相关论文: Quantifying homologous proteins and proteoforms

Identifying metabolic sites where cytochrome P450 enzymes metabolize small-molecule drugs is essential for drug discovery. Although existing computational approaches have been proposed for site-of-metabolism prediction, they typically…

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

The identifiability of a system is concerned with whether the unknown parameters in the system can be uniquely determined with all the possible data generated by a certain experimental setting. A test of quantum Hamiltonian identifiability…

The learning of the physical world relies on sensing and data post-processing. When the signals are weak, multidimensional and correlated, the performance of learning is often bottlenecked by the quality of sensors, calling for integrating…

Tiny machine learning (tinyML) has emerged during the past few years aiming to deploy machine learning models to embedded AI processors with highly constrained memory and computation capacity. Low precision quantization is an important…

This work presents a machine learning approach based on support vector machines (SVMs) for quantum entanglement detection. Particularly, we focus in bipartite systems of dimensions 3x3, 4x4, and 5x5, where the positive partial transpose…

Reliable identification of molecular biomarkers is essential for accurate patient stratification. While state-of-the-art machine learning approaches for sample classification continue to push boundaries in terms of performance, most of…

Post-translational modifications (PTMs) form a combinatorial "code" that regulates protein function, yet deciphering this code - linking modified sites to their catalytic enzymes - remains a central unsolved problem in understanding…

Two-dimensional partial covariance mass spectrometry (2D-PC-MS) exploits the inherent fluctuations of fragment ion abundances across a series of tandem mass spectra, to identify correlated pairs of fragment ions produced along the same…

Understanding sub-cellular protein localisation is an essential component to analyse context specific protein function. Recent advances in quantitative mass-spectrometry (MS) have led to high resolution mapping of thousands of proteins to…

Proteomics is the large scale study of protein structure and function from biological systems through protein identification and quantification. "Shotgun proteomics" or "bottom-up proteomics" is the prevailing strategy, in which proteins…

Motivation: Despite being often perceived as the main contributors to cell fate and physiology, genes alone cannot predict cellular phenotype. During the process of gene expression, 95% of human genes can code for multiple proteins due to…

This work presents a novel self-supervised pre-training method to learn efficient representations without labels on histopathology medical images utilizing magnification factors. Other state-of-theart works mainly focus on fully supervised…

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure…

In the era of large language models (LLMs), weight-activation quantization helps fit models on edge device by reducing memory and compute bit-widths. However, three challenges persist for energy constrained hardware: (1) even after…

Quantization is an effective way to reduce the memory cost of large-scale model training. However, most existing methods adopt fixed-precision policies, which ignore the fact that optimizer-state distributions vary significantly across…

Many datasets can be viewed as a noisy sampling of an underlying space, and tools from topological data analysis can characterize this structure for the purpose of knowledge discovery. One such tool is persistent homology, which provides a…

Recent work in network quantization produced state-of-the-art results using mixed precision quantization. An imperative requirement for many efficient edge device hardware implementations is that their quantizers are uniform and with…

Cellular heterogeneity is important to biological processes, including cancer and development. However, proteome heterogeneity is largely unexplored because of the limitations of existing methods for quantifying protein levels in single…

While monomer protein structure prediction tools boast impressive accuracy, the prediction of protein complex structures remains a daunting challenge in the field. This challenge is particularly pronounced in scenarios involving complexes…