Machine learning identifies key metabolic control circuits in bacterial pathways.
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Develops methods for GWAS of high dimensional phenotypes using summary statistics.
Novel method identifies proteomic risk markers for Alzheimer disease.
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…
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…
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\}}(…
Poisson variational autoencoders introduce a metabolic cost term that penalizes high baseline activity.
Paper uses machine learning to identify key pathways for c-di-GMP in bacterial genomes.
PKB framework boosts genomic data analysis by integrating pathway knowledge.
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 …
The analysis of cancer genomic data has long suffered "the curse of dimensionality". Sample sizes for most cancer genomic studies are a few hundreds at most while there are tens of thousands of genomic features studied. Various methods have been proposed to leverage prior biological knowledge, such as pathways, to more…
Bayesian approach infers signaling pathways from data.
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…
PUMA interprets metabolomics data to predict pathway activity and assign chemical identities.
We categorise coherent band (aka nullification) pathways between knots and 2-component links. Additionally, we characterise the minimal coherent band pathways (with intermediates) between any two knots or 2-component links with small crossing number. We demonstrate these band surgeries for knots and links with small cr…
CRNN discovers chemical reaction pathways from data.
Bayesian hypergraph inference models disease pathways from EHR data.
In many scientific studies, it becomes increasingly important to delineate the causal pathways through a large number of mediators, such as genetic and brain mediators. Structural equation modeling (SEM) is a popular technique to estimate the pathway effects, commonly expressed as products of coefficients. However, it …
Identifying altered pathways that are associated with specific cancer types can potentially bring a significant impact on cancer patient treatment. Accurate identification of such key altered pathways information can be used to develop novel therapeutic agents as well as to understand the molecular mechanisms of variou…
Motivated by an important insight from neural science, we propose a new framework for understanding the success of the recently proposed "maxout" networks. The framework is based on encoding information on sparse pathways and recognizing the correct pathway at inference time. Elaborating further on this insight, we pro…
Joint replacement is the most common inpatient surgical treatment in the US. We investigate the clinical pathway optimization for knee replacement, which is a sequential decision process from onset to recovery. Based on episodic claims from previous cases, we view the pathway optimization as an intelligence crowdsourci…
Complex systems may contain heterogeneous types of variables that interact in a multi-level and multi-scale manner. In this context, high-level layers may considered as groups of variables interacting in lower-level layers. This is particularly true in biology, where, for example, genes are grouped in pathways and two …
This research improves multitask learning by creating task-specific pathways.
Study compares atom representations in graph neural networks for molecular properties.
The paper corrects a proof and extends a theorem about linking pairings in 4-manifolds.
New method detects and compares folding pathways of knotted proteins.
We introduce tools to capture the dynamics of three different pathways, in which the synchronization of human decision-making could lead to turbulent periods and contagion phenomena in financial markets. The first pathway is caused when stock market indices, seen as a set of coupled integrate-and-fire oscillators, sync…
Deep reinforcement learning method finds rare events in complex systems.
New method makes neural networks transparent, revealing learning modes.
This work uses Sylvester normalizing flows for more accurate metabolite quantification in MRS.
Simulates patient pathways to detect delayed rare disease diagnoses.
In this work, we developed a network inference method from incomplete data ("PathInf") , as massive and non-uniformly distributed missing values is a common challenge in practical problems. PathInf is a two-stages inference model. In the first stage, it applies a data summarization model based on maximum likelihood to …
Deep learning models accurately recognize and estimate physical activity types and energy expenditure from wrist accelerometer data.
New method analyzes complex multivariate pathways in high-dimensional data.
Bayesian method detects mesoscale structures in pathway data networks.
ESN model helps understand climate event impacts.
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.
The paper proposes a method to predict the performance of data-driven algorithms using surrogate models.
Paper proposes methods to handle missing data in online RL, improving efficiency and uncertainty capture.
RPPs improve deep learning models with soft equivariance constraints.
Computer-assisted synthesis planning aims to help chemists find better reaction pathways faster. Finding viable and short pathways from sugar molecules to value-added chemicals can be modeled as a retrosynthesis planning problem with a catalyst allowed. This is a crucial step in efficient biomass conversion. The tradit…
A key goal of computational personalized medicine is to systematically utilize genomic and other molecular features of samples to predict drug responses for a previously unseen sample. Such predictions are valuable for developing hypotheses for selecting therapies tailored for individual patients. This is especially va…
We consider the problem of learning fair decision systems in complex scenarios in which a sensitive attribute might affect the decision along both fair and unfair pathways. We introduce a causal approach to disregard effects along unfair pathways that simplifies and generalizes previous literature. Our method corrects …
Study optimizes climate adaptation strategies for NYC.