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Optimizing chemical molecules for desired properties lies at the core of drug development. Despite initial successes made by deep generative models and reinforcement learning methods, these methods were mostly limited by the requirement of…

Machine Learning · Computer Science 2021-12-01 Shuangjia Zheng , Ying Song , Zhang Pan , Chengtao Li , Le Song , Yuedong Yang

Generative Adversarial Networks (GANs) are widely used models to learn complex real-world distributions. In GANs, the training of the generator usually stops when the discriminator can no longer distinguish the generator's output from the…

Machine Learning · Computer Science 2021-02-19 Yuanzhi Li , Zehao Dou

Image-generating machine learning models are typically trained with loss functions based on distance in the image space. This often leads to over-smoothed results. We propose a class of loss functions, which we call deep perceptual…

Machine Learning · Computer Science 2016-02-10 Alexey Dosovitskiy , Thomas Brox

In this paper, we propose a multi-kernel classifier learning algorithm to optimize a given nonlinear and nonsmoonth multivariate classifier performance measure. Moreover, to solve the problem of kernel function selection and kernel…

Machine Learning · Computer Science 2015-08-26 Jingbin Wang , Haoxiang Wang , Yihua Zhou , Nancy McDonald

The performance of distance-based classifiers heavily depends on the underlying distance metric, so it is valuable to learn a suitable metric from the data. To address the problem of multimodality, it is desirable to learn local metrics. In…

Machine Learning · Computer Science 2018-02-13 Mingzhi Dong , Yujiang Wang , Xiaochen Yang , Jing-Hao Xue

Gaussian Processes (GPs) are known to provide accurate predictions and uncertainty estimates even with small amounts of labeled data by capturing similarity between data points through their kernel function. However traditional GP kernels…

Machine Learning · Computer Science 2021-11-16 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

In many applications involving multi-media data, the definition of similarity between items is integral to several key tasks, e.g., nearest-neighbor retrieval, classification, and recommendation. Data in such regimes typically exhibits…

Artificial Intelligence · Computer Science 2010-09-01 Brian McFee , Gert Lanckriet

This paper addresses distributed learning of a complex object for multiple networked robots based on distributed optimization and kernel-based support vector machine. In order to overcome a fundamental limitation of polynomial kernels…

Robotics · Computer Science 2024-12-17 Toshiyuki Oshima , Junya Yamauchi , Tatsuya Ibuki , Michio Seto , Takeshi Hatanaka

Support Vector Machines (SVMs) are powerful learners that have led to state-of-the-art results in various computer vision problems. SVMs suffer from various drawbacks in terms of selecting the right kernel, which depends on the image…

Computer Vision and Pattern Recognition · Computer Science 2014-03-31 Gemma Roig , Xavier Boix , Luc Van Gool

Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds considerable promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks -- with…

Machine Learning · Computer Science 2025-06-27 Andrea Perin , Stephane Deny

Discovering relational structure between input features in sequence labeling models has shown to improve their accuracy in several problem settings. However, the search space of relational features is exponential in the number of basic…

Machine Learning · Computer Science 2017-05-09 Naveen Nair , Ajay Nagesh , Ganesh Ramakrishnan

Humans can learn concepts or recognize items from just a handful of examples, while machines require many more samples to perform the same task. In this paper, we build a computational model to investigate the possibility of this kind of…

Artificial Intelligence · Computer Science 2016-11-09 Wen-Chieh Fang , Yi-ting Chiang

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

In Computer Vision, problem of identifying or classifying the objects present in an image is called Object Categorization. It is a challenging problem, especially when the images have clutter background, occlusions or different lighting…

Computer Vision and Pattern Recognition · Computer Science 2016-04-26 Jyothi Korra

In this article, we introduce a kernel-based consensual aggregation method for regression problems. We aim to flexibly combine individual regression estimators $r_1, r_2, \ldots, r_M$ using a weighted average where the weights are defined…

Methodology · Statistics 2021-04-29 Sothea Has

In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that…

Machine Learning · Computer Science 2019-03-27 Tran-Thai Dang , Tien-Lam Pham , Hiori Kino , Takashi Miyake , Hieu-Chi Dam

Density estimation in high-dimensional settings is an important and challenging statistical problem.Traditional methods based on kernel smoothing are inefficient in high dimensions due to the difficulties in specifying appropriate…

Machine Learning · Statistics 2026-05-14 Ruitong Zhang , Ke Deng

In this paper we propose a new non-linear classifier based on a combination of locally linear classifiers. A well known optimization formulation is given as we cast the problem in a $\ell_1$ Multiple Kernel Learning (MKL) problem using many…

Machine Learning · Computer Science 2024-01-19 David Picard

Representing, comparing, and measuring the distance between probability distributions is a key task in computational statistics and machine learning. The choice of representation and the associated distance determine properties of the…

Machine Learning · Statistics 2026-02-26 Masha Naslidnyk

Distance metric learning (DML) approaches learn a transformation to a representation space where distance is in correspondence with a predefined notion of similarity. While such models offer a number of compelling benefits, it has been…

Machine Learning · Statistics 2016-03-03 Oren Rippel , Manohar Paluri , Piotr Dollar , Lubomir Bourdev