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Metrics specifying distances between data points can be learned in a discriminative manner or from generative models. In this paper, we show how to unify generative and discriminative learning of metrics via a kernel learning framework.…
Representation learning is currently a very hot topic in modern machine learning, mostly due to the great success of the deep learning methods. In particular low-dimensional representation which discriminates classes can not only enhance…
This paper introduces a novel approach to probabilistic deep learning, kernel density matrices, which provide a simpler yet effective mechanism for representing joint probability distributions of both continuous and discrete random…
Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…
Empirical observation of high dimensional phenomena, such as the double descent behaviour, has attracted a lot of interest in understanding classical techniques such as kernel methods, and their implications to explain generalization…
We consider the problem of learning low-dimensional representations for large-scale Markov chains. We formulate the task of representation learning as that of mapping the state space of the model to a low-dimensional state space, called the…
Kernel-based approaches for sequence classification have been successfully applied to a variety of domains, including the text categorization, image classification, speech analysis, biological sequence analysis, time series and music…
Advances in high-throughput technologies have originated an ever-increasing availability of omics datasets. The integration of multiple heterogeneous data sources is currently an issue for biology and bioinformatics. Multiple kernel…
One of the fundamental problems within the field of machine learning is dimensionality reduction. Dimensionality reduction methods make it possible to combat the so-called curse of dimensionality, visualize high-dimensional data and, in…
Multi-manifold modeling is increasingly used in segmentation and data representation tasks in computer vision and related fields. While the general problem, modeling data by mixtures of manifolds, is very challenging, several approaches…
Kernels are often developed and used as implicit mapping functions that show impressive predictive power due to their high-dimensional feature space representations. In this study, we gradually construct a series of simple feature maps that…
Kernel density estimation is a simple and effective method that lies at the heart of many important machine learning applications. Unfortunately, kernel methods scale poorly for large, high dimensional datasets. Approximate kernel density…
Tensor, a multi-dimensional data structure, has been exploited recently in the machine learning community. Traditional machine learning approaches are vector- or matrix-based, and cannot handle tensorial data directly. In this paper, we…
We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information…
A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…
Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific applications. In many AI for science tasks, labeled data are…
Support Vector Machines (SVMs) are among the most popular and the best performing classification algorithms. Various approaches have been proposed to reduce the high computation and memory cost when training and predicting based on…
We apply kernel mean embedding methods to sample-based stochastic optimization and control. Specifically, we use the reduced-set expansion method as a way to discard sampled scenarios. The effect of such constraint removal is improved…
While quantum machine learning (ML) has been proposed to be one of the most promising applications of quantum computing, how to build quantum ML models that outperform classical ML remains a major open question. Here, we demonstrate a…
Despite the effectiveness of Convolutional Neural Networks (CNNs) for image classification, our understanding of the relationship between shape of convolution kernels and learned representations is limited. In this work, we explore and…