Hyperspectral unmixing aims at estimating material signatures (known as endmembers) and the corresponding proportions (referred to abundances), which is a critical preprocessing step in various hyperspectral imagery applications. This study develops a novel approach called sparsity and total variation (TV) constrained multilayer linear unmixing (STVMLU) for hyperspectral imagery. Specifically, based on a multilayer matrix factorization model, to improve the accuracy of unmixing, a TV constraint is incorporated to consider adjacent spatial similarity. Additionally, a L1/2-norm sparse constraint is adopted to effectively characterize the sparsity of the abundance matrix. For optimizing the STVMLU model, the method of alternating direction method of multipliers (ADMM) is employed, which allows for the simultaneous extraction of endmembers and their corresponding abundance matrix. Experimental results illustrate the enhanced performance of the proposed STVMLU when compared to other algorithms.

Hyperspectral image (HSI) unmixing is a challenging research problem that tries to identify the constituent components, known as endmembers, and their corresponding proportions, known as abundances, in the scene by analysing images captured by hyperspectral cameras. Recently, many deep learning based unmixing approaches have been proposed with the surge of machine learning techniques, especially convolutional neural networks (CNN). However, these methods face two notable challenges: 1. They frequently yield results lacking physical significance, such as signatures corresponding to unknown or non-existent materials. 2. CNNs, as general-purpose network structures, are not explicitly tailored for unmixing tasks. In response to these concerns, our work draws inspiration from double deep image prior (DIP) techniques and algorithm unrolling, presenting a novel network structure that effectively addresses both issues. Specifically, we first propose a MatrixConv Unmixing (MCU) approach for endmember and abundance estimation, respectively, which can be solved via certain iterative solvers. We then unroll these solvers to build two sub-networks, endmember estimation DIP (UEDIP) and abundance estimation DIP (UADIP), to generate the estimation of endmember and abundance, respectively. The overall network is constructed by assembling these two sub-networks. In order to generate meaningful unmixing results, we also propose a composite loss function. To further improve the unmixing quality, we also add explicitly a regularizer for endmember and abundance estimation, respectively. The proposed methods are tested for effectiveness on both synthetic and real datasets.

Hyperspectral unmixing is the process of determining the presence of individual materials and their respective abundances from an observed pixel spectrum. Unmixing is a fundamental process in hyperspectral image analysis, and is growing in importance as increasingly large spectral libraries are created and used. Unmixing is typically done with ordinary least squares (OLS) regression. However, unmixing with large spectral libraries where the materials present in a pixel are not a priori known, solving for the coefficients in OLS requires inverting a non-invertible matrix from a large spectral library. A number of regression methods are available that can produce a numerical solution using regularization, but with considerably varied effectiveness. Also, simple methods that are unpopular in the statistics literature (i.e. step-wise regression) are used with some level of effectiveness in hyperspectral analysis. In this paper, we provide a thorough performance evaluation of the methods considered, evaluating methods based on how often they select the correct materials in the models. Investigated methods include ordinary least squares regression, non-negative least squares regression, ridge regression, lasso regression, step-wise regression and Bayesian model averaging. We evaluated these unmixing approaches using multiple criteria: incorporation of non-negative abundances, model size, accurate mineral detection and root mean squared error (RMSE). We provide a taxonomy of the regression methods, showing that most methods can be understood as Bayesian methods with specific priors. We conclude that methods that can be derived with priors that correspond to the phenomenology of hyperspectral imagery outperform those with priors that are optimal for prediction performance under the assumptions of ordinary least squares linear regression.

This work proposes a variational inference (VI) framework for hyperspectral unmixing in the presence of endmember variability (HU-EV). An EV-accounted noisy linear mixture model (LMM) is considered, and the presence of outliers is also incorporated into the model. Following the marginalized maximum likelihood (MML) principle, a VI algorithmic structure is designed for probabilistic inference for HU-EV. Specifically, a patch-wise static endmember assumption is employed to exploit spatial smoothness and to try to overcome the ill-posed nature of the HU-EV problem. The design facilitates lightweight, continuous optimization-based updates under a variety of endmember priors. Some of the priors, such as the Beta prior, were previously used under computationally heavy, sampling-based probabilistic HU-EV methods. The effectiveness of the proposed framework is demonstrated through synthetic, semi-real, and real-data experiments.

Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner. Many applications entail the unmixing of signals from mixtures of molecular species to identify the individual components present and their proportions, yet conventional methods for chemometrics often struggle with complex mixture scenarios encountered in practice. Here, we develop hyperspectral unmixing algorithms based on autoencoder neural networks, and we systematically validate them using both synthetic and experimental benchmark datasets created in-house. Our results demonstrate that unmixing autoencoders provide improved accuracy, robustness and efficiency compared to standard unmixing methods. We also showcase the applicability of autoencoders to complex biological settings by showing improved biochemical characterization of volumetric Raman imaging data from a monocytic cell.

Nonlinear hyperspectral unmixing has recently received considerable attention, as linear mixture models do not lead to an acceptable resolution in some problems. In fact, most nonlinear unmixing methods are designed by assuming specific assumptions on the nonlinearity model which subsequently limits the unmixing performance. In this paper, we propose an unsupervised nonlinear unmixing approach based on deep learning by incorporating a general nonlinear model with no special assumptions. This model consists of two branches. In the first branch, endmembers are learned by reconstructing the rows of hyperspectral images using some hidden layers, and in the second branch, abundance values are learned based on the columns of respective images. Then, using multi-task learning, we introduce an auxiliary task to enforce the two branches to work together. This technique can be considered as a regularizer mitigating overfitting, which improves the performance of the total network. Extensive experiments on synthetic and real data verify the effectiveness of the proposed method compared to some state-of-the-art hyperspectral unmixing methods.

In this paper, we introduce a novel linear model tailored for semisupervised/library-based unmixing. Our model incorporates considerations for library mismatch while enabling the enforcement of the abundance sum-to-one constraint (ASC). Unlike conventional sparse unmixing methods, this model involves nonconvex optimization, presenting significant computational challenges. We demonstrate the efficacy of Alternating Methods of Multipliers (ADMM) in cyclically solving these intricate problems. We propose two semisupervised unmixing approaches, each relying on distinct priors applied to the new model in addition to the ASC: sparsity prior and convexity constraint. Our experimental results validate that enforcing the convexity constraint outperforms the sparsity prior for the endmember library. These results are corroborated across three simulated datasets (accounting for spectral variability and varying pixel purity levels) and the Cuprite dataset. Additionally, our comparison with conventional sparse unmixing methods showcases considerable advantages of our proposed model, which entails nonconvex optimization. Notably, our implementations of the proposed algorithms-fast semisupervised unmixing (FaSUn) and sparse unmixing using soft-shrinkage (SUnS)-prove considerably more efficient than traditional sparse unmixing methods. SUnS and FaSUn were implemented using PyTorch and provided in a dedicated Python package called Fast Semisupervised Unmixing (FUnmix), which is open-source and available at https://github.com/BehnoodRasti/FUnmix

The Hyperspectral Unxming problem is to find the pure spectral signal of the underlying materials (endmembers) and their proportions (abundances). The proposed method builds upon the recently proposed method, Latent Dirichlet Variational Autoencoder (LDVAE). It assumes that abundances can be encoded as Dirichlet Distributions while mixed pixels and endmembers are represented by Multivariate Normal Distributions. However, LDVAE does not leverage spatial information present in an HSI; we propose an Isotropic CNN encoder with spatial attention to solve the hyperspectral unmixing problem. We evaluated our model on Samson, Hydice Urban, Cuprite, and OnTech-HSI-Syn-21 datasets. Our model also leverages the transfer learning paradigm for Cuprite Dataset, where we train the model on synthetic data and evaluate it on real-world data. We are able to observe the improvement in the results for the endmember extraction and abundance estimation by incorporating the spatial information.

Spectral pixels are often a mixture of the pure spectra of the materials, called endmembers, due to the low spatial resolution of hyperspectral sensors, double scattering, and intimate mixtures of materials in the scenes. Unmixing estimates the fractional abundances of the endmembers within the pixel. Depending on the prior knowledge of endmembers, linear unmixing can be divided into three main groups: supervised, semi-supervised, and unsupervised (blind) linear unmixing. Advances in Image processing and machine learning substantially affected unmixing. This paper provides an overview of advanced and conventional unmixing approaches. Additionally, we draw a critical comparison between advanced and conventional techniques from the three categories. We compare the performance of the unmixing techniques on three simulated and two real datasets. The experimental results reveal the advantages of different unmixing categories for different unmixing scenarios. Moreover, we provide an open-source Python-based package available at https://github.com/BehnoodRasti/HySUPP to reproduce the results.

This paper introduces a new sparse unmixing technique using archetypal analysis (SUnAA). First, we design a new model based on archetypal analysis. We assume that the endmembers of interest are a convex combination of endmembers provided by a spectral library and that the number of endmembers of interest is known. Then, we propose a minimization problem. Unlike most conventional sparse unmixing methods, here the minimization problem is non-convex. We minimize the optimization objective iteratively using an active set algorithm. Our method is robust to the initialization and only requires the number of endmembers of interest. SUnAA is evaluated using two simulated datasets for which results confirm its better performance over other conventional and advanced techniques in terms of signal-to-reconstruction error. SUnAA is also applied to Cuprite dataset and the results are compared visually with the available geological map provided for this dataset. The qualitative assessment demonstrates the successful estimation of the minerals abundances and significantly improves the detection of dominant minerals compared to the conventional regression-based sparse unmixing methods. The Python implementation of SUnAA can be found at: https://github.com/BehnoodRasti/SUnAA.