An official website of the United States government
This paper proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improve the modeling of physical processes. Specifically, we show that a PGRNN can improve prediction accuracy over that of physical models, while generating outputs consistent with physical laws, and achieving good generalizability. Standard RNNs, even when producing superior prediction accuracy, often produce physically inconsistent results and lack generalizability. We further enhance this approach by using a pre-training method that leverages the simulated data from a physics-based model to address the scarcity of observed data. Although we present and evaluate this methodology in the context of modeling the dynamics of temperature in lakes, it is applicable more widely to a range of scientific and engineering disciplines where mechanistic (also known as process-based) models are used, e.g., power engineering, climate science, materials science, computational chemistry, and biomedicine.
more »
« less
Physics-Guided Machine Learning for Scientific Discovery: An Application in Simulating Lake Temperature Profiles
Physics-based models are often used to study engineering and environmental systems. The ability to model these systems is the key to achieving our future environmental sustainability and improving the quality of human life. This article focuses on simulating lake water temperature, which is critical for understanding the impact of changing climate on aquatic ecosystems and assisting in aquatic resource management decisions. General Lake Model (GLM) is a state-of-the-art physics-based model used for addressing such problems. However, like other physics-based models used for studying scientific and engineering systems, it has several well-known limitations due to simplified representations of the physical processes being modeled or challenges in selecting appropriate parameters. While state-of-the-art machine learning models can sometimes outperform physics-based models given ample amount of training data, they can produce results that are physically inconsistent. This article proposes a physics-guided recurrent neural network model (PGRNN) that combines RNNs and physics-based models to leverage their complementary strengths and improves the modeling of physical processes. Specifically, we show that a PGRNN can improve prediction accuracy over that of physics-based models (by over 20% even with very little training data), while generating outputs consistent with physical laws. An important aspect of our PGRNN approach lies in its ability to incorporate the knowledge encoded in physics-based models. This allows training the PGRNN model using very few true observed data while also ensuring high prediction accuracy. Although we present and evaluate this methodology in the context of modeling the dynamics of temperature in lakes, it is applicable more widely to a range of scientific and engineering disciplines where physics-based (also known as mechanistic) models are used.
more »
« less
- Award ID(s):
- 1934721
- PAR ID:
- 10287165
- Date Published:
- Journal Name:
- ACM/IMS Transactions on Data Science
- Volume:
- 2
- Issue:
- 3
- ISSN:
- 2691-1922
- Page Range / eLocation ID:
- 1 to 26
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored to isolated and relatively simple tasks, which limits their applicability to complex systems involving multiple interacting processes and numerous influencing features. In this paper, we propose a Physics-Guided Foundation Model (PGFM) that combines pre-trained ML models and physics-based models and leverages their complementary strengths to improve the modeling of multiple coupled processes. To effectively conduct pre-training, we construct a simulated environmental system that encompasses a wide range of influencing features and various simulated variables generated by physics-based models. The model is pre-trained in this system to adaptively select important feature interactions guided by multi-task objectives. We then fine-tune the model for each specific task using true observations, while maintaining consistency with established physical theories, such as the principles of mass and energy conservation. We demonstrate the effectiveness of this methodology in modeling water temperature and dissolved oxygen dynamics in real-world lakes. The proposed PGFM is also broadly applicable to a range of scientific fields where physics-based models are being used.more » « less
-
Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored to isolated and relatively simple tasks, which lim- its their applicability to complex systems involving multiple interacting processes and numerous influencing features. In this paper, we propose a Physics-Guided Foundation Model (PGFM) that combines pre-trained ML models and physics- based models and leverages their complementary strengths to improve the modeling of multiple coupled processes. To effectively conduct pre-training, we construct a simulated en- vironmental system that encompasses a wide range of influ- encing features and various simulated variables generated by physics-based models. The model is pre-trained in this sys- tem to adaptively select important feature interactions guided by multi-task objectives. We then fine-tune the model for each specific task using true observations, while maintaining con- sistency with established physical theories, such as the prin- ciples of mass and energy conservation. We demonstrate the effectiveness of this methodology in modeling water temper- ature and dissolved oxygen dynamics in real-world lakes. The proposed PGFM is also broadly applicable to a range of sci- entific fields where physics-based models are being used.more » « less
-
Fish modeling in complex environments is critical for understanding drivers of population dynamics in aquatic systems. This paper proposes a Bayesian network method for modeling fish survival and growth over multiple connected rivers. Traditional fish survival models capture the effect of multiple environmental drivers (e.g., stream temperature, stream flow) by adding different variables, which increases model complexity and results in very long and impractical run times (i.e., weeks). We propose a coupled survival-growth model that leverages the observations from both sources simultaneously. It also integrates the Bayesian process into the neural network model to efficiently capture complex variable relationships in the system while also conforming to known survival processes used in existing fish models. To further reduce the performance disparity of fish body length across cohorts, we propose two approaches for enforcing fairness by the adjustment of training priorities and data augmentation. The results based on a real-world fish dataset collected in Massachusetts, US demonstrate that the proposed method can greatly improve prediction accuracy in modeling survival and body length compared to independent models on survival and growth, and effectively reduce the performance disparity across cohorts. The fish growth and movement patterns discovered by the proposed model are also consistent with prior studies in the same region, while vastly reducing run times and memory requirements.more » « less
-
Simulating the time evolution of physical systems is pivotal in many scientific and engineering problems. An open challenge in simulating such systems is their multi-resolution dynamics: a small fraction of the system is extremely dynamic, and requires very fine-grained resolution, while a majority of the system is changing slowly and can be modeled by coarser spatial scales. Typical learning-based surrogate models use a uniform spatial scale, which needs to resolve to the finest required scale and can waste a huge compute to achieve required accuracy. We introduced Learning controllable Adaptive simulation for Multiresolution Physics (LAMP) as the first full deep learning-based surrogate model that jointly learns the evolution model and optimizes appropriate spatial resolutions that devote more compute to the highly dynamic regions. LAMP consists of a Graph Neural Network (GNN) for learning the forward evolution, and a GNNbased actor-critic for learning the policy of spatial refinement and coarsening. We introduced learning techniques that optimize LAMP with weighted sum of error and computational cost as objective, allowing LAMP to adapt to varying relative importance of error vs. computation tradeoff at inference time. We evaluated our method in a 1D benchmark of nonlinear PDEs and a challenging 2D mesh-based simulation. We demonstrated that our LAMP outperforms state-of-the-art deep learning surrogate models, and can adaptively trade-off computation to improve long-term prediction error: it achieves an average of 33.7% error reduction for 1D nonlinear PDEs, and outperforms MeshGraphNets + classical Adaptive Mesh Refinement (AMR) in 2D mesh-based simulations.more » « less
- Free Publicly Accessible Full Text
-
Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1145/3447814
