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Computational Biology

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Ensemble learning and ground-truth validation of synaptic connectivity inferred from spike trains.

PLoS computational biology
Probing the architecture of neuronal circuits and the principles that underlie their functional organization remains an important challenge of modern neurosciences. This holds true, in particular, for the inference of neuronal connectivity from large...

UNNT: A novel Utility for comparing Neural Net and Tree-based models.

PLoS computational biology
The use of deep learning (DL) is steadily gaining traction in scientific challenges such as cancer research. Advances in enhanced data generation, machine learning algorithms, and compute infrastructure have led to an acceleration in the use of deep ...

Recurrent neural networks that learn multi-step visual routines with reinforcement learning.

PLoS computational biology
Many cognitive problems can be decomposed into series of subproblems that are solved sequentially by the brain. When subproblems are solved, relevant intermediate results need to be stored by neurons and propagated to the next subproblem, until the o...

DeepSub: Utilizing Deep Learning for Predicting the Number of Subunits in Homo-Oligomeric Protein Complexes.

International journal of molecular sciences
The molecular weight (MW) of an enzyme is a critical parameter in enzyme-constrained models (ecModels). It is determined by two factors: the presence of subunits and the abundance of each subunit. Although the number of subunits (NS) can potentially ...

KbhbXG: A Machine learning architecture based on XGBoost for prediction of lysine β-Hydroxybutyrylation (Kbhb) modification sites.

Methods (San Diego, Calif.)
Lysine β-hydroxybutyrylation is an important post-translational modification (PTM) involved in various physiological and biological processes. In this research, we introduce a novel predictor KbhbXG, which utilizes XGBoost to identify β-hydroxybutyry...

Learning spatio-temporal patterns with Neural Cellular Automata.

PLoS computational biology
Neural Cellular Automata (NCA) are a powerful combination of machine learning and mechanistic modelling. We train NCA to learn complex dynamics from time series of images and Partial Differential Equation (PDE) trajectories. Our method is designed to...

Emergent neural dynamics and geometry for generalization in a transitive inference task.

PLoS computational biology
Relational cognition-the ability to infer relationships that generalize to novel combinations of objects-is fundamental to human and animal intelligence. Despite this importance, it remains unclear how relational cognition is implemented in the brain...

Exploiting protein language models for the precise classification of ion channels and ion transporters.

Proteins
This study introduces TooT-PLM-ionCT, a comprehensive framework that consolidates three distinct systems, each meticulously tailored for one of the following tasks: distinguishing ion channels (ICs) from membrane proteins (MPs), segregating ion trans...

Computational scoring and experimental evaluation of enzymes generated by neural networks.

Nature biotechnology
In recent years, generative protein sequence models have been developed to sample novel sequences. However, predicting whether generated proteins will fold and function remains challenging. We evaluate a set of 20 diverse computational metrics to ass...