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We explore the sensitivity of several core-level spectroscopic methods to the underlying atomistic structure by using the water molecule as our test system. We first define a metric that measures the magnitude of spectral change as a…

化学物理 · 物理学 2022-06-22 Johannes Niskanen , Anton Vladyka , Joonas Niemi , Christoph J. Sahle

We propose a new approach for metric learning by framing it as learning a sparse combination of locally discriminative metrics that are inexpensive to generate from the training data. This flexible framework allows us to naturally derive…

机器学习 · 计算机科学 2019-01-25 Yuan Shi , Aurélien Bellet , Fei Sha

Deep learning has been widely used for hyperspectral pixel classification due to its ability of generating deep feature representation. However, how to construct an efficient and powerful network suitable for hyperspectral data is still…

计算机视觉与模式识别 · 计算机科学 2019-04-17 Jingzhou Chen , Siyu Chen , Peilin Zhou , Yuntao Qian

In machine learning, metric elicitation refers to the selection of performance metrics that best reflect an individual's implicit preferences for a given application. Currently, metric elicitation methods only consider metrics that depend…

机器学习 · 计算机科学 2025-01-03 Chethan Bhateja , Joseph O'Brien , Afnaan Hashmi , Eva Prakash

In this paper, we consider unsupervised partitioning problems, such as clustering, image segmentation, video segmentation and other change-point detection problems. We focus on partitioning problems based explicitly or implicitly on the…

机器学习 · 计算机科学 2013-03-07 Rémi Lajugie , Sylvain Arlot , Francis Bach

We give a simple, fast algorithm for hyperparameter optimization inspired by techniques from the analysis of Boolean functions. We focus on the high-dimensional regime where the canonical example is training a neural network with a large…

机器学习 · 计算机科学 2018-01-23 Elad Hazan , Adam Klivans , Yang Yuan

We study the natural gradient method for learning in deep Bayesian networks, including neural networks. There are two natural geometries associated with such learning systems consisting of visible and hidden units. One geometry is related…

机器学习 · 计算机科学 2020-05-22 Nihat Ay

In machine learning, accurately predicting the probability that a specific input is correct is crucial for risk management. This process, known as uncertainty (or confidence) estimation, is particularly important in mission-critical…

机器学习 · 计算机科学 2023-01-12 Gabriella Chouraqui , Liron Cohen , Gil Einziger , Liel Leman

Distance metric learning (DML) has been successfully applied to object classification, both in the standard regime of rich training data and in the few-shot scenario, where each category is represented by only a few examples. In this work,…

计算机视觉与模式识别 · 计算机科学 2018-11-20 Leonid Karlinsky , Joseph Shtok , Sivan Harary , Eli Schwartz , Amit Aides , Rogerio Feris , Raja Giryes , Alex M. Bronstein

Deep-learning metrics have recently demonstrated extremely good performance to match image patches for stereo reconstruction. However, training such metrics requires large amount of labeled stereo images, which can be difficult or costly to…

计算机视觉与模式识别 · 计算机科学 2016-12-06 Stepan Tulyakov , Anton Ivanov , Francois Fleuret

By selecting different filter functions, spectral algorithms can generate various regularization methods to solve statistical inverse problems within the learning-from-samples framework. This paper combines distributed spectral algorithms…

机器学习 · 统计学 2025-02-18 Jiading Liu , Lei Shi

Despite successful use in a wide variety of disciplines for data analysis and prediction, machine learning (ML) methods suffer from a lack of understanding of the reliability of predictions due to the lack of transparency and black-box…

材料科学 · 物理学 2023-04-04 Evan Askanazi , Ilya Grinberg

Techniques from deep learning play a more and more important role for the important task of calibration of financial models. The pioneering paper by Hernandez [Risk, 2017] was a catalyst for resurfacing interest in research in this area. In…

数理金融 · 定量金融 2019-08-26 Christian Bayer , Blanka Horvath , Aitor Muguruza , Benjamin Stemper , Mehdi Tomas

Density-based distances (DBDs) provide a principled approach to metric learning by defining distances in terms of the underlying data distribution. By employing a Riemannian metric that increases in regions of low probability density,…

机器学习 · 计算机科学 2025-06-02 Peter Sorrenson , Daniel Behrend-Uriarte , Christoph Schnörr , Ullrich Köthe

Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model…

化学物理 · 物理学 2019-01-17 Mirta Rodríguez , Tobias Kramer

Distance metric learning (DML) has been studied extensively in the past decades for its superior performance with distance-based algorithms. Most of the existing methods propose to learn a distance metric with pairwise or triplet…

机器学习 · 计算机科学 2019-05-23 Qi Qian , Jiasheng Tang , Hao Li , Shenghuo Zhu , Rong Jin

This paper discusses the critical decision process of extracting or selecting the features in a supervised learning context. It is often confusing to find a suitable method to reduce dimensionality. There are pros and cons to deciding…

机器学习 · 计算机科学 2022-06-22 Jean-Sébastien Dessureault , Daniel Massicotte

Deep metric learning aims to learn a function mapping image pixels to embedding feature vectors that model the similarity between images. Two major applications of metric learning are content-based image retrieval and face verification. For…

计算机视觉与模式识别 · 计算机科学 2019-08-06 Andrew Zhai , Hao-Yu Wu

Deep learning has proved particularly useful for semantic segmentation, a fundamental image analysis task. However, the standard deep learning methods need many training images with ground-truth pixel-wise annotations, which are usually…

计算机视觉与模式识别 · 计算机科学 2022-11-01 Denis Baručić , Jan Kybic

Purpose: Different Magnetic resonance imaging (MRI) modalities of the same anatomical structure are required to present different pathological information from the physical level for diagnostic needs. However, it is often difficult to…

图像与视频处理 · 电气工程与系统科学 2021-09-15 Yuchen Fei , Bo Zhan , Mei Hong , Xi Wu , Jiliu Zhou , Yan Wang