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Analyzing large volumes of high-dimensional data is an issue of fundamental importance in data science, molecular simulations and beyond. Several approaches work on the assumption that the important content of a dataset belongs to a…

机器学习 · 统计学 2018-03-20 Elena Facco , Maria d'Errico , Alex Rodriguez , Alessandro Laio

Implicit functions represented as deep learning approximations are powerful for reconstructing 3D surfaces. However, they can only produce static surfaces that are not controllable, which provides limited ability to modify the resulting…

计算机视觉与模式识别 · 计算机科学 2021-11-29 Bharat Lal Bhatnagar , Cristian Sminchisescu , Christian Theobalt , Gerard Pons-Moll

Complex networks provide a powerful mathematical representation of complex systems in nature and society. To understand complex networks, it is crucial to explore their internal structures, also called structural regularities. The task of…

社会与信息网络 · 计算机科学 2015-12-02 Yi Chen , Xiao-long Wang , Xin Xiang , Bu-zhou Tang , Qing-cai Chen , Bo Yuan , Jun-zhao Bu

Choosing the right representation for geometry is crucial for making 3D models compatible with existing applications. Focusing on piecewise-smooth man-made shapes, we propose a new representation that is usable in conventional CAD modeling…

图形学 · 计算机科学 2021-02-11 Dmitriy Smirnov , Mikhail Bessmeltsev , Justin Solomon

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

软凝聚态物质 · 物理学 2019-01-07 Marco Giulini , Raffaello Potestio

Although a large number of optimization algorithms have been proposed for black box optimization problems, the no free lunch theorems inform us that no algorithm can beat others on all types of problems. Different types of optimization…

神经与进化计算 · 计算机科学 2020-01-07 Yaodong He , Shiu Yin Yuen

Learning embeddings from large-scale networks is an open challenge. Despite the overwhelming number of existing methods, is is unclear how to exploit network structure in a way that generalizes easily to unseen nodes, edges or graphs. In…

机器学习 · 计算机科学 2020-09-29 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

Constructing high-quality features is critical to any quantitative data analysis. While feature engineering was historically addressed by carefully hand-crafting data representations based on domain expertise, deep neural networks (DNNs)…

机器学习 · 计算机科学 2025-02-25 Max Vargas , Reilly Cannon , Andrew Engel , Anand D. Sarwate , Tony Chiang

We develop a geometric framework to study the structure and function of complex networks. We assume that hyperbolic geometry underlies these networks, and we show that with this assumption, heterogeneous degree distributions and strong…

统计力学 · 物理学 2010-09-14 Dmitri Krioukov , Fragkiskos Papadopoulos , Maksim Kitsak , Amin Vahdat , Marian Boguna

Heterogeneous, interconnected, systems-level, molecular data have become increasingly available and key in precision medicine. We need to utilize them to better stratify patients into risk groups, discover new biomarkers and targets,…

其他定量生物学 · 定量生物学 2024-05-17 Natasa Przulj , Noel Malod-Dognin

In this paper, we present a local geometric analysis to interpret how deep feedforward neural networks extract low-dimensional features from high-dimensional data. Our study shows that, in a local geometric region, the optimal weight in one…

机器学习 · 计算机科学 2022-02-11 Md Kamran Chowdhury Shisher , Tasmeen Zaman Ornee , Yin Sun

Deep learning techniques have successfully been employed in numerous computer vision tasks including image segmentation. The techniques have also been applied to medical image segmentation, one of the most critical tasks in computer-aided…

计算机视觉与模式识别 · 计算机科学 2020-06-30 Titinunt Kitrungrotsakul , Iwamoto Yutaro , Lanfen Lin , Ruofeng Tong , Jingsong Li , Yen-Wei Chen

Understanding the deep representations of complex networks is an important step of building interpretable and trustworthy machine learning applications in the age of internet. Global surrogate models that approximate the predictions of a…

机器学习 · 计算机科学 2022-03-15 Baihan Lin

We give a formal procedure for computing preimages of convolutional network outputs using the dual basis defined from the set of hyperplanes associated with the layers of the network. We point out the special symmetry associated with…

机器学习 · 计算机科学 2019-05-23 Stefan Carlsson

Molecular interactions have widely been modelled as networks. The local wiring patterns around molecules in molecular networks are linked with their biological functions. However, networks model only pairwise interactions between molecules…

分子网络 · 定量生物学 2018-09-21 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Functional depth is the functional data analysis technique that orders a functional data set. Unlike the case of data on the real line, defining this order is non-trivial, and particularly, with functional data, there are a number of…

统计方法学 · 统计学 2022-06-29 Alicia Nieto-Reyes , John A. D. Aston

State-of-the-art fully intrinsic networks for non-rigid shape matching often struggle to disambiguate the symmetries of the shapes leading to unstable correspondence predictions. Meanwhile, recent advances in the functional map framework…

计算机视觉与模式识别 · 计算机科学 2022-04-29 Nicolas Donati , Etienne Corman , Maks Ovsjanikov

Attention is drawn to the possibility that self-organizing biological neural networks could spontaneously acquire the capability to carry out sophisticated computations. In particular it is shown that the effective action governing the…

adap-org · 物理学 2008-02-03 George Chapline

Integrating machine learning into the internals of database management systems requires significant feature engineering, a human effort-intensive process to determine the best way to represent the pieces of information that are relevant to…

数据库 · 计算机科学 2019-02-04 Ryan Marcus , Olga Papaemmanouil

Hyperbolic models are known to produce networks with properties observed empirically in most network datasets, including heavy-tailed degree distribution, high clustering, and hierarchical structures. As a result, several embeddings…

统计计算 · 统计学 2025-05-16 Simon Lizotte , Jean-Gabriel Young , Antoine Allard