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Since the control of the Lipschitz constant has a great impact on the training stability, generalization, and robustness of neural networks, the estimation of this value is nowadays a real scientific challenge. In this paper we introduce a precise, fast, and differentiable upper bound for the spectral norm of convolutional layers using circulant matrix theory and a new alternative to the Power iteration. Called the Gram iteration, our approach exhibits a superlinear convergence. First, we show through a comprehensive set of experiments that our approach outperforms other state-of-the-art methods in terms of precision, computational cost, and scalability. Then, it proves highly effective for the Lipschitz regularization of convolutional neural networks, with competitive results against concurrent approaches.

In today's interconnected digital landscape, the proliferation of malware poses a significant threat to the security and stability of computer networks and systems worldwide. As the complexity of malicious tactics, techniques, and procedures (TTPs) continuously grows to evade detection, so does the need for advanced methods capable of capturing and characterizing malware behavior. The current state of the art in malware classification and detection uses task specific objectives; however, this method fails to generalize to other downstream tasks involving the same malware class. In this paper, the authors introduce a novel method that combines convolutional neural networks, standard graph embedding techniques, and a metric learning objective to extract meaningful information from network flow data and create strong embeddings characterizing malware behavior. These embeddings enable the development of highly accurate, efficient, and generalizable machine learning models for tasks such as malware strain classification, zero day threat detection, and closest attack type attribution as demonstrated in this paper. A shift from task specific objectives to strong embeddings will not only allow rapid iteration of cyber-threat detection models, but also allow different modalities to be introduced in the development of these models.

We introduce a relevant yet challenging problem named Personalized Dictionary Learning (PerDL), where the goal is to learn sparse linear representations from heterogeneous datasets that share some commonality. In PerDL, we model each dataset's shared and unique features as global and local dictionaries. Challenges for PerDL not only are inherited from classical dictionary learning (DL), but also arise due to the unknown nature of the shared and unique features. In this paper, we rigorously formulate this problem and provide conditions under which the global and local dictionaries can be provably disentangled. Under these conditions, we provide a meta-algorithm called Personalized Matching and Averaging (PerMA) that can recover both global and local dictionaries from heterogeneous datasets. PerMA is highly efficient; it converges to the ground truth at a linear rate under suitable conditions. Moreover, it automatically borrows strength from strong learners to improve the prediction of weak learners. As a general framework for extracting global and local dictionaries, we show the application of PerDL in different learning tasks, such as training with imbalanced datasets and video surveillance.

Manifolds discovered by machine learning models provide a compact representation of the underlying data. Geodesics on these manifolds define locally length-minimising curves and provide a notion of distance, which are key for reduced-order modelling, statistical inference, and interpolation. In this work, we first analyse existing methods for computing length-minimising geodesics. We find that these are not suitable for obtaining valid paths, and thus, geodesic distances. We remedy these shortcomings by leveraging numerical tools from differential geometry, which provide the means to obtain Hamiltonian-conserving geodesics. Second, we propose a model-based parameterisation for distance fields and geodesic flows on continuous manifolds. Our approach exploits a manifold-aware extension to the Eikonal equation, eliminating the need for approximations or discretisation. Finally, we develop a curvature-based training mechanism, sampling and scaling points in regions of the manifold exhibiting larger values of the Ricci scalar. This sampling and scaling approach ensures that we capture regions of the manifold subject to higher degrees of geodesic deviation. Our proposed methods provide principled means to compute valid geodesics and geodesic distances on manifolds. This work opens opportunities for latent-space interpolation, optimal control, and distance computation on differentiable manifolds.

Empowerment -- a domain independent, information-theoretic metric -- has previously been shown to assist in the evolutionary search for neural cellular automata (NCA) capable of homeostasis when employed as a fitness function. In our previous study, we successfully extended empowerment, defined as maximum time-lagged mutual information between agents' actions and future sensations, to a distributed sensorimotor system embodied as an NCA. However, the time-delay between actions and their corresponding sensations was arbitrarily chosen. Here, we expand upon previous work by exploring how the time scale at which empowerment operates impacts its efficacy as an auxiliary objective to accelerate the discovery of homeostatic NCAs. We show that shorter time delays result in marked improvements over empowerment with longer delays, when compared to evolutionary selection only for homeostasis. Moreover, we evaluate stability and adaptability of evolved NCAs, both hallmarks of living systems that are of interest to replicate in artificial ones. We find that short-term empowered NCA are more stable and are capable of generalizing better to unseen homeostatic challenges. Taken together, these findings motivate the use of empowerment during the evolution of other artifacts, and suggest how it should be incorporated to accelerate evolution of desired behaviors for them. Source code for the experiments in this paper can be found at: //github.com/caitlingrasso/empowered-nca-II.

We study the change point detection problem for high-dimensional linear regression models. The existing literature mainly focused on the change point estimation with stringent sub-Gaussian assumptions on the errors. In practice, however, there is no prior knowledge about the existence of a change point or the tail structures of errors. To address these issues, in this paper, we propose a novel tail-adaptive approach for simultaneous change point testing and estimation. The method is built on a new loss function which is a weighted combination between the composite quantile and least squared losses, allowing us to borrow information of the possible change points from both the conditional mean and quantiles. For the change point testing, based on the adjusted $L_2$-norm aggregation of a weighted score CUSUM process, we propose a family of individual testing statistics with different weights to account for the unknown tail structures. Combining the individual tests, a tail-adaptive test is further constructed that is powerful for sparse alternatives of regression coefficients' changes under various tail structures. For the change point estimation, a family of argmax-based individual estimators is proposed once a change point is detected. In theory, for both individual and tail-adaptive tests, the bootstrap procedures are proposed to approximate their limiting null distributions. Under some mild conditions, we justify the validity of the new tests in terms of size and power under the high-dimensional setup. The corresponding change point estimators are shown to be rate optimal up to a logarithm factor. Moreover, combined with the wild binary segmentation technique, a new algorithm is proposed to detect multiple change points in a tail-adaptive manner. Extensive numerical results are conducted to illustrate the appealing performance of the proposed method.

Graph Convolutional Networks (GCNs) have been widely applied in various fields due to their significant power on processing graph-structured data. Typical GCN and its variants work under a homophily assumption (i.e., nodes with same class are prone to connect to each other), while ignoring the heterophily which exists in many real-world networks (i.e., nodes with different classes tend to form edges). Existing methods deal with heterophily by mainly aggregating higher-order neighborhoods or combing the immediate representations, which leads to noise and irrelevant information in the result. But these methods did not change the propagation mechanism which works under homophily assumption (that is a fundamental part of GCNs). This makes it difficult to distinguish the representation of nodes from different classes. To address this problem, in this paper we design a novel propagation mechanism, which can automatically change the propagation and aggregation process according to homophily or heterophily between node pairs. To adaptively learn the propagation process, we introduce two measurements of homophily degree between node pairs, which is learned based on topological and attribute information, respectively. Then we incorporate the learnable homophily degree into the graph convolution framework, which is trained in an end-to-end schema, enabling it to go beyond the assumption of homophily. More importantly, we theoretically prove that our model can constrain the similarity of representations between nodes according to their homophily degree. Experiments on seven real-world datasets demonstrate that this new approach outperforms the state-of-the-art methods under heterophily or low homophily, and gains competitive performance under homophily.

Heterogeneous graph neural networks (HGNNs) as an emerging technique have shown superior capacity of dealing with heterogeneous information network (HIN). However, most HGNNs follow a semi-supervised learning manner, which notably limits their wide use in reality since labels are usually scarce in real applications. Recently, contrastive learning, a self-supervised method, becomes one of the most exciting learning paradigms and shows great potential when there are no labels. In this paper, we study the problem of self-supervised HGNNs and propose a novel co-contrastive learning mechanism for HGNNs, named HeCo. Different from traditional contrastive learning which only focuses on contrasting positive and negative samples, HeCo employs cross-viewcontrastive mechanism. Specifically, two views of a HIN (network schema and meta-path views) are proposed to learn node embeddings, so as to capture both of local and high-order structures simultaneously. Then the cross-view contrastive learning, as well as a view mask mechanism, is proposed, which is able to extract the positive and negative embeddings from two views. This enables the two views to collaboratively supervise each other and finally learn high-level node embeddings. Moreover, two extensions of HeCo are designed to generate harder negative samples with high quality, which further boosts the performance of HeCo. Extensive experiments conducted on a variety of real-world networks show the superior performance of the proposed methods over the state-of-the-arts.

For better user experience and business effectiveness, Click-Through Rate (CTR) prediction has been one of the most important tasks in E-commerce. Although extensive CTR prediction models have been proposed, learning good representation of items from multimodal features is still less investigated, considering an item in E-commerce usually contains multiple heterogeneous modalities. Previous works either concatenate the multiple modality features, that is equivalent to giving a fixed importance weight to each modality; or learn dynamic weights of different modalities for different items through technique like attention mechanism. However, a problem is that there usually exists common redundant information across multiple modalities. The dynamic weights of different modalities computed by using the redundant information may not correctly reflect the different importance of each modality. To address this, we explore the complementarity and redundancy of modalities by considering modality-specific and modality-invariant features differently. We propose a novel Multimodal Adversarial Representation Network (MARN) for the CTR prediction task. A multimodal attention network first calculates the weights of multiple modalities for each item according to its modality-specific features. Then a multimodal adversarial network learns modality-invariant representations where a double-discriminators strategy is introduced. Finally, we achieve the multimodal item representations by combining both modality-specific and modality-invariant representations. We conduct extensive experiments on both public and industrial datasets, and the proposed method consistently achieves remarkable improvements to the state-of-the-art methods. Moreover, the approach has been deployed in an operational E-commerce system and online A/B testing further demonstrates the effectiveness.

State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely neglected recently due to the availability of vast amount of data, and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors. A great challenge for using knowledge bases for recommendation is how to integrated large-scale structured and unstructured data, while taking advantage of collaborative filtering for highly accurate performance. Recent achievements on knowledge base embedding sheds light on this problem, which makes it possible to learn user and item representations while preserving the structure of their relationship with external knowledge. In this work, we propose to reason over knowledge base embeddings for personalized recommendation. Specifically, we propose a knowledge base representation learning approach to embed heterogeneous entities for recommendation. Experimental results on real-world dataset verified the superior performance of our approach compared with state-of-the-art baselines.