Poisson variational autoencoders introduce a metabolic cost term that penalizes high baseline activity.
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Machine learning identifies key metabolic control circuits in bacterial pathways.
Metabolic flux balance analyses are a standard tool in analysing metabolic reaction rates compatible with measurements, steady-state and the metabolic reaction network stoichiometry. Flux analysis methods commonly place unrealistic assumptions on fluxes due to the convenience of formulating the problem as a linear prog…
With the maturation of metabolomics science and proliferation of biobanks, clinical metabolic profiling is an increasingly opportunistic frontier for advancing translational clinical research. Automated Machine Learning (AutoML) approaches provide exciting opportunity to guide feature selection in agnostic metabolic pr…
In a classic paper Zeeman introduced the k-twist spin of a knot K and showed that the exterior of a twist spin fibers over S^1. In particular this result shows that the knot K # -K is doubly slice. In this paper we give a quick proof of Zeeman's result. The k-twist spin of K also gives rise to two metabolizers for K # …
It is known that the linking form on the 2-cover of slice knots has a metabolizer. We show that several weaker conditions, or some other conditions related to sliceness, do not imply the existence of a metabolizer. We then show how the Rudolph-Bennequin inequality can be used indirectly to prove that some knots are not…
A derivative of an algebraically slice knot is an oriented link disjointly embedded in a Seifert surface of such that its homology class forms a basis for a metabolizer of . We show that for a genus three algebraically slice knot , the set $\{ \barμ_{\{γ_1,γ_2,γ_3\}}(123) - \barμ_{\{γ'_1,γ'_2,γ'_3\}}(…
During the last two decades, we easilly see that the World Wide Web's link structure is modeled as the directed graph. In this paper, we will model the World Wide Web's link structure as the directed hypergraph. Moreover, we will develop the PageRank algorithm for this directed hypergraph. Due to the lack of the World …
For n >1, if the Seifert form of a knotted 2n-1 sphere K in S^{2n+1} has a metabolizer, then the knot is slice. Casson and Gordon proved that this is false in dimension three (n = 1). However, in the three dimensional case it is true that if the metabolizer has a basis represented by a strongly slice link then K is sli…
Study compares atom representations in graph neural networks for molecular properties.
We introduce, test and discuss a method for classifying and clustering data modeled as directed graphs. The idea is to start diffusion processes from any subset of a data collection, generating corresponding distributions for reaching points in the network. These distributions take the form of high-dimensional numerica…
The paper corrects a proof and extends a theorem about linking pairings in 4-manifolds.
This work uses Sylvester normalizing flows for more accurate metabolite quantification in MRS.
Deep learning models accurately recognize and estimate physical activity types and energy expenditure from wrist accelerometer data.
PolytopeWalk library efficiently samples high-dimensional polytopes.
Novel method identifies proteomic risk markers for Alzheimer disease.
This work demonstrates the execution of a novel process model for knowledge discovery and data mining for metabolomics (MeKDDaM). It aims to illustrate MeKDDaM process model applicability using four different real-world applications and to highlight its strengths and unique features. The demonstrated applications provi…
ODBAE detects complex phenotypes in biological data.
Bayesian Optimization (BO) is a data-efficient method for global black-box optimization of an expensive-to-evaluate fitness function. BO typically assumes that computation cost of BO is cheap, but experiments are time consuming or costly. In practice, this allows us to optimize ten or fewer critical parameters in up to…
New method uses surrogate gradients to train efficient spiking networks on neuromorphic hardware.
The difference between slice and doubly-slice knots is reflected in algebra by the difference between metabolic and hyperbolic Blanchfield linking forms. We exploit this algebraic distinction to refine the classical Witt group of linking forms by defining a `double Witt group' of linking forms. We calculate the double …
Method predicts NAFLD risk with high accuracy and distribution-free coverage guarantees.
We show that a steady-state stock-flow consistent macro-economic model can be represented as a Constraint Satisfaction Problem (CSP).The set of solutions is a polytope, which volume depends on the constraintsapplied and reveals the potential fragility of the economic circuit,with no need to study the dynamics. Several …
We develop a theory of chain complex double-cobordism for chain complexes equipped with Poincaré duality. The resulting double-cobordism groups are a refinement of Ranicki's torsion algebraic -groups for localisations of a commutative ring with involution. The refinement is analogous to the difference between metabo…
We consider the problem of joint modelling of metabolic signals and gene expression in systems biology applications. We propose an approach based on input-output factorial hidden Markov models and propose a structured variational inference approach to infer the structure and states of the model. We start from the class…
Let L be a nonunimodular definite lattice. Using a theorem of Elkies we show that whether L embeds in the standard definite lattice of the same rank is completely determined by a collection of lattice correction terms, one for each metabolizing subgroup of the discriminant group. As a topological application this gives…
We define a set of "second-order" L^(2)-signature invariants for any algebraically slice knot. These obstruct a knot's being a slice knot and generalize Casson-Gordon invariants, which we consider to be "first-order signatures". As one application we prove: If K is a genus one slice knot then, on any genus one Seifert …
A robust algorithm for non-negative matrix factorization (NMF) is presented in this paper with the purpose of dealing with large-scale data, where the separability assumption is satisfied. In particular, we modify the Linear Programming (LP) algorithm of [9] by introducing a reduced set of constraints for exact NMF. In…
The Absorption, Distribution, Metabolism, Elimination, and Toxicity (ADMET) properties of drug candidates are estimated to account for up to 50% of all clinical trial failures. Predicting ADMET properties has therefore been of great interest to the cheminformatics and medicinal chemistry communities in recent decades. …
Clarifies the confidence interval approach for bioequivalence testing.
We compute the group of link homotopy classes of link maps of two 2-spheres into 4-space. It turns out to be free abelian, generated by geometric constructions applied to the Fenn-Rolfsen link map and detected by two self-intersection invariants introduced by Paul Kirk in this setting. As a corollary, we show that any …
For effective treatment of Alzheimer disease (AD), it is important to identify subjects who are most likely to exhibit rapid cognitive decline. Herein, we developed a novel framework based on a deep convolutional neural network which can predict future cognitive decline in mild cognitive impairment (MCI) patients using…
Biology has changed radically in the last two decades, transitioning from a descriptive science into a design science. Synthetic biology allows us to bioengineer cells to synthesize novel valuable molecules such as renewable biofuels or anticancer drugs. However, traditional synthetic biology approaches involve ad-hoc …
Paper introduces a novel framework for supervised graph prediction using Optimal Transport.
Deep learning improves MRI analysis of MSK disorders.
Diabetes mellitus is a common disease of human body caused by a group of metabolic disorders where the sugar levels over a prolonged period is very high. It affects different organs of the human body which thus harm a large number of the body's system, in particular the blood veins and nerves. Early prediction in such …
In a large E-commerce platform, all the participants compete for impressions under the allocation mechanism of the platform. Existing methods mainly focus on the short-term return based on the current observations instead of the long-term return. In this paper, we formally establish the lifecycle model for products, by…
Study improves LLMs for PPI analysis by addressing uncertainty.
AI enhances microbiology and microbiome research through machine learning.
Framework predicts mortality risk in MAFLD subjects.
POEM predicts drug properties without tuning, outperforming other methods.
Type 2 Diabetes (T2D) is a chronic metabolic disorder that can lead to blindness and cardiovascular disease. Information about early stage T2D might be present in retinal fundus images, but to what extent these images can be used for a screening setting is still unknown. In this study, deep neural networks were employe…
Imaging-based early diagnosis of Alzheimer Disease (AD) has become an effective approach, especially by using nuclear medicine imaging techniques such as Positron Emission Topography (PET). In various literature it has been found that PET images can be better modeled as signals (e.g. uptake of florbetapir) defined on a…
Networks have in recent years emerged as an invaluable tool for describing and quantifying complex systems in many branches of science. Recent studies suggest that networks often exhibit hierarchical organization, where vertices divide into groups that further subdivide into groups of groups, and so forth over multiple…
We consider the link prediction problem in a partially observed network, where the objective is to make predictions in the unobserved portion of the network. Many existing methods reduce link prediction to binary classification problem. However, the dominance of absent links in real world networks makes misclassificati…
Paper presents estimators for entropy and information in probabilistic models.
Neural responses are highly variable, and some portion of this variability arises from fluctuations in modulatory factors that alter their gain, such as adaptation, attention, arousal, expected or actual reward, emotion, and local metabolic resource availability. Regardless of their origin, fluctuations in these signal…
Develops methods for GWAS of high dimensional phenotypes using summary statistics.