A Survey on Graph Kernels

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification

Multi-Target Prediction: A Unifying View on Problems and Methods

Multi-target prediction (MTP) is concerned with the simultaneous prediction of multiple target variables of diverse type. Due to its enormous application potential, it has developed into an active and rapidly expanding research field that combines several subfields of machine learning, including multivariate regression, multi-label classification, multi-task learning, dyadic prediction, zero-shot learning, network inference, and matrix completion. In this paper, we present a unifying view on MTP problems and methods. First, we formally discuss commonalities and differences between existing MTP problems. To this end, we introduce a general framework that covers the above subfields as special cases. As a second contribution, we provide a structured overview of MTP methods. This is accomplished by identifying a number of key properties, which distinguish such methods and determine their suitability for different types of problems. Finally, we also discuss a few challenges for future research

TorchSparse++: Efficient Training and Inference Framework for Sparse Convolution on GPUs

Sparse convolution plays a pivotal role in emerging workloads, including point cloud processing in AR/VR, autonomous driving, and graph understanding in recommendation systems. Since the computation pattern is sparse and irregular, specialized high-performance kernels are required. Existing GPU libraries offer two dataflow types for sparse convolution. The gather-GEMM-scatter dataflow is easy to implement but not optimal in performance, while the dataflows with overlapped computation and memory access (e.g.implicit GEMM) are highly performant but have very high engineering costs. In this paper, we introduce TorchSparse++, a new GPU library that achieves the best of both worlds. We create a highly efficient Sparse Kernel Generator that generates performant sparse convolution kernels at less than one-tenth of the engineering cost of the current state-of-the-art system. On top of this, we design the Sparse Autotuner, which extends the design space of existing sparse convolution libraries and searches for the best dataflow configurations for training and inference workloads. Consequently, TorchSparse++ achieves 2.9x, 3.3x, 2.2x and 1.7x measured end-to-end speedup on an NVIDIA A100 GPU over state-of-the-art MinkowskiEngine, SpConv 1.2, TorchSparse and SpConv v2 in inference; and is 1.2-1.3x faster than SpConv v2 in mixed precision training across seven representative autonomous driving benchmarks. It also seamlessly supports graph convolutions, achieving 2.6-7.6x faster inference speed compared with state-of-the-art graph deep learning libraries.Comment: MICRO 2023; Haotian Tang and Shang Yang contributed equally to this projec

A Comparative Study of Pairwise Learning Methods based on Kernel Ridge Regression

Many machine learning problems can be formulated as predicting labels for a pair of objects. Problems of that kind are often referred to as pairwise learning, dyadic prediction or network inference problems. During the last decade kernel methods have played a dominant role in pairwise learning. They still obtain a state-of-the-art predictive performance, but a theoretical analysis of their behavior has been underexplored in the machine learning literature. In this work we review and unify existing kernel-based algorithms that are commonly used in different pairwise learning settings, ranging from matrix filtering to zero-shot learning. To this end, we focus on closed-form efficient instantiations of Kronecker kernel ridge regression. We show that independent task kernel ridge regression, two-step kernel ridge regression and a linear matrix filter arise naturally as a special case of Kronecker kernel ridge regression, implying that all these methods implicitly minimize a squared loss. In addition, we analyze universality, consistency and spectral filtering properties. Our theoretical results provide valuable insights in assessing the advantages and limitations of existing pairwise learning methods.Comment: arXiv admin note: text overlap with arXiv:1606.0427

A Multi-view Context-aware Approach to Android Malware Detection and Malicious Code Localization

Existing Android malware detection approaches use a variety of features such as security sensitive APIs, system calls, control-flow structures and information flows in conjunction with Machine Learning classifiers to achieve accurate detection. Each of these feature sets provides a unique semantic perspective (or view) of apps' behaviours with inherent strengths and limitations. Meaning, some views are more amenable to detect certain attacks but may not be suitable to characterise several other attacks. Most of the existing malware detection approaches use only one (or a selected few) of the aforementioned feature sets which prevent them from detecting a vast majority of attacks. Addressing this limitation, we propose MKLDroid, a unified framework that systematically integrates multiple views of apps for performing comprehensive malware detection and malicious code localisation. The rationale is that, while a malware app can disguise itself in some views, disguising in every view while maintaining malicious intent will be much harder. MKLDroid uses a graph kernel to capture structural and contextual information from apps' dependency graphs and identify malice code patterns in each view. Subsequently, it employs Multiple Kernel Learning (MKL) to find a weighted combination of the views which yields the best detection accuracy. Besides multi-view learning, MKLDroid's unique and salient trait is its ability to locate fine-grained malice code portions in dependency graphs (e.g., methods/classes). Through our large-scale experiments on several datasets (incl. wild apps), we demonstrate that MKLDroid outperforms three state-of-the-art techniques consistently, in terms of accuracy while maintaining comparable efficiency. In our malicious code localisation experiments on a dataset of repackaged malware, MKLDroid was able to identify all the malice classes with 94% average recall

Efficient Regularized Least-Squares Algorithms for Conditional Ranking on Relational Data

In domains like bioinformatics, information retrieval and social network analysis, one can find learning tasks where the goal consists of inferring a ranking of objects, conditioned on a particular target object. We present a general kernel framework for learning conditional rankings from various types of relational data, where rankings can be conditioned on unseen data objects. We propose efficient algorithms for conditional ranking by optimizing squared regression and ranking loss functions. We show theoretically, that learning with the ranking loss is likely to generalize better than with the regression loss. Further, we prove that symmetry or reciprocity properties of relations can be efficiently enforced in the learned models. Experiments on synthetic and real-world data illustrate that the proposed methods deliver state-of-the-art performance in terms of predictive power and computational efficiency. Moreover, we also show empirically that incorporating symmetry or reciprocity properties can improve the generalization performance

Deep Learning based Recommender System: A Survey and New Perspectives

With the ever-growing volume of online information, recommender systems have been an effective strategy to overcome such information overload. The utility of recommender systems cannot be overstated, given its widespread adoption in many web applications, along with its potential impact to ameliorate many problems related to over-choice. In recent years, deep learning has garnered considerable interest in many research fields such as computer vision and natural language processing, owing not only to stellar performance but also the attractive property of learning feature representations from scratch. The influence of deep learning is also pervasive, recently demonstrating its effectiveness when applied to information retrieval and recommender systems research. Evidently, the field of deep learning in recommender system is flourishing. This article aims to provide a comprehensive review of recent research efforts on deep learning based recommender systems. More concretely, we provide and devise a taxonomy of deep learning based recommendation models, along with providing a comprehensive summary of the state-of-the-art. Finally, we expand on current trends and provide new perspectives pertaining to this new exciting development of the field.Comment: The paper has been accepted by ACM Computing Surveys. https://doi.acm.org/10.1145/328502