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Register a new userTheory-guided hard constraint projection (HCP): a knowledge-based data-driven scientific machine learning method
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Yuntian Chen
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Machine learning models have been successfully used in many scientific and engineering fields. However, it remains difficult for a model to simultaneously utilize domain knowledge and experimental observation data. The application of knowledge-based symbolic AI represented by an expert system is limited by the expressive ability of the model, and data-driven connectionism AI represented by neural networks is prone to produce predictions that violate physical mechanisms. In order to fully integrate domain knowledge with observations, and make full use of the prior information and the strong fitting ability of neural networks, this study proposes theory-guided hard constraint projection (HCP). This model converts physical constraints, such as governing equations, into a form that is easy to handle through discretization, and then implements hard constraint optimization through projection. Based on rigorous mathematical proofs, theory-guided HCP can ensure that model predictions strictly conform to physical mechanisms in the constraint patch. The performance of the theory-guided HCP is verified by experiments based on the heterogeneous subsurface flow problem. Due to the application of hard constraints, compared with fully connected neural networks and soft constraint models, such as theory-guided neural networks and physics-informed neural networks, theory-guided HCP requires fewer data, and achieves higher prediction accuracy and stronger robustness to noisy observations.
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The design of efficient and generic algorithms for solving combinatorial optimization problems has been an active field of research for many years. Standard exact solving approaches are based on a clever and complete enumeration of the solution set. A critical and non-trivial design choice with such methods is the branching strategy, directing how the search is performed. The last decade has shown an increasing interest in the design of machine learning-based heuristics to solve combinatorial optimization problems. The goal is to leverage knowledge from historical data to solve similar new instances of a problem. Used alone, such heuristics are only able to provide approximate solutions efficiently, but cannot prove optimality nor bounds on their solution. Recent works have shown that reinforcement learning can be successfully used for driving the search phase of constraint programming (CP) solvers. However, it has also been shown that this hybridization is challenging to build, as standard CP frameworks do not natively include machine learning mechanisms, leading to some sources of inefficiencies. This paper presents the proof of concept for SeaPearl, a new CP solver implemented in Julia, that supports machine learning routines in order to learn branching decisions using reinforcement learning. Support for modeling the learning component is also provided. We illustrate the modeling and solution performance of this new solver on two problems. Although not yet competitive with industrial solvers, SeaPearl aims to provide a flexible and open-source framework in order to facilitate future research in the hybridization of constraint programming and machine learning.
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