No Arabic abstract
With the advent of kernel methods, automating the task of specifying a suitable kernel has become increasingly important. In this context, the Multiple Kernel Learning (MKL) problem of finding a combination of pre-specified base kernels that is suitable for the task at hand has received significant attention from researchers. In this paper we show that Multiple Kernel Learning can be framed as a standard binary classification problem with additional constraints that ensure the positive definiteness of the learned kernel. Framing MKL in this way has the distinct advantage that it makes it easy to leverage the extensive research in binary classification to develop better performing and more scalable MKL algorithms that are conceptually simpler, and, arguably, more accessible to practitioners. Experiments on nine data sets from different domains show that, despite its simplicity, the proposed technique compares favorably with current leading MKL approaches.
Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as node classification, graph classification, and link prediction. In this work, our task of interest is graph classification. Several GNN models have been proposed and shown great accuracy in this task. However, the question is whether usual training methods fully realize the capacity of the GNN models. In this work, we propose a two-stage training framework based on triplet loss. In the first stage, GNN is trained to map each graph to a Euclidean-space vector so that graphs of the same class are close while those of different classes are mapped far apart. Once graphs are well-separated based on labels, a classifier is trained to distinguish between different classes. This method is generic in the sense that it is compatible with any GNN model. By adapting five GNN models to our method, we demonstrate the consistent improvement in accuracy and utilization of each GNNs allocated capacity over the original training method of each model up to 5.4% points in 12 datasets.
In many applications, there is a need to predict the effect of an intervention on different individuals from data. For example, which customers are persuadable by a product promotion? which patients should be treated with a certain type of treatment? These are typical causal questions involving the effect or the change in outcomes made by an intervention. The questions cannot be answered with traditional classification methods as they only use associations to predict outcomes. For personalised marketing, these questions are often answered with uplift modelling. The objective of uplift modelling is to estimate causal effect, but its literature does not discuss when the uplift represents causal effect. Causal heterogeneity modelling can solve the problem, but its assumption of unconfoundedness is untestable in data. So practitioners need guidelines in their applications when using the methods. In this paper, we use causal classification for a set of personalised decision making problems, and differentiate it from classification. We discuss the conditions when causal classification can be resolved by uplift (and causal heterogeneity) modelling methods. We also propose a general framework for causal classification, by using off-the-shelf supervised methods for flexible implementations. Experiments have shown two instantiations of the framework work for causal classification and for uplift (causal heterogeneity) modelling, and are competitive with the other uplift (causal heterogeneity) modelling methods.
In this paper, we develop a quadrature framework for large-scale kernel machines via a numerical integration representation. Considering that the integration domain and measure of typical kernels, e.g., Gaussian kernels, arc-cosine kernels, are fully symmetric, we leverage deterministic fully symmetric interpolatory rules to efficiently compute quadrature nodes and associated weights for kernel approximation. The developed interpolatory rules are able to reduce the number of needed nodes while retaining a high approximation accuracy. Further, we randomize the above deterministic rules by the classical Monte-Carlo sampling and control variates techniques with two merits: 1) The proposed stochastic rules make the dimension of the feature mapping flexibly varying, such that we can control the discrepancy between the original and approximate kernels by tuning the dimnension. 2) Our stochastic rules have nice statistical properties of unbiasedness and variance reduction with fast convergence rate. In addition, we elucidate the relationship between our deterministic/stochastic interpolatory rules and current quadrature rules for kernel approximation, including the sparse grids quadrature and stochastic spherical-radial rules, thereby unifying these methods under our framework. Experimental results on several benchmark datasets show that our methods compare favorably with other representative kernel approximation based methods.
We propose a deep learning approach for discovering kernels tailored to identifying clusters over sample data. Our neural network produces sample embeddings that are motivated by--and are at least as expressive as--spectral clustering. Our training objective, based on the Hilbert Schmidt Information Criterion, can be optimized via gradient adaptations on the Stiefel manifold, leading to significant acceleration over spectral methods relying on eigendecompositions. Finally, our trained embedding can be directly applied to out-of-sample data. We show experimentally that our approach outperforms several state-of-the-art deep clustering methods, as well as traditional approaches such as $k$-means and spectral clustering over a broad array of real-life and synthetic datasets.
We propose a localized approach to multiple kernel learning that can be formulated as a convex optimization problem over a given cluster structure. For which we obtain generalization error guarantees and derive an optimization algorithm based on the Fenchel dual representation. Experiments on real-world datasets from the application domains of computational biology and computer vision show that convex localized multiple kernel learning can achieve higher prediction accuracies than its global and non-convex local counterparts.