a methodology to generate hybrid machine learning models for the potential energy surface trained simultaneously on data from ab initio electronic structure calculations and on thermodynamic and/or structural observables from…