Front-face fluorescence spectroscopy and chemometrics for quality control of cold-pressed rapeseed oil during storage

The aim of this study was to test the usability of fluorescence spectroscopy to evaluate the stability of cold-pressed rapeseed oil during storage. Freshly-pressed rapeseed oil was stored in colorless and green glass bottles exposed to light, and in darkness for a period of 6 months. The quality deterioration of oils was evaluated on the basis of several chemical parameters (peroxide value, acid value, K232 and K270, polar compounds, tocopherols, carotenoids, pheophytins, oxygen concentration) and fluorescence. Parallel factor analysis (PARAFAC) of oil excitation-emission matrices revealed the presence of four fluorophores that showed different evolution throughout the storage period. The fluorescence study provided direct information about tocopherol and pheophytin degradation and revealed formation of a new fluorescent product. Principal component analysis (PCA) performed on analytical and fluorescence data showed that oxidation was more advanced in samples exposed to light due to the photo-induced processes; only a very minor effect of the bottle color was observed. Multiple linear regression (MLR) and partial least squares regression (PLSR) on the PARAFAC scores revealed a quantitative relationship between fluorescence and some of the chemical parameters.Funding Agency Ministry of Science and Higher Education, Poland NN312428239 Poznan University of Economics and Businessinfo:eu-repo/semantics/publishedVersio

Joint Tensor Factorization and Outlying Slab Suppression with Applications

We consider factoring low-rank tensors in the presence of outlying slabs. This problem is important in practice, because data collected in many real-world applications, such as speech, fluorescence, and some social network data, fit this paradigm. Prior work tackles this problem by iteratively selecting a fixed number of slabs and fitting, a procedure which may not converge. We formulate this problem from a group-sparsity promoting point of view, and propose an alternating optimization framework to handle the corresponding $\ell_p$ ($0<p\leq 1$) minimization-based low-rank tensor factorization problem. The proposed algorithm features a similar per-iteration complexity as the plain trilinear alternating least squares (TALS) algorithm. Convergence of the proposed algorithm is also easy to analyze under the framework of alternating optimization and its variants. In addition, regularization and constraints can be easily incorporated to make use of \emph{a priori} information on the latent loading factors. Simulations and real data experiments on blind speech separation, fluorescence data analysis, and social network mining are used to showcase the effectiveness of the proposed algorithm

Approximate Rank-Detecting Factorization of Low-Rank Tensors

We present an algorithm, AROFAC2, which detects the (CP-)rank of a degree 3 tensor and calculates its factorization into rank-one components. We provide generative conditions for the algorithm to work and demonstrate on both synthetic and real world data that AROFAC2 is a potentially outperforming alternative to the gold standard PARAFAC over which it has the advantages that it can intrinsically detect the true rank, avoids spurious components, and is stable with respect to outliers and non-Gaussian noise

Bayesian factorizations of big sparse tensors

It has become routine to collect data that are structured as multiway arrays (tensors). There is an enormous literature on low rank and sparse matrix factorizations, but limited consideration of extensions to the tensor case in statistics. The most common low rank tensor factorization relies on parallel factor analysis (PARAFAC), which expresses a rank $k$ tensor as a sum of rank one tensors. When observations are only available for a tiny subset of the cells of a big tensor, the low rank assumption is not sufficient and PARAFAC has poor performance. We induce an additional layer of dimension reduction by allowing the effective rank to vary across dimensions of the table. For concreteness, we focus on a contingency table application. Taking a Bayesian approach, we place priors on terms in the factorization and develop an efficient Gibbs sampler for posterior computation. Theory is provided showing posterior concentration rates in high-dimensional settings, and the methods are shown to have excellent performance in simulations and several real data applications

Parallel Algorithms for Constrained Tensor Factorization via the Alternating Direction Method of Multipliers

Tensor factorization has proven useful in a wide range of applications, from sensor array processing to communications, speech and audio signal processing, and machine learning. With few recent exceptions, all tensor factorization algorithms were originally developed for centralized, in-memory computation on a single machine; and the few that break away from this mold do not easily incorporate practically important constraints, such as nonnegativity. A new constrained tensor factorization framework is proposed in this paper, building upon the Alternating Direction method of Multipliers (ADMoM). It is shown that this simplifies computations, bypassing the need to solve constrained optimization problems in each iteration; and it naturally leads to distributed algorithms suitable for parallel implementation on regular high-performance computing (e.g., mesh) architectures. This opens the door for many emerging big data-enabled applications. The methodology is exemplified using nonnegativity as a baseline constraint, but the proposed framework can more-or-less readily incorporate many other types of constraints. Numerical experiments are very encouraging, indicating that the ADMoM-based nonnegative tensor factorization (NTF) has high potential as an alternative to state-of-the-art approaches.Comment: Submitted to the IEEE Transactions on Signal Processin

Sulfate Reduction in Sediments Produces High Levels of Chromophoric Dissolved Organic Matter

Sulfate reduction plays an important role in altering dissolved organic matter (DOM) in estuarine and coastal sediments, although its role in the production of optically active chromophoric DOM (CDOM) and a subset of fluorescent DOM (FDOM) has not been previously investigated in detail. Freshwater sediment slurries were incubated anaerobically with added sulfate and acetate to promote sulfate-reducing bacteria. Ultraviolet visible (UV-Vis) absorbance and 3-dimensional excitation emission matrix (EEM) fluorescence spectra were measured over a five weeks anaerobic dark incubation period. Parallel Factor Analysis (PARAFAC) of FDOM determined components that increased significantly during dark and anaerobic incubation matching three components previously considered of terrestrially-derived or humic-like origin published in the OpenFluor database. The observed FDOM increase was strongly correlated (R2 = 0.96) with the reduction of sulfate. These results show a direct experimental link between sulfate reduction and FDOM production, which impacts our understanding of coastal FDOM sources and early sediment diagenesis. As 3D fluorescence techniques are commonly applied to diverse systems, these results provide increasing support that FDOM can have many diverse sources not consistently captured by common classifications such as “humic-like” fluorescence

Nonnegative approximations of nonnegative tensors

We study the decomposition of a nonnegative tensor into a minimal sum of outer product of nonnegative vectors and the associated parsimonious naive Bayes probabilistic model. We show that the corresponding approximation problem, which is central to nonnegative PARAFAC, will always have optimal solutions. The result holds for any choice of norms and, under a mild assumption, even Bregman divergences.Comment: 14 page