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.
A new diffusion model generates novel protein backbones without relying on pretrained networks.
Researchers use shape analysis to recover protein structures from Cryo-EM data.
Generative model designs highly designable proteins using geometric algebra.
Few-step protein backbone generators reduce sampling time by over 20x.
Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design. This motivates predicting the structure of a protein from its sequence of amino…
New method learns diverse protein scaffolds for motif design.
The backbone of most proteins forms an open curve. To study their entanglement, a common strategy consists in searching for the presence of knots in their backbones using topological invariants. However, this approach requires to close the curve into a loop, which alters the geometry of curve. Knoto-ID allows evaluatin…
Mathematician summarizes protein geometry and mutation effects.
DiAMoNDBack models protein backmapping from coarse-grained Cα traces.
Improved scaffold generation for protein motifs using SE(3) flow matching.
Motivation: Proteins are known to undergo conformational changes in the course of their functions. The changes in conformation are often attributable to a small fraction of residues within the protein. Therefore identification of these variable regions is important for an understanding of protein function. Results: We …
Long, flexible physical filaments are naturally tangled and knotted, from macroscopic string down to long-chain molecules. The existence of knotting in a filament naturally affects its configuration and properties, and may be very stable or disappear rapidly under manipulation and interaction. Knotting has been previou…
New tools evaluate and optimize conditional sequence models in bioinformatics.
AbDiffuser generates full-atom antibodies with sequence and structure fidelity.
We equip a knot with a set of colored bonds, that is, colored intervals properly embedded into . Such a construction can be viewed as a structure that topologically models a closed protein chain including any type of bridges connecting the backbone residues. We introduce an invariant of su…
Branching Flows generates sequences of varying lengths using binary trees.
We detect the backbone of the weighted bipartite network of the Japanese credit market relationships. The backbone is detected by adapting a general method used in the investigation of weighted networks. With this approach we detect a backbone that is statistically validated against a null hypothesis of uniform diversi…
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.
Automates neural network design for diverse tasks.
Deep learning models optimize protein sequences.
Mathematical pipeline identifies structural homology of knotted proteins.
A new method scales sparse machine learning to ultra-high dimensional problems.
Deep forecasting models show output heads significantly improve performance on fat-tailed financial returns.
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…
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…
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…
Flexible Kernels for Protein Property Prediction
New method steers protein design towards desired properties.
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.
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 …
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…
In this paper, we investigate the statistical features of the weighted international-trade network. By finding the maximum weight spanning trees for this network we make the extraction of the truly relevant connections forming the network's backbone. We discuss the role of large-sized countries (strongest economies) in…
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.