We consider the task of solving generic inverse problems, where one wishes to determine the hidden parameters of a natural system that will give rise to a particular set of measurements. Recently many new approaches based upon deep learning have arisen, generating promising results.

We find that the addition of a simple novel loss term - which we term the boundary loss - dramatically improves the NA's

Efficient real-time solvers for forward and inverse problems are essential in engineering and science applications. Machine learning surrogate models have emerged as promising alternatives to traditional methods, offering substantially reduced computational time. Nevertheless, these models typically demand extensive training datasets to achieve robust generalization across diverse scenarios. While physics-based approaches can partially mitigate this data dependency and ensure physics-interpretable solutions, addressing scarce data regimes remains a challenge. Both purely data-driven and physics-based machine learning approaches demonstrate severe overfitting issues when trained with insufficient data. We propose a novel Tikhonov autoencoder model-constrained framework, called TAE, capable of learning both forward and inverse surrogate models using a single arbitrary observation sample. We develop comprehensive theoretical foundations including forward and inverse inference error bounds for the proposed approach for linear cases. For comparative analysis, we derive equivalent formulations for pure data-driven and model-constrained approach counterparts. At the heart of our approach is a data randomization strategy, which functions as a generative mechanism for exploring the training data space, enabling effective training of both forward and inverse surrogate models from a single observation, while regularizing the learning process. We validate our approach through extensive numerical experiments on two challenging inverse problems: 2D heat conductivity inversion and initial condition reconstruction for time-dependent 2D Navier-Stokes equations. Results demonstrate that TAE achieves accuracy comparable to traditional Tikhonov solvers and numerical forward solvers for both inverse and forward problems, respectively, while delivering orders of magnitude computational speedups.

In this work, we have developed a variational Bayesian inference theory of elasticity, which is accomplished by using a mixed Variational Bayesian inference Finite Element Method (VBI-FEM) that can be used to solve the inverse deformation problems of continua. In the proposed variational Bayesian inference theory of continuum mechanics, the elastic strain energy is used as a prior in a Bayesian inference network, which can intelligently recover the detailed continuum deformation mappings with only given the information on the deformed and undeformed continuum body shapes without knowing the interior deformation and the precise actual boundary conditions, both traction as well as displacement boundary conditions, and the actual material constitutive relation. Moreover, we have implemented the related finite element formulation in a computational probabilistic mechanics framework. To numerically solve mixed variational problem, we developed an operator splitting or staggered algorithm that consists of the finite element (FE) step and the Bayesian learning (BL) step as an analogue of the well-known the Expectation-Maximization (EM) algorithm. By solving the mixed probabilistic Galerkin variational problem, we demonstrated that the proposed method is able to inversely predict continuum deformation mappings with strong discontinuity or fracture without knowing the external load conditions. The proposed method provides a robust machine intelligent solution for the long-sought-after inverse problem solution, which has been a major challenge in structure failure forensic pattern analysis in past several decades. The proposed method may become a promising artificial intelligence-based inverse method for solving general partial differential equations.

We consider the task of solving generic inverse problems, where one wishes to determine the hidden parameters of a natural system that will give rise to a particular set of measurements. Recently many new approaches based upon deep learning have arisen, generating promising results. As a result, the accuracy of each approach should be evaluated as a function of time rather than a single estimated solution, as is often done now. Using this metric, we compare several state-of-the-art inverse modeling approaches on four benchmark tasks: two existing tasks, a new 2-dimensional sinusoid task, and a challenging modern task of meta-material design. Finally, inspired by our conception of the inverse problem, we explore a simple solution that uses a deep neural network as a surrogate (i.e., approximation) for the forward model, and then uses backpropagation with respect to the model input to search for good inverse solutions.

MEG are non invasive neuroimaging techniques with excellent temporal and spatial resolution, crucial for studying brain function in dementia and Alzheimer Disease. They identify changes in brain activity at various Alzheimer stages, including preclinical and prodromal phases. MEG may detect pathological changes before clinical symptoms, offering potential biomarkers for intervention. This study evaluates classification techniques using MEG features to distinguish between healthy controls and mild cognitive impairment participants from the BioFIND study. We compare MEG based biomarkers with MRI based anatomical features, both independently and combined. We used 3 Tesla MRI and MEG data from 324 BioFIND participants;158 MCI and 166 HC. Analyses were performed using MATLAB with SPM12 and OSL toolboxes. Machine learning analyses, including 100 Monte Carlo replications of 10 fold cross validation, were conducted on sensor and source spaces. Combining MRI with MEG features achieved the best performance; 0.76 accuracy and AUC of 0.82 for GLMNET using LCMV source based MEG. MEG only analyses using LCMV and eLORETA also performed well, suggesting that combining uncorrected MEG with z-score-corrected MRI features is optimal.

This paper addresses the planar finger kinematics for seeking optimized manipulation strategies. The first step is to model based on geometric features of linear and rotation motion so that the robot can select the fingers configurations. This kinematic model considers the motion between hands and object. Based on 2-finger manipulation cases, this model can output the strategies for bimanual manipulation. For executing strategies, the second step is to seek the appropriate values of finger joints according to the ending orientation of fingers. The simulation shows that the computed solutions can complete the relative rotation and linear motion of unknown objects.

In the scope of "AI for Science", solving inverse problems is a longstanding challenge in materials and drug discovery, where the goal is to determine the hidden structures given a set of desirable properties. Deep generative models are recently proposed to solve inverse problems, but these currently use expensive forward operators and struggle in precisely localizing the exact solutions and fully exploring the parameter spaces without missing solutions. In this work, we propose a novel approach (called iPage) to accelerate the inverse learning process by leveraging probabilistic inference from deep invertible models and deterministic optimization via fast gradient descent. Given a target property, the learned invertible model provides a posterior over the parameter space; we identify these posterior samples as an intelligent prior initialization which enables us to narrow down the search space. We then perform gradient descent to calibrate the inverse solutions within a local region. Meanwhile, a space-filling sampling is imposed on the latent space to better explore and capture all possible solutions. We evaluate our approach on three benchmark tasks and two created datasets with real-world applications from quantum chemistry and additive manufacturing, and find our method achieves superior performance compared to several state-of-the-art baseline methods. The iPage code is available at https://github.com/jxzhangjhu/MatDesINNe.

Prior knowledge about the imaging physics provides a mechanistic forward operator that plays an important role in image reconstruction, although myriad sources of possible errors in the operator could negatively impact the reconstruction solutions. In this work, we propose to embed the traditional mechanistic forward operator inside a neural function, and focus on modeling and correcting its unknown errors in an interpretable manner. This is achieved by a conditional generative model that transforms a given mechanistic operator with unknown errors, arising from a latent space of self-organizing clusters of potential sources of error generation. Once learned, the generative model can be used in place of a fixed forward operator in any traditional optimization-based reconstruction process where, together with the inverse solution, the error in prior mechanistic forward operator can be minimized and the potential source of error uncovered. We apply the presented method to the reconstruction of heart electrical potential from body surface potential. In controlled simulation experiments and in-vivo real data experiments, we demonstrate that the presented method allowed reduction of errors in the physics-based forward operator and thereby delivered inverse reconstruction of heart-surface potential with increased accuracy.