Peter Serocka’s research while affiliated with Shanghai Institute of Technical Physics and other places

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Publications (5)


Figure 1: Principle of FT-IR microscopy. (A) At each pixel (indicated by circles), the infrared absorbance spectrum is measured, reflecting the biochemical status of the sample at the corresponding position. (B) Average spectra for different tissue components from a well established training dataset 3 exhibit relatively subtle differences on an absolute scale. (C) Mean spectra of crypts and tumor regions, with shaded areas around the mean spectra indicating standard deviation. Spectral variability within each class is small even in relation to the subtle differences between average spectra, so that differences between classes (here exemplified by crypts vs. tumor) remain distinguishable by classifiers.
Figure 2: Schematic overview of the cross-validation scheme for hierarchical clustering. (A)  Composition of training data set, indicating an index color and proportion of spectra per class. (B) Dendrogram of the training data set and result of an optimal class assignment under a horizontal cut (indicated by dashed line in the left dendrogram) and an optimal tree assignment (right dendrogram) where each class is identified with the subtree colored according to its associated index color. Tree-assignment based segmentation not only achieves a much higher accuracy, but exhibits substantial differences in the assignment of several classes. The classes of crypts and submucosa are even identified as disjoint sets of spectra in both approaches, while substantial differences exist in the classes of tumour, inflammatory tissue, follicles, and support cells. The two segmentations indicate that even on well-curated training data, non-horizontal cuts in the dendrogram represent tissue classes much more reliably than horizontal cuts.
Figure 3: Indexed spectral images and confusion matrices of image 120514 . (A): Random-forest classified reference image. (B-D): Segmentations and confusion matrices obtained by different annotation approaches. In the confusion matrices, the numbers beside the tissue names indicate class sizes, and the tissues are sorted by size in descending order. Ward’s clustering in combination with the power metric achieves an Rand index of 0.83 and accuracy of 53.35% (data not shown).
Figure 4: Comparison of tree assignments, k -means and horizontal cut. Clustering the training dataset into 14 classes using k-means (left) or Ward’s clustering using a horizontal cut (middle) leads to partitionings with a Rand index of around.9 with relatively high standard deviation. A partitioning obtained from Ward’s clustering using tree-assignments leads to a significantly higher Rand index (right). Note that the Rand index approaches 1 for datasets with many classes. Yet, the difference after Monte-Carlo type validation is clearly significant.
Figure 5: Comparison of different hierarchical clustering approaches under varying the depth of segmentation Q . Three hierarchical clustering schemes are evaluated in terms of Rand index and accuracy on both the training dataset (A-B) and image 120514 (C-D). 10-fold Monte-Carlo cross validation is performed on the training dataset (the error bar indicates standard deviation).
Similarity maps and hierarchical clustering for annotating FT-IR spectral images
  • Article
  • Full-text available

November 2013

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318 Reads

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14 Citations

BMC Bioinformatics

Qiaoyong Zhong

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Chen Yang

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Unsupervised segmentation of multi-spectral images plays an important role in annotating infrared microscopic images and is an essential step in label-free spectral histopathology. In this context, diverse clustering approaches have been utilized and evaluated in order to achieve segmentations of Fourier Transform Infrared (FT-IR) microscopic images that agree with histopathological characterization. We introduce so-called interactive similarity maps as an alternative annotation strategy for annotating infrared microscopic images. We demonstrate that segmentations obtained from interactive similarity maps lead to similarly accurate segmentations as segmentations obtained from conventionally used hierarchical clustering approaches. In order to perform this comparison on quantitative grounds, we provide a scheme that allows to identify non-horizontal cuts in dendrograms. This yields a validation scheme for hierarchical clustering approaches commonly used in infrared microscopy. We demonstrate that interactive similarity maps may identify more accurate segmentations than hierarchical clustering based approaches, and thus are a viable and due to their interactive nature attractive alternative to hierarchical clustering. Our validation scheme furthermore shows that performance of hierarchical two-means is comparable to the traditionally used Ward's clustering. As the former is much more efficient in time and memory, our results suggest another less resource demanding alternative for annotating large spectral images.

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Next-generation biomarkers based on 100-parameter functional super-resolution microscopy TIS

December 2011

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41 Reads

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48 Citations

New Biotechnology

Functional super-resolution (fSR) microscopy is based on the automated toponome imaging system (TIS). fSR-TIS provides insight into the myriad of different cellular functionalities by direct imaging of large subcellular protein networks in morphologically intact cells and tissues, referred to as the toponome. By cyclical fluorescence imaging of at least 100 molecular cell components, fSR-TIS overcomes the spectral limitations of fluorescence microscopy, which is the essential condition for the detection of protein network structures in situ/in vivo. The resulting data sets precisely discriminate between cell types, subcellular structures, cell states and diseases (fSR). With up to 16 bits per protein, the power of combinatorial molecular discrimination (PCMD) is at least 2(100) per subcellular data point. It provides the dimensionality necessary to uncover thousands of distinct protein clusters including their subcellular hierarchies controlling protein network topology and function in the one cell or tissue section. Here we review the technology and findings showing that functional protein networks of the cell surface in different cancers encompass the same hierarchical and spatial coding principle, but express cancer-specific toponome codes within that scheme (referred to as TIS codes). Findings suggest that TIS codes, extracted from large-scale toponome data, have the potential to be next-generation biomarkers because of their cell type and disease specificity. This is functionally substantiated by the observation that blocking toponome-specific lead proteins results in disassembly of molecular networks and loss of function.


Figure 2: Nerve-cell tissue: 5 images obtained with Lasagne from MELK toponome data as shown in Figure 1.
Figure 3: Nerve-cell tissue: 8 further images obtained with Lasagne from the same data set.
Two Theorems about Similarity Maps

October 2008

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109 Reads

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11 Citations

Annals of Combinatorics

One of the problems arising when exploring toponome or other multivariate-image data is the following: Given a family of n gray-value images of, e.g., a given sample of cell tissue, indexed by a collection of n proteins under investigation (so-called MELK data) — each single image representing the varying local concentration of one of those n proteins at the various sites (pixels) of the given sample, how should one quantify, for any two pixels (or clusters of pixels), the (dis)similarity between the corresponding “vectors” of local protein concentrations in question. Some (dis)similarity mappings defined on \mathbbRn\mathbb{R}^n allowing for fast OpenGL texture mapping turned out to be useful in visual inspection of toponome data. Here, we derive two rather general results regarding similarity and dissimilarity mappings and, as a corollary, the fact that the functions that were used for visual inspection of MELK data are, indeed, metrics. We believe that our results are, however, also of more general interest within the ongoing program of elucidating the structure of metrics from a more abstract point of view.


Visualization of High-Dimensional Biomedical Image Data

December 2007

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10 Reads

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2 Citations

A new challenge to data visualization has arisen from a new laboratory technique that is capable of imaging a large number of biomedical relevant molecule types in a single tissue probe, termed the Toponome. While aiming at deciphering the biochemical interactions of the molecules, and thus their biological functions as well their roles in diseases, no current methods of image analysis are fully suited for this new quality of high-dimensional image data. To overcome this problem we demonstrate a novel framework for interactive real-time visualization, making use of standard graphics acceleration hardware. We show a sample implementation of a threshold-based visualization technique that is connected to the original work of the Toponome authors, improving it by means of fast user interaction.


Figure 1: A typical sequence of patterns, with spiral waves forming, growing, and competing. In this example one dominant spiral eventually takes over the entire grid. The parameter values used are C s = 0 . 5, C r = 2 . 5, and p = 0 . 2, on 
Figure 2: State-space view of the dynamic behavior. Left: No diffusion. All cells end up in the same limit cycle. Right: With diffusion, p = 0 . 2. The cell-states now occupy a cloud around the limit cycle. 
Figure 3: Stability of a spiral wave. 
Figure 4: A comparison of an experimentally observed pattern (left, taken from [12]), and a pattern generated by the ISCAM program (right). 
The Ideal Storage Cellular Automaton Model

162 Reads

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2 Citations

We have implemented and investigated a spatial extension of the orig-inal ideal storage model by embedding it in a 2D cellular automaton with a diffusion-like coupling between neighboring cells. The resulting ideal storage cellular automaton model (ISCAM) generates many interesting spatio-temporal patterns, in particular spiral waves that grow and "com-pete" with each other. We study this dynamical behavior both mathemat-ically and computationally, and compare it with similar patterns observed in actual chemical processes. Remarkably, it turned out that one can use such CA for modeling all sorts of complex processes, from phase transition in binary mixtures to using them as a metaphor for cancer onset caused by only one short pulse of 'tissue dis-organzation' (changing e.g. for only one single time step the diffusion coefficient) as hypothesized in recent papers questioning the current gene/genome centric view on cancer onset by AO Ping et al.

Citations (5)


... Since the variables interact with each other in an unknown manner, the prediction of such a multivariable system based on limited time series data thus becomes a challenging task. We consider the data generated from an ideal storage cellular automaton model (ISCAM) simulating heterocatalytic reaction-diffusion processes at metal surfaces (45,46). The onestep prediction results by using the RDE framework for a spiral pattern in the 20 × 20 grids are illustrated in Fig. 5C, which clearly shows the effectiveness of our method for the spatiotemporal pattern prediction. ...

Reference:

Randomly distributed embedding making short-term high-dimensional data predictable
The Ideal Storage Cellular Automaton Model

... Protein hydrolysates were produced from shrimp waste mainly comprising head and shell of Penaeus monodon by enzymatic hydrolysis for 90 min using four microbial proteases(Dey & Dora, 2014). Interractive similarity maps may identify more accurately the segmentations than the hierarchical clustering based approaches, and thus are a viable and due to their interactive nature attractive alternative to hierarchical clustering.As the former is much more efficient in time and memory, our results suggest another less resource demanding alternative for annotating large spectral images (Zhong et al., 2013). Enzymatic mungbean meal protein hydrolysate is a novel natural flavour/antioxidant source (Sonklin, Laohakunjit, Kerdchoechuen, & Ratanakhanokchai, 2018). ...

Similarity maps and hierarchical clustering for annotating FT-IR spectral images

BMC Bioinformatics

... While a visual and subjective analysis can identify general relationships, we needed a quantitative cartographic approach to carry out a detailed and rigorous analysis that would allow us to extract all the information represented between the different maps included in this work. These techniques have long been used by researchers with reliable results, as shown in the work of Cook et al. [63], Dress et al. [64], and Cui et al. [65]. ...

Two Theorems about Similarity Maps

Annals of Combinatorics

... By overlaying the interactive similarity maps (ISMs) with an H&E stained reference image, this allows to interactively take into account both spectral similarity and histopathological information from the stained image. This method is implemented in our so-called Lasagne software that has been originally proposed [13] and implemented [14] for multi-label fluorescence microscopy, while the present contribution adapts and quantitatively validates it for the use in vibrational microspectroscopy. ...

Visualization of High-Dimensional Biomedical Image Data
  • Citing Conference Paper
  • December 2007

... Moreover, such tomography combined with the localisation of GFP-labelled proteins should not only show cyclic intracellular variations in density and hence water content in individual bacteria but also help identify the hyperstructures involved. Such identification would benefit from the application of toponomics to bacteria (Schubert et al. 2012). There are two evident ways in which investigations might proceed. ...

Next-generation biomarkers based on 100-parameter functional super-resolution microscopy TIS
  • Citing Article
  • December 2011

New Biotechnology