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When we work with information from multiple sources, the formalism each employs to handle uncertainty may not be uniform. In order to be able to combine these knowledge bases of different formats, we need to first establish a common basis…

Artificial Intelligence · Computer Science 2013-02-18 Choh Man Teng

This text presents an unified approach of probability and statistics in the pursuit of understanding and computation of randomness in engineering or physical or social system with prediction with generalizability. Starting from elementary…

History and Overview · Mathematics 2024-01-19 Lakshman Mahto

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions…

Machine Learning · Computer Science 2024-06-19 Benjamin Coleman , Wang-Cheng Kang , Matthew Fahrbach , Ruoxi Wang , Lichan Hong , Ed H. Chi , Derek Zhiyuan Cheng

This study proposes a unified forecasting framework for high-dimensional multi-task time series to meet the prediction demands of cloud native backend systems operating under highly dynamic loads, coupled metrics, and parallel tasks. The…

Machine Learning · Computer Science 2025-12-25 Zixiao Huang , Jixiao Yang , Sijia Li , Chi Zhang , Jinyu Chen , Chengda Xu

When making predictions about ecosystems, we often have available a number of different ecosystem models that attempt to represent their dynamics in a detailed mechanistic way. Each of these can be used as simulators of large-scale…

Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conformation, overlooking the conformational…

Biomolecules · Quantitative Biology 2025-06-18 Advaith Maddipatla , Nadav Bojan Sellam , Meital Bojan , Sanketh Vedula , Paul Schanda , Ailie Marx , Alex M. Bronstein

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

It is becoming clear that traditional, single-structure models of proteins are insufficient for understanding their biological function. Here, we outline one method for inferring, from experiments, not only the most common structure a…

Biological Physics · Physics 2014-08-04 Thomas J. Lane , Christian R. Schwantes , Kyle A. Beauchamp , Vijay S. Pande

The use of patterns in predictive models is a topic that has received a lot of attention in recent years. Pattern mining can help to obtain models for structured domains, such as graphs and sequences, and has been proposed as a means to…

Artificial Intelligence · Computer Science 2011-11-29 Björn Bringmann , Siegfried Nijssen , Albrecht Zimmermann

Model merging has achieved significant success, with numerous innovative methods proposed to enhance capabilities by combining multiple models. However, challenges persist due to the lack of a unified framework for classification and…

Machine Learning · Computer Science 2025-03-13 Wei Ruan , Tianze Yang , Yifan Zhou , Tianming Liu , Jin Lu

Intrinsically disordered proteins and regions are increasingly appreciated for their abundance in the proteome and the many functional roles they play in the cell. In this short review, we describe a variety of approaches used to obtain…

Biological Physics · Physics 2024-12-31 Zi Hao Liu , Maria Tsanai , Oufan Zhang , Teresa Head-Gordon , Julie Forman-Kay

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…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Today, image classification is a common way for systems to process visual content. Although neural network approaches to classification have seen great progress in reducing error rates, it is not clear what this means for a cognitive system…

Artificial Intelligence · Computer Science 2020-02-11 Lee Martie , Mohammad Arif Ul Alam , Gaoyuan Zhang , Ryan R. Anderson

Recent advances in Artificial Intelligence have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural,…

We develop a simple and unified framework for nonlinear variable selection that incorporates uncertainty in the prediction function and is compatible with a wide range of machine learning models (e.g., tree ensembles, kernel methods, neural…

Machine Learning · Statistics 2022-05-30 Wenying Deng , Beau Coker , Rajarshi Mukherjee , Jeremiah Zhe Liu , Brent A. Coull

Quantification is the machine learning task of estimating test-data class proportions that are not necessarily similar to those in training. Apart from its intrinsic value as an aggregate statistic, quantification output can also be used to…

Machine Learning · Computer Science 2016-06-06 Aykut Firat

The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber

In recent years, a wide range of mortality models has been proposed to address the diverse factors influencing mortality rates, which has highlighted the need to perform model selection. Traditional mortality model selection methods, such…

Methodology · Statistics 2025-10-22 Alex Diana , Jackie Wong Siaw Tze , Aniketh Pittea

Proteins and other macromolecules exist not in a single state but as dynamic ensembles of interconverting conformations, which are essential for catalysis, allosteric regulation, and molecular recognition. While AI-based structure…

Biomolecules · Quantitative Biology 2025-10-22 Stephanie A. Wankowicz , Massimiliano Bonomi

We study a physical system which, while devoid of the complexity one usually associates with proteins, nevertheless displays a remarkable array of protein-like properties. The constructive hypothesis that this striking resemblance is not…

Statistical Mechanics · Physics 2009-11-10 Jayanth R. Banavar , Trinh Xuan Hoang , Amos Maritan , Flavio Seno , Antonio Trovato