A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Mathematician summarizes protein geometry and mutation effects.
Deep generative model discovers inhibitors for unknown targets.
New lattice path method for statistical inference of persistent diagrams.
CogMol designs novel drug-like molecules for SARS-CoV-2 targets.
New estimator for overlapping community detection in graphs.
The effective representation of proteins is a crucial task that directly affects the performance of many bioinformatics problems. Related proteins usually bind to similar ligands. Chemical characteristics of ligands are known to capture the functional and mechanistic properties of proteins suggesting that a ligand base…
A new framework uses text descriptions to improve protein design.
Single-spike neurons can approximate as well as multi-spike neurons.
Deep learning models optimize protein sequences.
Mathematical pipeline identifies structural homology of knotted proteins.
Much of studies on neural computation are based on network models of static neurons that produce analog output, despite the fact that information processing in the brain is predominantly carried out by dynamic neurons that produce discrete pulses called spikes. Research in spike-based computation has been impeded by th…
ProGen models protein sequences for synthetic biology.
New 3D protein analysis methods improve accuracy.
New method detects and compares folding pathways of knotted proteins.
Proteins are commonly used by biochemical industry for numerous processes. Refining these proteins' properties via mutations causes stability effects as well. Accurate computational method to predict how mutations affect protein stability are necessary to facilitate efficient protein design. However, accuracy of predic…
PANDA predicts protein binding affinity changes from sequences, outperforming existing methods.
A new model explains protein interactions via electron delocalization.
EBM predicts protein conformations at atomic scale using crystallized data.
Experimental determination of protein function is resource-consuming. As an alternative, computational prediction of protein function has received attention. In this context, protein structural classification (PSC) can help, by allowing for determining structural classes of currently unclassified proteins based on thei…
Protein interactions constitute the fundamental building block of almost every life activity. Identifying protein communities from Protein-Protein Interaction (PPI) networks is essential to understand the principles of cellular organization and explore the causes of various diseases. It is critical to integrate multipl…
Neurons perform computations, and convey the results of those computations through the statistical structure of their output spike trains. Here we present a practical method, grounded in the information-theoretic analysis of prediction, for inferring a minimal representation of that structure and for characterizing its…
Profile graphical models represent multivariate dependence under varying risk factors.
The paper examines how spike strengths and alignments affect overfitting in linear regression models.
EGR refines and assesses protein complex structures.
We introduce a new model of proteins, which extends and enhances the traditional graphical representation by associating a combinatorial object called a fatgraph to any protein based upon its intrinsic geometry. Fatgraphs can easily be stored and manipulated as triples of permutations, and these methods are therefore a…
Two proteins are homologous if they have a common evolutionary origin, and the binary classification problem is to identify proteins in a candidate set that are homologous to a particular native protein. The feature (explanatory) variables available for classification are various measures of similarity of proteins. The…
SNNs enhance high-frequency price spike forecasting in HFT environments.
As proteins with similar structures often have similar functions, analysis of protein structures can help predict protein functions and is thus important. We consider the problem of protein structure classification, which computationally classifies the structures of proteins into pre-defined groups. We develop a weight…
SNNs can represent complex functions efficiently.
Third-generation neural networks, or Spiking Neural Networks (SNNs), aim at harnessing the energy efficiency of spike-domain processing by building on computing elements that operate on, and exchange, spikes. In this paper, the problem of training a two-layer SNN is studied for the purpose of classification, under a Ge…
Flexible Kernels for Protein Property Prediction
New method steers protein design towards desired properties.
A new diffusion model generates novel protein backbones without relying on pretrained networks.
Proteins are linear molecular chains that often fold to function. The topology of folding is widely believed to define its properties and function, and knot theory has been applied to study protein structure and its implications. More that 97% of proteins are, however, classified as unknots when intra-chain interaction…
ProtTrans models predict protein features without evolutionary info.
Affine spiking neural networks learn efficiently and generalize well.
Study improves LLMs for PPI analysis by addressing uncertainty.
Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized data sets that facilitate fair assessment of new methods and lower the barrier to …
Few-step protein backbone generators reduce sampling time by over 20x.
Automated protein function prediction is a challenging problem with distinctive features, such as the hierarchical organization of protein functions and the scarcity of annotated proteins for most biological functions. We propose a multitask learning algorithm addressing both issues. Unlike standard multitask algorithm…
Developing electrophysiological recordings of brain neuronal activity and their analysis provide a basis for exploring the structure of brain function and nervous system investigation. The recorded signals are typically a combination of spikes and noise. High amounts of background noise and possibility of electric sign…
Extracting and detecting spike activities from the fluorescence observations is an important step in understanding how neuron systems work. The main challenge lies in that the combination of the ambient noise with dynamic baseline fluctuation, often contaminates the observations, thereby deteriorating the reliability o…
New method improves neural spike train models by minimizing divergence directly, leading to better performance.
Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for understanding function. Existing approaches for detecting structural similarity between prot…
Method uses network biology to construct gene expression models for cancer.
Protein Thoughts interprets protein interactions with clear reasoning, improving prediction accuracy.
Recently exciting progress has been made on protein contact prediction, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. This paper presents a new deep learning method that predicts contacts by integrating both evolution…
Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the functions of the protein. This relationship between a sequence and its function motiv…