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In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

机器学习 · 计算机科学 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

In this paper, we present new optimization models for Support Vector Machine (SVM), with the aim of separating data points in two or more classes. The classification task is handled by means of nonlinear classifiers induced by kernel…

最优化与控制 · 数学 2025-07-15 Francesca Maggioni , Andrea Spinelli

Distributed optimization algorithms have been studied extensively in the literature; however, underlying most algorithms is a linear consensus scheme, i.e. averaging variables from neighbors via doubly stochastic matrices. We consider…

最优化与控制 · 数学 2023-03-14 Hsu Kao , Vijay Subramanian

Background:Prediction of protein three-dimensional structures from amino acid sequences is a long-standing goal in computational/molecular biology. The successful discrimination of protein folds would help to improve the accuracy of protein…

生物大分子 · 定量生物学 2007-05-23 Y-h. Taguchi , M. Michael Gromiha

In several observational contexts where different raters evaluate a set of items, it is common to assume that all raters draw their scores from the same underlying distribution. However, a plenty of scientific works have evidenced the…

统计方法学 · 统计学 2023-09-27 Giuseppe Mignemi , Antonio Calcagnì , Andrea Spoto , Ioanna Manolopoulou

Different types of interactions coexist and coevolve to shape the structure and function of a multiplex network. We propose here a general class of growth models in which the various layers of a multiplex network coevolve through a set of…

物理与社会 · 物理学 2014-10-15 Vincenzo Nicosia , Ginestra Bianconi , Vito Latora , Marc Barthelemy

In regression applications, the presence of nonlinearity and correlation among observations offer computational challenges not only in traditional settings such as least squares regression, but also (and especially) when the objective…

统计方法学 · 统计学 2019-06-10 Marco Geraci

We present the \textit{hierarchical Dirichlet scaling process} (HDSP), a Bayesian nonparametric mixed membership model. The HDSP generalizes the hierarchical Dirichlet process (HDP) to model the correlation structure between metadata in the…

机器学习 · 计算机科学 2017-07-10 Dongwoo Kim , Alice Oh

We present a simple, modular graph-based convolutional neural network that takes structural information from protein-ligand complexes as input to generate models for activity and binding mode prediction. Complex structures are generated by…

生物大分子 · 定量生物学 2020-02-26 Joseph A. Morrone , Jeffrey K. Weber , Tien Huynh , Heng Luo , Wendy D. Cornell

Vision-Language Models (VLMs) have demonstrated impressive performance on various visual tasks, yet they still require adaptation on downstream tasks to achieve optimal performance. Recently, various adaptation technologies have been…

计算机视觉与模式识别 · 计算机科学 2025-03-11 Chuanming Wang , Henming Mao , Huanhuan Zhang , Huiyuan Fu , Huadong Ma

We propose kernel-based approaches for the construction of a single-step and multi-step predictor of the velocity form of nonlinear (NL) systems, which describes the time-difference dynamics of the corresponding NL system and admits a…

系统与控制 · 电气工程与系统科学 2024-08-02 Chris Verhoek , Roland Tóth

Mixture models are probabilistic models aimed at uncovering and representing latent subgroups within a population. In the realm of network data analysis, the latent subgroups of nodes are typically identified by their connectivity…

统计方法学 · 统计学 2020-05-27 Giacomo De Nicola , Benjamin Sischka , Göran Kauermann

Statistical agencies and other institutions collect data under the promise to protect the confidentiality of respondents. When releasing microdata samples, the risk that records can be identified must be assessed. To this aim, a widely…

应用统计 · 统计学 2015-06-03 Cinzia Carota , Maurizio Filippone , Roberto Leombruni , Silvia Polettini

Linear mixed models (LMMs) are a popular class of methods for analyzing longitudinal and clustered data. However, such models can be sensitive to outliers, and this can lead to biased inference on model parameters and inaccurate prediction…

统计方法学 · 统计学 2025-03-28 Shonosuke Sugasawa , Francis K. C. Hui , Alan H. Welsh

Combining the outputs of multiple classifiers or experts into a single probabilistic classification is a fundamental task in machine learning with broad applications from classifier fusion to expert opinion pooling. Here we present a…

机器学习 · 计算机科学 2021-11-24 Susanne Trick , Constantin A. Rothkopf

The compound Poisson process and the Dirichlet process are the pillar structures of Renewal theory and Bayesian nonparametric theory, respectively. Both processes have many useful extensions to fulfill the practitioners needs to model the…

应用统计 · 统计学 2019-05-17 Arrigo Coen , Beatriz Godínez-Chaparro

This paper presents a machine learning approach to multidimensional item response theory (MIRT), a class of latent factor models that can be used to model and predict student performance from observed assessment data. Inspired by…

机器学习 · 统计学 2025-01-08 Yoav Bergner , Peter F. Halpin , Jill-Jênn Vie

In a regression analysis, suppose we suspect that there are several heterogeneous groups in the population that a sample represents. Mixture regression models have been applied to address such problems. By modeling the conditional…

统计方法学 · 统计学 2013-07-02 Toshiya Hoshikawa

We introduce Dirichlet pruning, a novel post-processing technique to transform a large neural network model into a compressed one. Dirichlet pruning is a form of structured pruning that assigns the Dirichlet distribution over each layer's…

机器学习 · 计算机科学 2021-03-10 Kamil Adamczewski , Mijung Park

The conventional use of the Generalized Extreme Value (GEV) distribution to model block maxima may be inappropriate when extremes are actually structured into multiple heterogeneous groups. In this work, we propose a novel approach for…