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Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Biological and artificial information processing systems form representations of the world that they can use to categorize, reason, plan, navigate, and make decisions. How can we measure the similarity between the representations formed by…

1) Micro-evolutionary predictions are complicated by ecological feedbacks like density dependence, while ecological predictions can be complicated by evolutionary change. A widely used approach in micro-evolution, quantitative genetics,…

Populations and Evolution · Quantitative Biology 2015-09-07 Tim Coulson , Floriane Plard , Susanne Schindler , Arpat Ozgul , Jean-Michel Gaillard

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of…

Machine Learning · Computer Science 2023-10-17 Yizhen Luo , Xing Yi Liu , Kai Yang , Kui Huang , Massimo Hong , Jiahuan Zhang , Yushuai Wu , Zaiqing Nie

We discuss algorithms for combining sequential prediction strategies, a task which can be viewed as a natural generalisation of the concept of universal coding. We describe a graphical language based on Hidden Markov Models for defining…

Information Theory · Computer Science 2013-11-27 Wouter M. Koolen , Steven de Rooij

Uncertainty quantification has been a core of the statistical machine learning, but its computational bottleneck has been a serious challenge for both Bayesians and frequentists. We propose a model-based framework in quantifying…

Machine Learning · Computer Science 2019-06-04 Minsuk Shin , Young Lee , Jun S. Liu

Generative models defining joint distributions over parse trees and sentences are useful for parsing and language modeling, but impose restrictions on the scope of features and are often outperformed by discriminative models. We propose a…

Computation and Language · Computer Science 2017-08-18 Jianpeng Cheng , Adam Lopez , Mirella Lapata

Cellular differentiation is governed by gene regulatory networks, the high-dimensional stochastic biochemical systems that determine the transcriptional landscape and mediate cellular responses to signals and perturbations. Although…

Molecular Networks · Quantitative Biology 2026-04-29 Suryanarayana Maddu , Victor Chardès , Michael J. Shelley

Automated medical coding, an essential task for healthcare operation and delivery, makes unstructured data manageable by predicting medical codes from clinical documents. Recent advances in deep learning and natural language processing have…

Computation and Language · Computer Science 2024-05-15 Shaoxiong Ji , Wei Sun , Xiaobo Li , Hang Dong , Ara Taalas , Yijia Zhang , Honghan Wu , Esa Pitkänen , Pekka Marttinen

Survival models are used in various fields, such as the development of cancer treatment protocols. Although many statistical and machine learning models have been proposed to achieve accurate survival predictions, little attention has been…

Machine Learning · Computer Science 2020-03-26 Hrushikesh Loya , Pranav Poduval , Deepak Anand , Neeraj Kumar , Amit Sethi

Generative artificial intelligence models learn probability distributions from data and produce novel samples that capture the salient properties of their training sets. Proteins are particularly attractive for such approaches given their…

Biomolecules · Quantitative Biology 2026-02-27 Filippo Stocco , Michele Garibbo , Noelia Ferruz

Our research aims to propose a new performance-explainability analytical framework to assess and benchmark machine learning methods. The framework details a set of characteristics that systematize the performance-explainability assessment…

Machine Learning · Computer Science 2021-11-22 Kevin Fauvel , Véronique Masson , Élisa Fromont

Multimodal representation learning has demonstrated remarkable potential in enabling models to process and integrate diverse data modalities, such as text and images, for improved understanding and performance. While the medical domain can…

Computer Vision and Pattern Recognition · Computer Science 2025-03-04 Shuvendu Roy , Franklin Ogidi , Ali Etemad , Elham Dolatabadi , Arash Afkanpour

Probabilistic inference provides a language for describing how organisms may learn from and adapt to their environment. The computations needed to implement probabilistic inference often require specific representations, akin to having the…

Molecular Networks · Quantitative Biology 2018-06-28 Yarden Katz , Michael Springer , Walter Fontana

This paper addresses the challenge of jointly modeling user intent diversity and behavioral uncertainty in recommender systems. A unified representation learning framework is proposed. The framework builds a multi-intent representation…

Information Retrieval · Computer Science 2025-09-08 Wei Xu , Jiasen Zheng , Junjiang Lin , Mingxuan Han , Junliang Du

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

DNA-based biodiversity surveys involve collecting physical samples from survey sites and assaying the contents in the laboratory to detect species via their diagnostic DNA sequences. DNA-based surveys are increasingly being adopted for…

Models for categorical sequences typically assume exchangeable or first-order dependent sequence elements. These are common assumptions, for example, in models of computer malware traces and protein sequences. Although such simplifying…

Computation · Statistics 2026-03-17 Daniyar Ghani , Nicholas A. Heard , Francesco Sanna Passino

The design of biological systems is hindered by uncertainty arising from both intrinsic stochasticity of biomolecular reactions and variability across laboratory or experimental conditions. In this work, we present a sequential framework to…

Machine Learning · Computer Science 2026-05-08 Michal Kobiela , Diego A. Oyarzún , Michael U. Gutmann

A Profile Mixture Model is a model of protein evolution, describing sequence data in which sites are assumed to follow many related substitution processes on a single evolutionary tree. The processes depend in part on different amino acid…

Populations and Evolution · Quantitative Biology 2020-07-07 Samaneh Yourdkhani , Elizabeth S. Allman , John A. Rhodes