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X-WR-CALNAME:Biomedical Mathematics Group
X-ORIGINAL-URL:https://www.ibs.re.kr/bimag
X-WR-CALDESC:Events for Biomedical Mathematics Group
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TZID:Asia/Seoul
BEGIN:STANDARD
TZOFFSETFROM:+0900
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DTSTART:20200101T000000
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BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220708T130000
DTEND;TZID=Asia/Seoul:20220708T140000
DTSTAMP:20260423T050238
CREATED:20220707T190000Z
LAST-MODIFIED:20220629T005506Z
UID:6246-1657285200-1657288800@www.ibs.re.kr
SUMMARY:Chemical Organisation Theory
DESCRIPTION:We will discuss about “Chemical Organisation Theory\n“\, Dittrich\, Peter\, and Pietro Speroni Di Fenizio\, Bulletin of mathematical biology 69.4 (2007): 1199-1231. \nAbstract: Complex dynamical reaction networks consisting of many components that interact and produce each other are difficult to understand\, especially\, when new component types may appear and present component types may vanish completely. Inspired by Fontana and Buss (Bull. Math. Biol.\, 56\, 1–64) we outline a theory to deal with such systems. The theory consists of two parts. The first part introduces the concept of a chemical organisation as a closed and self-maintaining set of components. This concept allows to map a complex (reaction) network to the set of organisations\, providing a new view on the system’s structure. The second part connects dynamics with the set of organisations\, which allows to map a movement of the system in state space to a movement in the set of organisations. The relevancy of our theory is underlined by a theorem that says that given a differential equation describing the chemical dynamics of the network\, then every stationary state is an instance of an organisation. For demonstration\, the theory is applied to a small model of HIV-immune system interaction by Wodarz and Nowak (Proc. Natl. Acad. USA\, 96\, 14464–14469) and to a large model of the sugar metabolism of E. Coli by Puchalka and Kierzek (Biophys. J.\, 86\, 1357–1372). In both cases organisations where uncovered\, which could be related to functions.
URL:https://www.ibs.re.kr/bimag/event/2022-07-08-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220705T100000
DTEND;TZID=Asia/Seoul:20220705T110000
DTSTAMP:20260423T050238
CREATED:20220704T160000Z
LAST-MODIFIED:20220704T035619Z
UID:6122-1657015200-1657018800@www.ibs.re.kr
SUMMARY:AI Pontryagin or how artificial neural networks learn to control dynamical systems
DESCRIPTION:We will discuss about “AI Pontryagin or how artificial neural networks learn to control dynamical systems”\, Böttcher\, L.\, Antulov-Fantulin\, N. & Asikis\, T.\, Nat Commun 13\, 333 (2022). \nAbstract: The efficient control of complex dynamical systems has many applications in the natural and applied sciences. In most real-world control problems\, both control energy and cost constraints play a significant role. Although such optimal control problems can be formulated within the framework of variational calculus\, their solution for complex systems is often analytically and computationally intractable. To overcome this outstanding challenge\, we present AI Pontryagin\, a versatile control framework based on neural ordinary differential equations that automatically learns control signals that steer high-dimensional dynamical systems towards a desired target state within a specified time interval. We demonstrate the ability of AI Pontryagin to learn control signals that closely resemble those found by corresponding optimal control frameworks in terms of control energy and deviation from the desired target state. Our results suggest that AI Pontryagin is capable of solving a wide range of control and optimization problems\, including those that are analytically intractable
URL:https://www.ibs.re.kr/bimag/event/2022-07-05-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220623T123000
DTEND;TZID=Asia/Seoul:20220623T133000
DTSTAMP:20260423T050238
CREATED:20220622T183000Z
LAST-MODIFIED:20220623T060141Z
UID:6104-1655987400-1655991000@www.ibs.re.kr
SUMMARY:Understanding How Dimension Reduction Tools Work: An Empirical Approach to Deciphering t-SNE\, UMAP\, TriMAP\, and PaCMAP for Data Visualization
DESCRIPTION:We will discuss about “Understanding How Dimension Reduction Tools Work: An Empirical Approach to Deciphering t-SNE\, UMAP\, TriMAP\, and PaCMAP for Data Visualization”\, Wang\, Yingfan\, et al.\, J. Mach. Learn. Res.\, 2021. \nAbstract: Dimension reduction (DR) techniques such as t-SNE\, UMAP\, and TriMAP have demonstrated impressive visualization performance on many real world datasets. One tension that has always faced these methods is the trade-off between preservation of global structure and preservation of local structure: these methods can either handle one or the other\, but not both. In this work\, our main goal is to understand what aspects of DR methods are important for preserving both local and global structure: it is difficult to design a better method without a true understanding of the choices we make in our algorithms and their empirical impact on the lower-dimensional embeddings they produce. Towards the goal of local structure preservation\, we provide several useful design principles for DR loss functions based on our new understanding of the mechanisms behind successful DR methods. Towards the goal of global structure preservation\, our analysis illuminates that the choice of which components to preserve is important. We leverage these insights to design a new algorithm for DR\, called Pairwise Controlled Manifold Approximation Projection (PaCMAP)\, which preserves both local and global structure. Our work provides several unexpected insights into what design choices both to make and avoid when constructing DR algorithms.
URL:https://www.ibs.re.kr/bimag/event/2022-06-23-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220616T130000
DTEND;TZID=Asia/Seoul:20220616T140000
DTSTAMP:20260423T050238
CREATED:20220615T190000Z
LAST-MODIFIED:20220623T060231Z
UID:6124-1655384400-1655388000@www.ibs.re.kr
SUMMARY:Identifying the critical states of complex diseases by the dynamic change of multivariate distribution
DESCRIPTION:We will discuss about “Identifying the critical states of complex diseases by the dynamic change of multivariate distribution”\, Peng\, Hao\, et al.\, Briefings in Bioinformatics\, 2022. \nAbstract: The dynamics of complex diseases are not always smooth; they are occasionally abrupt\, i.e. there is a critical state transition or tipping point at which the disease undergoes a sudden qualitative shift. There are generally a few significant differences in the critical state in terms of gene expressions or other static measurements\, which may lead to the failure of traditional differential expression-based biomarkers to identify such a tipping point. In this study\, we propose a computational method\, the direct interaction network-based divergence\, to detect the critical state of complex diseases by exploiting the dynamic changes in multivariable distributions inferred from observable samples and local biomolecular direct interaction networks. Such a method is model-free and applicable to both bulk and single-cell expression data. Our approach was validated by successfully identifying the tipping point just before the occurrence of a critical transition for both a simulated data set and seven real data sets\, including those from The Cancer Genome Atlas and two single-cell RNA-sequencing data sets of cell differentiation. Functional and pathway enrichment analyses also validated the computational results from the perspectives of both molecules and networks.
URL:https://www.ibs.re.kr/bimag/event/2022-06-16-jc-2/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220603T130000
DTEND;TZID=Asia/Seoul:20220603T140000
DTSTAMP:20260423T050238
CREATED:20220525T170000Z
LAST-MODIFIED:20220529T181413Z
UID:5986-1654261200-1654264800@www.ibs.re.kr
SUMMARY:Approximating Solutions of the Chemical Master Equation using Neural Networks
DESCRIPTION:We will discuss about “Approximating Solutions of the Chemical Master Equation using Neural Networks”\, Sukys et al.\, bioRxiv\, 2022 \nAbstract: The Chemical Master Equation (CME) provides an accurate description of stochastic biochemical reaction networks in well-mixed conditions\, but it cannot be solved analytically for most systems of practical interest. While Monte Carlo methods provide a principled means to probe the system dy- namics\, their high computational cost can render the estimation of molecule number distributions and other numerical tasks infeasible due to the large number of repeated simulations typically required. In this paper we aim to leverage the representational power of neural networks to approximate the solutions of the CME and propose a framework for Neural Estimation of Stochastic Simulations for Inference and Exploration (Nessie). Our approach is based on training a neural network to learn the distributions predicted by the CME from a relatively small number of stochastic simulations\, thereby accelerating computationally intensive tasks such as parameter exploration and inference. We show on biologically relevant examples that simple neural networks with one hidden layer are able to cap- ture highly complex distributions across parameter space. We provide a detailed discussion of the neural network implementation and code for easy reproducibility.
URL:https://www.ibs.re.kr/bimag/event/2022-06-03-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220512T150000
DTEND;TZID=Asia/Seoul:20220512T160000
DTSTAMP:20260423T050238
CREATED:20220511T210000Z
LAST-MODIFIED:20220509T084329Z
UID:5983-1652367600-1652371200@www.ibs.re.kr
SUMMARY:Optimizing Oscillators for Specific Tasks Predicts Preferred Biochemical Implementations
DESCRIPTION:We will discuss about “Optimizing Oscillators for Specific Tasks Predicts Preferred Biochemical Implementations”\, Agrahar and  Rust.\, bioRxiv\, 2022. \nAbstract: Oscillatory processes are used throughout cell biology to control time-varying physiology including the cell cycle\, circadian rhythms\, and developmental patterning. It has long been understood that free-running oscillations require feedback loops where the activity of one component depends on the concentration of another. Oscillator motifs have been classified by the positive or negative net logic of these loops. However\, each feedback loop can be implemented by regulation of either the production step or the removal step. These possibilities are not equivalent because of the underlying structure of biochemical kinetics. By computationally searching over these possibilities\, we find that certain molecular implementations are much more likely to produce stable oscillations. These preferred molecular implementations are found in many natural systems\, but not typically in artificial oscillators\, suggesting a design principle for future synthetic biology. Finally\, we develop an approach to oscillator function across different reaction networks by evaluating the biosynthetic cost needed to achieve a given phase coherence. This analysis predicts that phase drift is most efficiently suppressed by delayed negative feedback lo op architectures that operate without positive feedback.
URL:https://www.ibs.re.kr/bimag/event/2022-05-12-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220506T130000
DTEND;TZID=Asia/Seoul:20220506T140000
DTSTAMP:20260423T050238
CREATED:20220505T190000Z
LAST-MODIFIED:20220425T061007Z
UID:5980-1651842000-1651845600@www.ibs.re.kr
SUMMARY:The 103\,200-arm acceleration dataset in the UK Biobank revealed a landscape of human sleep phenotypes
DESCRIPTION:We will discuss about “The 103\,200-arm acceleration dataset in the UK Biobank revealed a landscape of human sleep phenotypes”\, Katori et al.\, PNAS\, 2022. \nAbstract: Human sleep phenotypes can be defined and diversified by both genetic and environmental factors. However\, some sleep phenotypes are difficult to evaluate without long-term\, precise sleep monitoring\, for which simple yet accurate sleep measurement is required. To solve this problem\, we recently developed a state-of-the-art sleep/wake classification algorithm based on wristband-type accelerometers\, termed ACCEL (acceleration-based classification and estimation of long-term sleep-wake cycles). In this study\, we optimized and applied ACCEL to large-scale analysis of human sleep phenotypes. The clustering of an about 100\,000-arm acceleration dataset in the UK Biobank using uniform manifold approximation and projection (UMAP) dimension reduction and density-based spatial clustering of applications with noise (DBSCAN) clustering methods identified 16 sleep phenotypes\, including those related to social jet lag\, chronotypes (“morning/night person”)\, and seven different insomnia-like phenotypes. Considering the complex relationship between sleep disorders and other psychiatric disorders\, these unbiased and comprehensive analyses of sleep phenotypes in humans will not only contribute to the advancement of biomedical research on genetic and environmental factors underlying human sleep patterns but also\, allow for the development of better digital biomarkers for psychiatric disorders.
URL:https://www.ibs.re.kr/bimag/event/2022-05-06-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220429T130000
DTEND;TZID=Asia/Seoul:20220429T140000
DTSTAMP:20260423T050238
CREATED:20220329T103359Z
LAST-MODIFIED:20220329T103359Z
UID:5877-1651237200-1651240800@www.ibs.re.kr
SUMMARY:Toroidal topology of population activity in grid cells
DESCRIPTION:We will discuss about “Toroidal topology of population activity in grid cells”\, Gardner et al.\, Nature\, 2021. \nAbstract: The medial entorhinal cortex is part of a neural system for mapping the position of an individual within a physical environment. Grid cells\, a key component of this system\, fire in a characteristic hexagonal pattern of locations\, and are organized in modules that collectively form a population code for the animal’s allocentric position. The invariance of the correlation structure of this population code across environments and behavioral states\, independent of specific sensory inputs\, has pointed to intrinsic\, recurrently connected continuous attractor networks (CANs) as a possible substrate of the grid pattern. However\, whether grid cell networks show continuous attractor dynamics\, and how they interface with inputs from the environment\, has remained unclear owing to the small samples of cells obtained so far. Here\, using simultaneous recordings from many hundreds of grid cells and subsequent topological data analysis\, we show that the joint activity of grid cells from an individual module resides on a toroidal manifold\, as expected in a two-dimensional CAN. Positions on the torus correspond to the positions of the moving animal in the environment. Individual cells are preferentially active at singular positions on the torus. Their positions are maintained between environments and from wakefulness to sleep\, as predicted by CAN models for grid cells but not by alternative feedforward models. This demonstration of network dynamics on a toroidal manifold provides a population-level visualization of CAN dynamics in grid cells.
URL:https://www.ibs.re.kr/bimag/event/2022-04-29-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220422T130000
DTEND;TZID=Asia/Seoul:20220422T140000
DTSTAMP:20260423T050238
CREATED:20220421T190000Z
LAST-MODIFIED:20220329T005550Z
UID:5874-1650632400-1650636000@www.ibs.re.kr
SUMMARY:An Efficient Characterization of Complex-Balanced\, Detailed-Balanced\, and Weakly Reversible Systems
DESCRIPTION:We will discuss about “An Efficient Characterization of Complex-Balanced\, Detailed-Balanced\, and Weakly Reversible Systems”\, Craciun et al.\, SIAM Journal on Applied Mathematics\, 2020 \nAbstract: Very often\, models in biology\, chemistry\, physics\, and engineering are systems of polynomial or power-law ordinary differential equations\, arising from a reaction network. Such dynamical systems can be generated by many different reaction networks. On the other hand\, networks with special properties (such as reversibility or weak reversibility) are known or conjectured to give rise to dynamical systems that have special properties: existence of positive steady states\, persistence\, permanence\, and (for well-chosen parameters) complex balancing or detailed balancing. These last two are related to thermodynamic equilibrium\, and therefore the positive steady states are unique and stable. We describe a computationally efficient characterization of polynomial or power-law dynamical systems that can be obtained as complex-balanced\, detailed-balanced\, weakly reversible\, and reversible mass-action systems.
URL:https://www.ibs.re.kr/bimag/event/2022-04-22-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220415T110000
DTEND;TZID=Asia/Seoul:20220415T130000
DTSTAMP:20260423T050238
CREATED:20220414T182000Z
LAST-MODIFIED:20220414T012030Z
UID:5868-1650020400-1650027600@www.ibs.re.kr
SUMMARY:A topological data analysis based classifier
DESCRIPTION:We will discuss about “A topological data analysis based classifier”\, Kindelan et al.\, arXiv\, 2022 \nAbstract: Topological Data Analysis is an emergent field that aims to discover the underlying dataset’s topological information. Topological Data Analysis tools have been commonly used to create filters and topological descriptors to improve Machine Learning (ML) methods. This paper proposes a different Topological Data Analysis pipeline to classify balanced and imbalanced multi-class datasets without additional ML methods. Our proposed method was designed to solve multi-class problems. It resolves multi-class imbalanced classification problems with no data resampling preprocessing stage. The proposed Topological Data Analysis-based classifier builds a filtered simplicial complex on the dataset representing high-order data relationships. Following the assumption that a meaningful sub-complex exists in the filtration that approximates the data topology\, we apply Persistent Homology to guide the selection of that sub-complex by considering detected topological features. We use each unlabeled point’s link and star operators to provide different sized and multi-dimensional neighborhoods to propagate labels from labeled to unlabeled points. The labeling function depends on the filtration entire history of the filtered simplicial complex and is encoded within the persistent diagrams at various dimensions. We select eight datasets with different dimensions\, degrees of class overlap\, and imbalanced samples per class. The TDABC outperforms all baseline methods classifying multi-class imbalanced data with high imbalanced ratios and data with overlapped classes. Also\, on average\, the proposed method was better than KNN and weighted-KNN and behaved competitively with SVM and Random Forest baseline classifiers in balanced datasets.
URL:https://www.ibs.re.kr/bimag/event/2022-04-15-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220408T130000
DTEND;TZID=Asia/Seoul:20220408T140000
DTSTAMP:20260423T050238
CREATED:20220407T190000Z
LAST-MODIFIED:20220405T042614Z
UID:5870-1649422800-1649426400@www.ibs.re.kr
SUMMARY:RTransferEntropy — Quantifying information flow between different time series using effective transfer entropy
DESCRIPTION:We will discuss about “RTransferEntropy — Quantifying information flow between different time series using effective transfer entropy”\, Behrendt et al.\, SoftwareX\, 2019 \nAbstract: This paper shows how to quantify and test for the information flow between two time series with Shannon transfer entropy and Rényi transfer entropy using the R package RTransferEntropy. We discuss the methodology\, the bias correction applied to calculate effective transfer entropy and outline how to conduct statistical inference. Furthermore\, we describe the package in detail and demonstrate its functionality by means of several simulated processes and present an application to financial time series.
URL:https://www.ibs.re.kr/bimag/event/2022-04-08-jc/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220401T130000
DTEND;TZID=Asia/Seoul:20220401T140000
DTSTAMP:20260423T050238
CREATED:20220331T190000Z
LAST-MODIFIED:20220320T093117Z
UID:5564-1648818000-1648821600@www.ibs.re.kr
SUMMARY:Physics-informed learning of governing equations from scarce data
DESCRIPTION:We will discuss about “Physics-informed learning of governing equations from scarce data”\, Chen et al.\, Nature Communications\, 2021 \nAbstract: Extracting governing equations from data is a central challenge in many diverse areas of science and engineering. Data are abundant whereas models often remain elusive\, as in climate science\, neuroscience\, ecology\, finance\, and epidemiology\, to name only a few examples. In this work\, we combine sparsity-promoting techniques and machine learning with nonlinear dynamical systems to discover governing equations from noisy measurement data. The only assumption about the structure of the model is that there are only a few important terms that govern the dynamics\, so that the equations are sparse in the space of possible functions; this assumption holds for many physical systems in an appropriate basis. In particular\, we use sparse regression to determine the fewest terms in the dynamic governing equations required to accurately represent the data. This results in parsimonious models that balance accuracy with model complexity to avoid overfitting. We demonstrate the algorithm on a wide range of problems\, from simple canonical systems\, including linear and nonlinear oscillators and the chaotic Lorenz system\, to the fluid vortex shedding behind an obstacle. The fluid example illustrates the ability of this method to discover the underlying dynamics of a system that took experts in the community nearly 30 years to resolve. We also show that this method generalizes to parameterized systems and systems that are time-varying or have external forcing.
URL:https://www.ibs.re.kr/bimag/event/2022-04-01/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220325T130000
DTEND;TZID=Asia/Seoul:20220325T140000
DTSTAMP:20260423T050238
CREATED:20220317T190000Z
LAST-MODIFIED:20220224T015444Z
UID:5562-1648213200-1648216800@www.ibs.re.kr
SUMMARY:Universal structural requirements for maximal robust perfect adaptation in biomolecular networks
DESCRIPTION:Abstract: Consider a biomolecular reaction network that exhibits robust perfect adaptation to disturbances from several parallel sources. The well-known Internal Model Principle of control theory suggests that such systems must include a subsystem (called the “internal model”) that is able to recreate the dynamic structure of the disturbances. This requirement poses certain structural constraints on the network which we elaborate in this paper for the scenario where constant-in-time disturbances maximally affect network interactions and there is model uncertainty and possible stochasticity in the dynamics. We prove that these structural constraints are primarily characterized by a simple linear-algebraic stoichiometric condition which remains the same for both deterministic and stochastic descriptions of the dynamics. Our results reveal the essential requirements for maximal robust perfect adaptation in biology\, with important implications for both systems and synthetic biology. We exemplify our results through many known examples of robustly adapting networks and we construct new examples of such networks with the aid of our linear-algebraic characterization.
URL:https://www.ibs.re.kr/bimag/event/2022-03-18/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220318T130000
DTEND;TZID=Asia/Seoul:20220318T140000
DTSTAMP:20260423T050239
CREATED:20220310T190000Z
LAST-MODIFIED:20220224T015419Z
UID:5560-1647608400-1647612000@www.ibs.re.kr
SUMMARY:Data-driven discovery of coordinates and governing equations
DESCRIPTION:Abstract: The discovery of governing equations from scientific data has the potential to transform data-rich fields that lack well-characterized quantitative descriptions. Advances in sparse regression are currently enabling the tractable identification of both the structure and parameters of a nonlinear dynamical system from data. The resulting models have the fewest terms necessary to describe the dynamics\, balancing model complexity with descriptive ability\, and thus promoting interpretability and generalizability. This provides an algorithmic approach to Occam’s razor for model discovery. However\, this approach fundamentally relies on an effective coordinate system in which the dynamics have a simple representation. In this work\, we design a custom deep autoencoder network to discover a coordinate transformation into a reduced space where the dynamics may be sparsely represented. Thus\, we simultaneously learn the governing equations and the associated coordinate system. We demonstrate this approach on several example high-dimensional systems with low-dimensional behavior. The resulting modeling framework combines the strengths of deep neural networks for flexible representation and sparse identification of nonlinear dynamics (SINDy) for parsimonious models. This method places the discovery of coordinates and models on an equal footing.
URL:https://www.ibs.re.kr/bimag/event/2022-03-11/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220311T130000
DTEND;TZID=Asia/Seoul:20220311T140000
DTSTAMP:20260423T050239
CREATED:20220303T190000Z
LAST-MODIFIED:20220224T015356Z
UID:5558-1647003600-1647007200@www.ibs.re.kr
SUMMARY:Transcription factor competition facilitates self-sustained oscillations in single gene genetic circuits
DESCRIPTION:Abstract: Genetic feedback loops can be used by cells as a means to regulate internal processes or keep track of time. It is often thought that\, for a genetic circuit to display self-sustained oscillations\, a degree of cooperativity is needed in the binding and unbinding of actor species. This cooperativity is usually modeled using a Hill function\, regardless of the actual promoter architecture. Moreover\, genetic circuits do not operate in isolation and often transcription factors are shared between different promoters. In this work we show how mathematical modelling of genetic feedback loops can be facilitated with a mechanistic fold-change function that takes into account the titration effect caused by competing binding sites for transcription factors. The model shows how the titration effect aids self-sustained oscillations in a minimal genetic feedback loop: a gene that produces its own repressor directly — without cooperative transcription factor binding. The use of delay differential equations leads to a stability contour that predicts whether a genetic feedback loop will show self-sustained oscillations\, even when taking the bursty nature of transcription into account. \n 
URL:https://www.ibs.re.kr/bimag/event/2022-03-04/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220304T130000
DTEND;TZID=Asia/Seoul:20220304T140000
DTSTAMP:20260423T050239
CREATED:20220224T190000Z
LAST-MODIFIED:20220224T015333Z
UID:5556-1646398800-1646402400@www.ibs.re.kr
SUMMARY:Modeling polypharmacy side effects with graph convolutional networks
DESCRIPTION:We will discuss about “Modeling polypharmacy side effects with graph convolutional networks”\, Zitnik\, Agrawal\, and Leskovec\, Bioinformatics\, 2018 \nMotivation\nThe use of drug combinations\, termed polypharmacy\, is common to treat patients with complex diseases or co-existing conditions. However\, a major consequence of polypharmacy is a much higher risk of adverse side effects for the patient. Polypharmacy side effects emerge because of drug-drug interactions\, in which activity of one drug may change\, favorably or unfavorably\, if taken with another drug. The knowledge of drug interactions is often limited because these complex relationships are rare\, and are usually not observed in relatively small clinical testing. Discovering polypharmacy side effects thus remains an important challenge with significant implications for patient mortality and morbidity. \nResults\nHere\, we present Decagon\, an approach for modeling polypharmacy side effects. The approach constructs a multimodal graph of protein-protein interactions\, drug-protein target interactions and the polypharmacy side effects\, which are represented as drug-drug interactions\, where each side effect is an edge of a different type. Decagon is developed specifically to handle such multimodal graphs with a large number of edge types. Our approach develops a new graph convolutional neural network for multirelational link prediction in multimodal networks. Unlike approaches limited to predicting simple drug-drug interaction values\, Decagon can predict the exact side effect\, if any\, through which a given drug combination manifests clinically. Decagon accurately predicts polypharmacy side effects\, outperforming baselines by up to 69%. We find that it automatically learns representations of side effects indicative of co-occurrence of polypharmacy in patients. Furthermore\, Decagon models particularly well polypharmacy side effects that have a strong molecular basis\, while on predominantly non-molecular side effects\, it achieves good performance because of effective sharing of model parameters across edge types. Decagon opens up opportunities to use large pharmacogenomic and patient population data to flag and prioritize polypharmacy side effects for follow-up analysis via formal pharmacological studies.
URL:https://www.ibs.re.kr/bimag/event/2022-02-25/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220218T130000
DTEND;TZID=Asia/Seoul:20220218T140000
DTSTAMP:20260423T050239
CREATED:20220130T031904Z
LAST-MODIFIED:20220130T031904Z
UID:5554-1645189200-1645192800@www.ibs.re.kr
SUMMARY:A Deficiency-Based Approach to Parametrizing Positive Equilibria of Biochemical Reaction Systems
DESCRIPTION:We will discuss about “A Deficiency-Based Approach to Parametrizing Positive Equilibria of Biochemical Reaction Systems”\, Johnston\, Müller\, and Pantea\, Bulletin of Mathematical Biology\, 2019 \nWe present conditions which guarantee a parametrization of the set of positive equilibria of a generalized mass-action system. Our main results state that (1) if the underlying generalized chemical reaction network has an effective deficiency of zero\, then the set of positive equilibria coincides with the parametrized set of complex-balanced equilibria and (2) if the network is weakly reversible and has a kinetic deficiency of zero\, then the equilibrium set is nonempty and has a positive\, typically rational\, parametrization. Via the method of network translation\, we apply our results to classical mass-action systems studied in the biochemical literature\, including the EnvZ–OmpR and shuttled WNT signaling pathways. A parametrization of the set of positive equilibria of a (generalized) mass-action system is often a prerequisite for the study of multistationarity and allows an easy check for the occurrence of absolute concentration robustness\, as we demonstrate for the EnvZ–OmpR pathway.
URL:https://www.ibs.re.kr/bimag/event/2022-02-18/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220211T130000
DTEND;TZID=Asia/Seoul:20220211T140000
DTSTAMP:20260423T050239
CREATED:20220210T190000Z
LAST-MODIFIED:20220208T054847Z
UID:5552-1644584400-1644588000@www.ibs.re.kr
SUMMARY:Phiclust: a clusterability measure for single-cell transcriptomics reveals phenotypic subpopulations
DESCRIPTION:We will discuss about “Phiclust: a clusterability measure for single-cell transcriptomics reveals phenotypic subpopulations”\, Mircea et al.\, 2022\, Genome Biology \nThe ability to discover new cell phenotypes by unsupervised clustering of single-cell transcriptomes has revolutionized biology. Currently\, there is no principled way to decide whether a cluster of cells contains meaningful subpopulations that should be further resolved. Here\, we present phiclust (ϕ_clust)\, a clusterability measure derived from random matrix theory that can be used to identify cell clusters with non-random substructure\, testably leading to the discovery of previously overlooked phenotypes.
URL:https://www.ibs.re.kr/bimag/event/2022-02-11/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220204T130000
DTEND;TZID=Asia/Seoul:20220204T140000
DTSTAMP:20260423T050239
CREATED:20220126T170000Z
LAST-MODIFIED:20220125T115800Z
UID:5397-1643979600-1643983200@www.ibs.re.kr
SUMMARY:Mechanisms for the generation of robust circadian oscillations through ultrasensitivity and differential binding affinity
DESCRIPTION:We will discuss about “Mechanisms for the generation of robust circadian oscillations through ultrasensitivity and differential binding affinity”\, Behera\, Junco\, and Vaikuntanathan\, The Journal of Physical Chemistry B\, 2021 \nBiochemical circadian rhythm oscillations play an important role in many signaling mechanisms. In this work\, we explore some of the biophysical mechanisms responsible for sustaining robust oscillations by constructing a minimal but analytically tractable model of the circadian oscillations in the KaiABC protein system found in the cyanobacteria S. elongatus. In particular\, our minimal model explicitly accounts for two experimentally characterized biophysical features of the KaiABC protein system\, namely\, a differential binding affinity and an ultrasensitive response. Our analytical work shows how these mechanisms might be crucial for promoting robust oscillations even in suboptimal nutrient conditions. Our analytical and numerical work also identifies mechanisms by which biological clocks can stably maintain a constant time period under a variety of nutrient conditions. Finally\, our work also explores the thermodynamic costs associated with the generation of robust sustained oscillations and shows that the net rate of entropy production alone might not be a good figure of merit to asses the quality of oscillations. \n 
URL:https://www.ibs.re.kr/bimag/event/2022-02-04/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220119T110000
DTEND;TZID=Asia/Seoul:20220119T120000
DTSTAMP:20260423T050239
CREATED:20220118T170000Z
LAST-MODIFIED:20220115T115214Z
UID:5400-1642590000-1642593600@www.ibs.re.kr
SUMMARY:Network design principle for robust oscillatory behaviors with respect to biological noise
DESCRIPTION:We will discuss about “Network design principle for robust oscillatory behaviors with respect to biological noise”\, Qiao et al\, bioRxiv\, 2021 \nOscillatory behaviors\, which are ubiquitous in transcriptional regulatory networks\, are often subject to inevitable biological noise. Thus a natural question is how transcriptional regulatory networks can robustly achieve accurate oscillation in the presence of biological noise. Here\, we search all two- and three-node transcriptional regulatory network topologies for those robustly capable of accurate oscillation against the parameter variability (extrinsic noise) or stochasticity of chemical reactions (intrinsic noise). We find that\, no matter what source of the noise is applied\, the topologies containing the repressilator with positive auto-regulation show higher robustness of accurate oscillation than those containing the activator-inhibitor oscillator\, and additional positive auto-regulation enhances the robustness against noise. Nevertheless\, the attenuation of different sources of noise is governed by distinct mechanisms: the parameter variability is buffered by the long period\, while the stochasticity of chemical reactions is filtered by the high amplitude. Furthermore\, we analyze the noise of a synthetic human nuclear factor κB (NF-κB) signaling network by varying three different topologies\, and verify that the addition of a repressilator to the activator-inhibitor oscillator\, which leads to the emergence of high-robustness motif—the repressilator with positive auto-regulation\, improves the oscillation accuracy in comparison to the topology with only an activator-inhibitor oscillator. These design principles may be applicable to other oscillatory circuits.
URL:https://www.ibs.re.kr/bimag/event/2022-01-19/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220113T130000
DTEND;TZID=Asia/Seoul:20220113T140000
DTSTAMP:20260423T050239
CREATED:20220112T190000Z
LAST-MODIFIED:20220112T070151Z
UID:5395-1642078800-1642082400@www.ibs.re.kr
SUMMARY:Quasi-Entropy Closure: A Fast and Reliable Approach to Close the Moment Equations of the Chemical Master Equation
DESCRIPTION:We will discuss about “Quasi-Entropy Closure: A Fast and Reliable Approach to Close the Moment Equations of the Chemical Master Equation”\, Wagner et al\, bioRxiv\, 2021 \nMotivation: The Chemical Master Equation is the most comprehensive stochastic approach to describe the evolution of a (bio-)chemical reaction system. Its solution is a time-dependent probability distribution on all possible configurations of the system. As the number of possible configurations is typically very large\, the Master Equation is often practically unsolvable. The Method of Moments reduces the system to the evolution of a few moments of this distribution\, which are described by a system of ordinary differential equations. Those equations are not closed\, since lower order moments generally depend on higher order moments. Various closure schemes have been suggested to solve this problem\, with different advantages and limitations. Two major problems with these approaches are first that they are open loop systems\, which can diverge from the true solution\, and second\, some of them are computationally expensive. \nResults: Here we introduce Quasi-Entropy Closure\, a moment closure scheme for the Method of Moments which estimates higher order moments by reconstructing the distribution that minimizes the distance to a uniform distribution subject to lower order moment constraints. Quasi-Entropy closure is similar to Zero-Information closure\, which maximizes the information entropy. Results show that both approaches outperform truncation schemes. Moreover\, Quasi-Entropy Closure is computationally much faster than Zero-Information Closure. Finally\, our scheme includes a plausibility check for the existence of a distribution satisfying a given set of moments on the feasible set of configurations. Results are evaluated on different benchmark problems.
URL:https://www.ibs.re.kr/bimag/event/2022-01-13/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20220107T130000
DTEND;TZID=Asia/Seoul:20220107T140000
DTSTAMP:20260423T050239
CREATED:20220106T190000Z
LAST-MODIFIED:20211224T001535Z
UID:5363-1641560400-1641564000@www.ibs.re.kr
SUMMARY:Fundamental limits on the suppression of molecular fluctuations
DESCRIPTION:We will discuss about “Fundamental limits on the suppression of molecular fluctuations”\, Lestas et al\, Nature\, 2010 \nAbstract: Negative feedback is common in biological processes and can increase a system’s stability to internal and external perturbations. But at the molecular level\, control loops always involve signalling steps with finite rates for random births and deaths of individual molecules. Here we show\, by developing mathematical tools that merge control and information theory with physical chemistry\, that seemingly mild constraints on these rates place severe limits on the ability to suppress molecular fluctuations. Specifically\, the minimum standard deviation in abundances decreases with the quartic root of the number of signalling events\, making it extremely expensive to increase accuracy. Our results are formulated in terms of experimental observables\, and existing data show that cells use brute force when noise suppression is essential; for example\, regulatory genes are transcribed tens of thousands of times per cell cycle. The theory challenges conventional beliefs about biochemical accuracy and presents an approach to the rigorous analysis of poorly characterized biological systems.
URL:https://www.ibs.re.kr/bimag/event/2022-01-07/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211231T130000
DTEND;TZID=Asia/Seoul:20211231T140000
DTSTAMP:20260423T050239
CREATED:20211230T190000Z
LAST-MODIFIED:20211227T004211Z
UID:5306-1640955600-1640959200@www.ibs.re.kr
SUMMARY:The Generalized Multiset Sampler
DESCRIPTION:We will discuss about “The Generalized Multiset Sampler”\, Kim and MacEachern\, The Journal of Computation and Graphical Statistics\, 2021 \nAbstract: The multiset sampler\, an MCMC algorithm recently proposed by Leman and coauthors\, is an easy-to-implement algorithm which is especially well-suited to drawing samples from a multimodal distribution. We generalize the algorithm by redefining the multiset sampler with an explicit link between target distribution and sampling distribution. The generalized formulation replaces the multiset with a K-tuple\, which allows us to use the algorithm on unbounded parameter spaces\, improves estimation\, and sets up further extensions to adaptive MCMC techniques. Theoretical properties of the algorithm are provided and guidance is given on its implementation. Examples\, both simulated and real\, confirm that the generalized multiset sampler provides a simple\, general and effective approach to sampling from multimodal distributions. Supplementary materials for this article are available online.
URL:https://www.ibs.re.kr/bimag/event/2021-12-31/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211224T130000
DTEND;TZID=Asia/Seoul:20211224T140000
DTSTAMP:20260423T050239
CREATED:20211223T190000Z
LAST-MODIFIED:20211221T043551Z
UID:5302-1640350800-1640354400@www.ibs.re.kr
SUMMARY:Information Integration and Energy Expenditure in Gene Regulation
DESCRIPTION:We will discuss about “Information Integration and Energy Expenditure in Gene Regulation”\, Estrada et al.\, Cell\, 2016 \nAbstract: The quantitative concepts used to reason about gene regulation largely derive from bacterial studies. We show that this bacterial paradigm cannot explain the sharp expression of a canonical developmental gene in response to a regulating transcription factor (TF). In the absence of energy expenditure\, with regulatory DNA at thermodynamic equilibrium\, information integration across multiple TF binding sites can generate the required sharpness\, but with strong constraints on the resultant “higher-order cooperativities.” Even with such integration\, there is a “Hopfield barrier” to sharpness; for n TF binding sites\, this barrier is represented by the Hill function with the Hill coefficient n. If\, however\, energy is expended to maintain regulatory DNA away from thermodynamic equilibrium\, as in kinetic proofreading\, this barrier can be breached and greater sharpness achieved. Our approach is grounded in fundamental physics\, leads to testable experimental predictions\, and suggests how a quantitative paradigm for eukaryotic gene regulation can be formulated.
URL:https://www.ibs.re.kr/bimag/event/2021-12-24/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211215T143000
DTEND;TZID=Asia/Seoul:20211215T160000
DTSTAMP:20260423T050239
CREATED:20211214T190000Z
LAST-MODIFIED:20211214T070933Z
UID:5299-1639578600-1639584000@www.ibs.re.kr
SUMMARY:Stiff-PINN: Physics-Informed Neural Network for Stiff Chemical Kinetics
DESCRIPTION:We will discuss about “Stiff-PINN: Physics-Informed Neural Network for Stiff Chemical Kinetics”\, Ji et al.\, The Journal of Physical Chemistry A\, 2020 \nThe recently developed physics-informed neural network (PINN) has achieved success in many science and engineering disciplines by encoding physics laws into the loss functions of the neural network such that the network not only conforms to the measurements and initial and boundary conditions but also satisfies the governing equations. This work first investigates the performance of the PINN in solving stiff chemical kinetic problems with governing equations of stiff ordinary differential equations (ODEs). The results elucidate the challenges of utilizing the PINN in stiff ODE systems. Consequently\, we employ quasi-steady-state assumption (QSSA) to reduce the stiffness of the ODE systems\, and the PINN then can be successfully applied to the converted non-/mild-stiff systems. Therefore\, the results suggest that stiffness could be the major reason for the failure of the regular PINN in the studied stiff chemical kinetic systems. The developed stiff-PINN approach that utilizes QSSA to enable the PINN to solve stiff chemical kinetics shall open the possibility of applying the PINN to various reaction-diffusion systems involving stiff dynamics.
URL:https://www.ibs.re.kr/bimag/event/2021-12-15/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211126T100000
DTEND;TZID=Asia/Seoul:20211126T110000
DTSTAMP:20260423T050239
CREATED:20211124T190000Z
LAST-MODIFIED:20211122T014405Z
UID:5190-1637920800-1637924400@www.ibs.re.kr
SUMMARY:A Random Matrix Theory Approach to Denoise Single-Cell Data
DESCRIPTION:We will discuss about “A Random Matrix Theory Approach to Denoise Single-Cell Data”\, Aparicio et al.\, Patterns\, 2020 \nSingle-cell technologies provide the opportunity to identify new cellular states. However\, a major obstacle to the identification of biological signals is noise in single-cell data. In addition\, single-cell data are very sparse. We propose a new method based on random matrix theory to analyze and denoise single-cell sequencing data. The method uses the universal distributions predicted by random matrix theory for the eigenvalues and eigenvectors of random covariance/Wishart matrices to distinguish noise from signal. In addition\, we explain how sparsity can cause spurious eigenvector localization\, falsely identifying meaningful directions in the data. We show that roughly 95% of the information in single-cell data is compatible with the predictions of random matrix theory\, about 3% is spurious signal induced by sparsity\, and only the last 2% reflects true biological signal. We demonstrate the effectiveness of our approach by comparing with alternative techniques in a variety of examples with marked cell populations.
URL:https://www.ibs.re.kr/bimag/event/a-random-matrix-theory-approach-to-denoise-single-cell-data/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211118T130000
DTEND;TZID=Asia/Seoul:20211118T140000
DTSTAMP:20260423T050239
CREATED:20211117T190000Z
LAST-MODIFIED:20211101T080821Z
UID:5187-1637240400-1637244000@www.ibs.re.kr
SUMMARY:Solving Singular Control Problems in Mathematical Biology\, Using PASA
DESCRIPTION:We will discuss about “Solving Singular Control Problems in Mathematical Biology\, Using PASA”\, Atkins et al.\, arXiv\, 2020 \nIn this paper\, we will demonstrate how to use a nonlinear polyhedral constrained optimization solver called the Polyhedral Active Set Algorithm (PASA) for solving a general singular control problem. We present methods of discretizing a general optimal control problem that involves the use of the gradient of the Lagrangian for computing the gradient of the cost functional so that PASA can be applied. When a numerical solution contains artifacts that resemble “chattering”\, a phenomenon where the control oscillates wildly along the singular region\, we recommend a method of regularizing the singular control problem by adding a term to the cost functional that measures a scalar multiple of the total variation of the control\, where the scalar is viewed as a tuning parameter. We then demonstrate PASA’s performance on three singular control problems that give rise to different applications of mathematical biology. We also provide some exposition on the heuristics that we use in determining an appropriate size for the tuning parameter.
URL:https://www.ibs.re.kr/bimag/event/2021-11-18-2/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211112T110000
DTEND;TZID=Asia/Seoul:20211112T120000
DTSTAMP:20260423T050239
CREATED:20211111T170000Z
LAST-MODIFIED:20211111T084242Z
UID:5185-1636714800-1636718400@www.ibs.re.kr
SUMMARY:Detecting and quantifying causal associations in large nonlinear time series datasets
DESCRIPTION:We will discuss about “Detecting and quantifying causal associations in large nonlinear time series datasets”\, Runge et al.\, Science Advances\, 2019 \nIdentifying causal relationships and quantifying their strength from observational time series data are key problems in disciplines dealing with complex dynamical systems such as the Earth system or the human body. Data-driven causal inference in such systems is challenging since datasets are often high dimensional and nonlinear with limited sample sizes. Here\, we introduce a novel method that flexibly combines linear or nonlinear conditional independence tests with a causal discovery algorithm to estimate causal networks from large-scale time series datasets. We validate the method on time series of well-understood physical mechanisms in the climate system and the human heart and using large-scale synthetic datasets mimicking the typical properties of real-world data. The experiments demonstrate that our method outperforms state-of-the-art techniques in detection power\, which opens up entirely new possibilities to discover and quantify causal networks from time series across a range of research fields.
URL:https://www.ibs.re.kr/bimag/event/2021-11-12-2/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211022T130000
DTEND;TZID=Asia/Seoul:20211022T140000
DTSTAMP:20260423T050239
CREATED:20211021T190000Z
LAST-MODIFIED:20211001T062513Z
UID:5061-1634907600-1634911200@www.ibs.re.kr
SUMMARY:Filtering and inference for stochastic oscillators with distributed delays
DESCRIPTION:We will discuss about “Filtering and inference for stochastic oscillators with distributed delays”\, Calderazzo et al.\, Bioinformatics\, 2018 at the Journal Club \n\n\n\n\nMotivation\nThe time evolution of molecular species involved in biochemical reaction networks often arises from complex stochastic processes involving many species and reaction events. Inference for such systems is profoundly challenged by the relative sparseness of experimental data\, as measurements are often limited to a small subset of the participating species measured at discrete time points. The need for model reduction can be realistically achieved for oscillatory dynamics resulting from negative translational and transcriptional feedback loops by the introduction of probabilistic time-delays. Although this approach yields a simplified model\, inference is challenging and subject to ongoing research. The linear noise approximation (LNA) has recently been proposed to address such systems in stochastic form and will be exploited here. \n\n\nResults\nWe develop a novel filtering approach for the LNA in stochastic systems with distributed delays\, which allows the parameter values and unobserved states of a stochastic negative feedback model to be inferred from univariate time-series data. The performance of the methods is tested for simulated data. Results are obtained for real data when the model is fitted to imaging data on Cry1\, a key gene involved in the mammalian central circadian clock\, observed via a luciferase reporter construct in a mouse suprachiasmatic nucleus. \n\n\nAvailability and implementation\nProgrammes are written in MATLAB and Statistics Toolbox Release 2016 b\, The MathWorks\, Inc.\, Natick\, Massachusetts\, USA. Sample code and Cry1 data are available on GitHub https://github.com/scalderazzo/FLNADD.
URL:https://www.ibs.re.kr/bimag/event/2021-10-22-2/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
BEGIN:VEVENT
DTSTART;TZID=Asia/Seoul:20211008T140000
DTEND;TZID=Asia/Seoul:20211008T150000
DTSTAMP:20260423T050239
CREATED:20211007T190000Z
LAST-MODIFIED:20211006T081805Z
UID:4912-1633701600-1633705200@www.ibs.re.kr
SUMMARY:Balanced truncation for model reduction of biological oscillators
DESCRIPTION:We will discuss about “Balanced truncation for model reduction of biological oscillators”\, Padoan et al.\, Biological Cybernetics\, 2021 \nModel reduction is a central problem in mathematical biology. Reduced order models enable modeling of a biological system at different levels of complexity and the quantitative analysis of its properties\, like sensitivity to parameter variations and resilience to exogenous perturbations. However\, available model reduction methods often fail to capture a diverse range of nonlinear behaviors observed in biology\, such as multistability and limit cycle oscillations. The paper addresses this need using differential analysis. This approach leads to a nonlinear enhancement of classical balanced truncation for biological systems whose behavior is not restricted to the stability of a single equilibrium. Numerical results suggest that the proposed framework may be relevant to the approximation of classical models of biological systems.
URL:https://www.ibs.re.kr/bimag/event/2021-10-8/
LOCATION:B378 Seminar room\, IBS\, 55 Expo-ro Yuseong-gu\, Daejeon\, 34126\, Korea\, Republic of
CATEGORIES:Journal Club
ORGANIZER;CN="Jae Kyoung Kim":MAILTO:jaekkim@kaist.ac.kr
END:VEVENT
END:VCALENDAR