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Register a new userPrediction of dynamical systems using geometric constraints imposed by observations
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Added by
Saurabh Dixit
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Solution of Ordinary Differential Equation (ODE) model of dynamical system may not agree with its observed values. Often this discrepancy can be attributed to unmodeled forcings in the evolution rule of the dynamical system. In this article, an approach for data-based model improvement is described which exploits the geometric constraints imposed by the system observations to estimate these unmodeled terms. The nominal model is augmented using these extra forcing terms to make predictions. This approach is applied to navigational satellite orbit prediction to bring down the error to approximately 12% of the error when using the nominal force model for a 2-hour prediction. In another example improved temperature predictions over the nominal heat equation are obtained for one-dimensional conduction.
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Slender marine structures such as deep-water riser systems are continuously exposed to currents leading to vortex-induced vibrations (VIV) of the structure. This may result in amplified drag loads and fast accumulation of fatigue damage. Consequently, accurate prediction of VIV responses is of great importance for the safe design and operation of marine risers. Model tests with elastic pipes have shown that VIV responses are influenced by many structural and hydrodynamic parameters, which have not been fully modelled in present frequency domain VIV prediction tools. Traditionally, predictions have been computed using a single set of hydrodynamic parameters, often leading to inconsistent prediction accuracy when compared with observed field measurements and experimental data. Hence, it is necessary to implement a high safety factor of 10 - 20 in the riser design, which increases development cost and adds extra constraints in the field operation. One way to compensate for the simplifications in the mathematical prediction model is to apply adaptive parameters to describe different riser responses. The objective of this work is to demonstrate a new method to improve the prediction consistency and accuracy by applying adaptive hydrodynamic parameters. In the present work, a four-step approach has been proposed: First, the measured VIV response will be analysed to identify key parameters to represent the response characteristics. These parameters will be grouped using data clustering algorithms. Secondly, optimal hydrodynamic parameters will be identified for each data group by optimisation against measured data. Thirdly, the VIV response using the obtained parameters will be calculated and the prediction accuracy evaluated. The correct hydrodynamic parameters to be used for new cases can be obtained from the clustering. This concept has been demonstrated with examples from experimental data.
We propose a Molecular Hypergraph Convolutional Network (MolHGCN) that predicts the molecular properties of a molecule using the atom and functional group information as inputs. Molecules can contain many types of functional groups, which will affect the properties the molecules. For example, the toxicity of a molecule is associated with toxicophores, such as nitroaromatic groups and thiourea. Conventional graph-based methods that consider the pair-wise interactions between nodes are inefficient in expressing the complex relationship between multiple nodes in a graph flexibly, and applying multi-hops may result in oversmoothing and overfitting problems. Hence, we propose MolHGCN to capture the substructural difference between molecules using the atom and functional group information. MolHGCN constructs a hypergraph representation of a molecule using functional group information from the input SMILES strings, extracts hidden representation using a two-stage message passing process (atom and functional group message passing), and predicts the properties of the molecules using the extracted hidden representation. We evaluate the performance of our model using Tox21, ClinTox, SIDER, BBBP, BACE, ESOL, FreeSolv and Lipophilicity datasets. We show that our model is able to outperform other baseline methods for most of the datasets. We particularly show that incorporating functional group information along with atom information results in better separability in the latent space, thus increasing the prediction accuracy of the molecule property prediction.
Even though the traditional dynamical decoupling methods have the ability to resist dynamic dephasing caused by low frequency noise, they are not appropriate for suppressing the residual geometric dephasing, which arises from the disturbance for the geometric loop in the parameter space. This prevents the precision of quantum manipulation based geometric quantum gates from being promoted further. In this paper, we design two kinds of modified dynamical decoupling schemes to suppress the residual geometric dephasing. The further numerical simulation demonstrates the validity of our schemes.
Plant traits are a key to understanding and predicting the adaptation of ecosystems to environmental changes, which motivates the TRY project aiming at constructing a global database for plant traits and becoming a standard resource for the ecological community. Despite its unprecedented coverage, a large percentage of missing data substantially constrains joint trait analysis. Meanwhile, the trait data is characterized by the hierarchical phylogenetic structure of the plant kingdom. While factorization based matrix completion techniques have been widely used to address the missing data problem, traditional matrix factorization methods are unable to leverage the phylogenetic structure. We propose hierarchical probabilistic matrix factorization (HPMF), which effectively uses hierarchical phylogenetic information for trait prediction. We demonstrate HPMFs high accuracy, effectiveness of incorporating hierarchical structure and ability to capture trait correlation through experiments.
Computationally solving the equations of elasticity is a key component in many materials science and mechanics simulations. Phenomena such as deformation-induced microstructure evolution, microfracture, and microvoid nucleation are examples of applications for which accurate stress and strain fields are required. A characteristic feature of these simulations is that the problem domain is simple (typically a rectilinear representative volume element (RVE)), but the evolution of internal topological features is extremely complex. Traditionally, the finite element method (FEM) is used for elasticity calculations; FEM is nearly ubiquituous due to (1) its ability to handle meshes of complex geometry using isoparametric elements, and (2) the weak formulation which eschews the need for computation of second derivatives. However, variable topology problems (e.g. microstructure evolution) require either remeshing, or adaptive mesh refinement (AMR) - both of which can cause extensive overhead and limited scaling. Block-structured AMR (BSAMR) is a method for adaptive mesh refinement that exhibits good scaling and is well-suited for many problems in materials science. Here, it is shown that the equations of elasticity can be efficiently solved using BSAMR using the finite difference method. The boundary operator method is used to treat different types of boundary conditions, and the reflux-free method is introduced to efficiently and easily treat the coarse-fine boundaries that arise in BSAMR. Examples are presented that demonstrate the use of this method in a variety of cases relevant to materials science: Eshelby inclusions, fracture, and microstructure evolution. Reasonable scaling is demonstrated up to $sim$4000 processors with tens of millions of grid points, and good AMR efficiency is observed.
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