A Graph-Space Optimal Transport Approach Based on Kaniadakis κ-Gaussian Distribution for Inverse Problems Related to Wave Propagation.

Data-centric inverse problems are a process of inferring physical attributes from indirect measurements. Full-waveform inversion (FWI) is a non-linear inverse problem that attempts to obtain a quantitative physical model by comparing the wave equation solution with observed data, optimizing an objective function. However, the FWI is strenuously dependent on a robust objective function, especially for dealing with cycle-skipping issues and non-Gaussian noises in the dataset. In this work, we present an objective function based on the Kaniadakis κ-Gaussian distribution and the optimal transport (OT) theory to mitigate non-Gaussian noise effects and phase ambiguity concerns that cause cycle skipping. We construct the κ-objective function using the probabilistic maximum likelihood procedure and include it within a well-posed version of the original OT formulation, known as the Kantorovich-Rubinstein metric. We represent the data in the graph space to satisfy the probability axioms required by the Kantorovich-Rubinstein framework. We call our proposal the κ-Graph-Space Optimal Transport FWI (κ-GSOT-FWI). The results suggest that the κ-GSOT-FWI is an effective procedure to circumvent the effects of non-Gaussian noise and cycle-skipping problems. They also show that the Kaniadakis κ-statistics significantly improve the FWI objective function convergence, resulting in higher-resolution models than classical techniques, especially when κ=0.6.

Generalized statistics: Applications to data inverse problems with outlier-resistance.

The conventional approach to data-driven inversion framework is based on Gaussian statistics that presents serious difficulties, especially in the presence of outliers in the measurements. In this work, we present maximum likelihood estimators associated with generalized Gaussian distributions in the context of Rényi, Tsallis and Kaniadakis statistics. In this regard, we analytically analyze the outlier-resistance of each proposal through the so-called influence function. In this way, we formulate inverse problems by constructing objective functions linked to the maximum likelihood estimators. To demonstrate the robustness of the generalized methodologies, we consider an important geophysical inverse problem with high noisy data with spikes. The results reveal that the best data inversion performance occurs when the entropic index from each generalized statistic is associated with objective functions proportional to the inverse of the error amplitude. We argue that in such a limit the three approaches are resistant to outliers and are also equivalent, which suggests a lower computational cost for the inversion process due to the reduction of numerical simulations to be performed and the fast convergence of the optimization process.

Full-waveform inversion based on generalized Rényi entropy using patched Green's function techniques.

The estimation of physical parameters from data analyses is a crucial process for the description and modeling of many complex systems. Based on Rényi α-Gaussian distribution and patched Green's function (PGF) techniques, we propose a robust framework for data inversion using a wave-equation based methodology named full-waveform inversion (FWI). From the assumption that the residual seismic data (the difference between the modeled and observed data) obeys the Rényi α-Gaussian probability distribution, we introduce an outlier-resistant criterion to deal with erratic measures in the FWI context, in which the classical FWI based on l2-norm is a particular case. The new misfit function arises from the probabilistic maximum-likelihood method associated with the α-Gaussian distribution. The PGF technique works on the forward modeling process by dividing the computational domain into outside target area and target area, where the wave equation is solved only once on the outside target (before FWI). During the FWI processing, Green's functions related only to the target area are computed instead of the entire computational domain, saving computational efforts. We show the effectiveness of our proposed approach by considering two distinct realistic P-wave velocity models, in which the first one is inspired in the Kwanza Basin in Angola and the second in a region of great economic interest in the Brazilian pre-salt field. We call our proposal by the abbreviation α-PGF-FWI. The results reveal that the α-PGF-FWI is robust against additive Gaussian noise and non-Gaussian noise with outliers in the limit α → 2/3, being α the Rényi entropic index.

A microfluidic approach for synthesis and kinetic profiling of branched gold nanostructures.

Automatized approaches for nanoparticle synthesis and characterization represent a great asset to their applicability in the biomedical field by improving reproducibility and standardization, which help to meet the selection criteria of regulatory authorities. The scaled-up production of nanoparticles with carefully defined characteristics, including intrinsic morphological features, and minimal intra-batch, batch-to-batch, and operator variability, is an urgent requirement to elevate nanotechnology towards more trustable biological and technological applications. In this work, microfluidic approaches were employed to achieve fast mixing and good reproducibility in synthesizing a variety of gold nanostructures. The microfluidic setup allowed exploiting spatial resolution to investigate the growth evolution of the complex nanoarchitectures. By physically isolating intermediate reaction fractions, we performed an advanced characterization of the shape properties during their growth, not possible with routine characterization methods. Employing an in-house developed method to assign a specific identity to shapes, we followed the particle growth/deformation process and identified key reaction parameters for more precise control of the generated morphologies. Besides, this investigation led to the optimization of a one-pot multi-size and multi-shape synthesis of a variety of gold nanoparticles. In summary, we describe an optimized platform for highly controlled synthesis and a novel approach for the mechanistic study of shape-evolving nanomaterials.

A Nanoscale Shape-Discovery Framework Supporting Systematic Investigations of Shape-Dependent Biological Effects and Immunomodulation.

Since it is now possible to make, in a controlled fashion, an almost unlimited variety of nanostructure shapes, it is of increasing interest to understand the forms of biological control that nanoscale shape allows. However, a priori rational investigation of such a vast universe of shapes appears to present intractable fundamental and practical challenges. This has limited the useful systematic investigation of their biological interactions and the development of innovative nanoscale shape-dependent therapies. Here, we introduce a concept of biologically relevant inductive nanoscale shape discovery and evaluation that is ideally suited to, and will ultimately become, a vehicle for machine learning discovery. Combining the reproducibility and tunability of microfluidic flow nanochemistry syntheses, quantitative computational shape analysis, and iterative feedback from biological responses in vitro and in vivo, we show that these challenges can be mastered, allowing shape biology to be explored within accepted scientific and biomedical research paradigms. Early applications identify significant forms of shape-induced biological and adjuvant-like immunological control.

Improving Seismic Inversion Robustness via Deformed Jackson Gaussian.

The seismic data inversion from observations contaminated by spurious measures (outliers) remains a significant challenge for the industrial and scientific communities. This difficulty is due to slow processing work to mitigate the influence of the outliers. In this work, we introduce a robust formulation to mitigate the influence of spurious measurements in the seismic inversion process. In this regard, we put forth an outlier-resistant seismic inversion methodology for model estimation based on the deformed Jackson Gaussian distribution. To demonstrate the effectiveness of our proposal, we investigated a classic geophysical data-inverse problem in three different scenarios: (i) in the first one, we analyzed the sensitivity of the seismic inversion to incorrect seismic sources; (ii) in the second one, we considered a dataset polluted by Gaussian errors with different noise intensities; and (iii) in the last one we considered a dataset contaminated by many outliers. The results reveal that the deformed Jackson Gaussian outperforms the classical approach, which is based on the standard Gaussian distribution.

Adding Prior Information in FWI through Relative Entropy.

Full waveform inversion is an advantageous technique for obtaining high-resolution subsurface information. In the petroleum industry, mainly in reservoir characterisation, it is common to use information from wells as previous information to decrease the ambiguity of the obtained results. For this, we propose adding a relative entropy term to the formalism of the full waveform inversion. In this context, entropy will be just a nomenclature for regularisation and will have the role of helping the converge to the global minimum. The application of entropy in inverse problems usually involves formulating the problem, so that it is possible to use statistical concepts. To avoid this step, we propose a deterministic application to the full waveform inversion. We will discuss some aspects of relative entropy and show three different ways of using them to add prior information through entropy in the inverse problem. We use a dynamic weighting scheme to add prior information through entropy. The idea is that the prior information can help to find the path of the global minimum at the beginning of the inversion process. In all cases, the prior information can be incorporated very quickly into the full waveform inversion and lead the inversion to the desired solution. When we include the logarithmic weighting that constitutes entropy to the inverse problem, we will suppress the low-intensity ripples and sharpen the point events. Thus, the addition of entropy relative to full waveform inversion can provide a result with better resolution. In regions where salt is present in the BP 2004 model, we obtained a significant improvement by adding prior information through the relative entropy for synthetic data. We will show that the prior information added through entropy in full-waveform inversion formalism will prove to be a way to avoid local minimums.

Tsallis Entropy, Likelihood, and the Robust Seismic Inversion.

The nonextensive statistical mechanics proposed by Tsallis have been successfully used to model and analyze many complex phenomena. Here, we study the role of the generalized Tsallis statistics on the inverse problem theory. Most inverse problems are formulated as an optimisation problem that aims to estimate the physical parameters of a system from indirect and partial observations. In the conventional approach, the misfit function that is to be minimized is based on the least-squares distance between the observed data and the modelled data (residuals or errors), in which the residuals are assumed to follow a Gaussian distribution. However, in many real situations, the error is typically non-Gaussian, and therefore this technique tends to fail. This problem has motivated us to study misfit functions based on non-Gaussian statistics. In this work, we derive a misfit function based on the q-Gaussian distribution associated with the maximum entropy principle in the Tsallis formalism. We tested our method in a typical geophysical data inverse problem, called post-stack inversion (PSI), in which the physical parameters to be estimated are the Earth's reflectivity. Our results show that the PSI based on Tsallis statistics outperforms the conventional PSI, especially in the non-Gaussian noisy-data case.

An objective function for full-waveform inversion based on frequency-dependent offset-preconditioning.

Full-waveform inversion (FWI) is a powerful technique to obtain high-resolution subsurface models, from seismic data. However, FWI is an ill-posed problem, which means that the solution is not unique, and therefore the expert use of the information is required to mitigate the FWI ill-posedness, especially when wide-aperture seismic acquisitions are considered. In this way, we investigate the multiscale frequency-domain FWI by using a weighting operator according to the distances between each source-receiver pair. In this work, we propose a weighting operator that acts on the data misfit as preconditioning of the objective function that depends on the source-receiver distance (offset) and the frequency used during the inversion. The proposed operator emphasizes information from long offsets, especially at low frequencies, and as a consequence improves the update of deep geological structures. To demonstrate the effectiveness of our proposal, we perform numerical simulations on 2D acoustic Marmousi2 case study, which is widely used in seismic imaging tests, considering three different scenarios. In the first two ones, we have used an acquisition geometry with a maximum offset of 4 and 8 km, respectively. In the last one, we have considered all-offsets. The results show that our proposal outperforms similar strategies, for all scenarios, providing more reliable quantitative subsurface models. In fact, our inversion result has the lowest error and the highest similarity to the true model than similar approaches.

Full-waveform inversion based on Kaniadakis statistics.

Full-waveform inversion (FWI) is a wave-equation-based methodology to estimate the subsurface physical parameters that honor the geologic structures. Classically, FWI is formulated as a local optimization problem, in which the misfit function, to be minimized, is based on the least-squares distance between the observed data and the modeled data (residuals or errors). From a probabilistic maximum-likelihood viewpoint, the minimization of the least-squares distance assumes a Gaussian distribution for the residuals, which obeys Gauss's error law. However, in real situations, the error is seldom Gaussian and therefore it is necessary to explore alternative misfit functions based on non-Gaussian error laws. In this way, starting from the κ-generalized exponential function, we propose a misfit function based on the κ-generalized Gaussian probability distribution, associated with the Kaniadakis statistics (or κ-statistics), which we call κ-FWI. In this study, we perform numerical simulations on a realistic acoustic velocity model, considering two noisy data scenarios. In the first one, we considered Gaussian noisy data, while in the second one, we considered realistic noisy data with outliers. The results show that the κ-FWI outperforms the least-squares FWI, providing better parameter estimation of the subsurface, especially in situations where the seismic data are very noisy and with outliers, independently of the κ-parameter. Although the κ-parameter does not affect the quality of the results, it is important for the fast convergence of FWI.