In this paper we propose a general framework to integrate supervised and unsupervised examples with background knowledge expressed by a collection of first-order logic clauses into kernel machines. In particular, we consider a multi-task learning scheme where multiple predicates defined on a set of objects are to be jointly learned from examples, enforcing a set of FOL constraints on the admissible configurations of their values. The predicates are defined on the feature spaces, in which the input objects are represented, and can be either known a priori or approximated by an appropriate kernel-based learner. A general approach is presented to convert the FOL clauses into a continuous implementation that can deal with the outputs computed by the kernel-based predicates. The learning problem is formulated as a semi-supervised task that requires the optimization in the primal of a loss function that combines a fitting loss measure on the supervised examples, a regularization term, and a penalty term that enforces the constraints on both the supervised and unsupervised examples. Unfortunately, the penalty term is not convex and it can hinder the optimization process. However, it is possible to avoid poor solutions by using a two stage learning schema, in which the supervised examples are learned first and then the constraints are enforced.

This paper introduces a new approach to address the issue of class imbalance in graph neural networks (GNNs) for learning on graph-structured data. Our approach integrates imbalanced node classification and Bias-Variance Decomposition, establishing a theoretical framework that closely relates data imbalance to model variance. We also leverage graph augmentation technique to estimate the variance, and design a regularization term to alleviate the impact of imbalance. Exhaustive tests are conducted on multiple benchmarks, including naturally imbalanced datasets and public-split class-imbalanced datasets, demonstrating that our approach outperforms state-of-the-art methods in various imbalanced scenarios. This work provides a novel theoretical perspective for addressing the problem of imbalanced node classification in GNNs.

We consider the problem of designing sample efficient learning algorithms for infinite horizon discounted reward Markov Decision Process. Specifically, we propose the Accelerated Natural Policy Gradient (ANPG) algorithm that utilizes an accelerated stochastic gradient descent process to obtain the natural policy gradient. ANPG achieves $\mathcal{O}({\epsilon^{-2}})$ sample complexity and $\mathcal{O}(\epsilon^{-1})$ iteration complexity with general parameterization where $\epsilon$ defines the optimality error. This improves the state-of-the-art sample complexity by a $\log(\frac{1}{\epsilon})$ factor. ANPG is a first-order algorithm and unlike some existing literature, does not require the unverifiable assumption that the variance of importance sampling (IS) weights is upper bounded. In the class of Hessian-free and IS-free algorithms, ANPG beats the best-known sample complexity by a factor of $\mathcal{O}(\epsilon^{-\frac{1}{2}})$ and simultaneously matches their state-of-the-art iteration complexity.

Most of the current hypergraph learning methodologies and benchmarking datasets in the hypergraph realm are obtained by lifting procedures from their graph analogs, leading to overshadowing specific characteristics of hypergraphs. This paper attempts to confront some pending questions in that regard: Q1 Can the concept of homophily play a crucial role in Hypergraph Neural Networks (HNNs)? Q2 Is there room for improving current HNN architectures by carefully addressing specific characteristics of higher-order networks? Q3 Do existing datasets provide a meaningful benchmark for HNNs? To address them, we first introduce a novel conceptualization of homophily in higher-order networks based on a Message Passing (MP) scheme, unifying both the analytical examination and the modeling of higher-order networks. Further, we investigate some natural, yet mostly unexplored, strategies for processing higher-order structures within HNNs such as keeping hyperedge-dependent node representations, or performing node/hyperedge stochastic samplings, leading us to the most general MP formulation up to date -MultiSet-, as well as to an original architecture design, MultiSetMixer. Finally, we conduct an extensive set of experiments that contextualize our proposals and successfully provide insights about our inquiries.

Large language models (LLMs) have recently attracted considerable interest for their ability to perform complex reasoning tasks, such as chain-of-thought reasoning. However, most of the existing approaches to enhance this ability rely heavily on data-driven methods, while neglecting the structural aspects of the model's reasoning capacity. We find that while LLMs can manage individual reasoning steps well, they struggle with maintaining consistency across an entire reasoning chain. To solve this, we introduce planning tokens at the start of each reasoning step, serving as a guide for the model, and add their embeddings to the model parameters. Our approach requires a negligible increase in trainable parameters (just 0.001%) and can be applied through either full fine-tuning or a more parameter-efficient scheme. We demonstrate our method's effectiveness by applying it to three different LLMs, showing notable accuracy improvements across three math word problem datasets w.r.t. standard fine-tuning baselines.

In recent years, two competitive time series classification models, namely, ROCKET and MINIROCKET, have garnered considerable attention due to their low training cost and high accuracy. However, they require a large number of random 1-D convolutional kernels to comprehensively capture features, which is incompatible with resource-constrained devices. Despite the development of heuristic algorithms designed to recognize and prune redundant kernels, the inherent time-consuming nature of evolutionary algorithms hinders efficient evaluation. To effectively prune models, this paper removes redundant random kernels from a feature selection perspective by eliminating associating connections in the sequential classifier. Two innovative algorithms are proposed, where the first ADMM-based algorithm formulates the pruning challenge as a group elastic net classification problem, and the second core algorithm named P-ROCKET greatly accelerates the first one by bifurcating the problem into two sequential stages. Stage 1 of P-ROCKET introduces dynamically varying penalties to efficiently implement group-level regularization to delete redundant kernels, and Stage 2 employs element-level regularization on the remaining features to refit a linear classifier for better performance. Experimental results on diverse time series datasets show that P-ROCKET prunes up to 60% of kernels without a significant reduction in accuracy and performs 11 times faster than its counterparts. Our code is publicly available at https://github.com/ShaowuChen/P-ROCKET.

The discourse around conspiracy theories is currently thriving amidst the rampant misinformation in online environments. Research in this field has been focused on detecting conspiracy theories on social media, often relying on limited datasets. In this study, we present a novel methodology for constructing a Twitter dataset that encompasses accounts engaged in conspiracy-related activities throughout the year 2022. Our approach centers on data collection that is independent of specific conspiracy theories and information operations. Additionally, our dataset includes a control group comprising randomly selected users who can be fairly compared to the individuals involved in conspiracy activities. This comprehensive collection effort yielded a total of 15K accounts and 37M tweets extracted from their timelines. We conduct a comparative analysis of the two groups across three dimensions: topics, profiles, and behavioral characteristics. The results indicate that conspiracy and control users exhibit similarity in terms of their profile metadata characteristics. However, they diverge significantly in terms of behavior and activity, particularly regarding the discussed topics, the terminology used, and their stance on trending subjects. In addition, we find no significant disparity in the presence of bot users between the two groups. Finally, we develop a classifier to identify conspiracy users using features borrowed from bot, troll and linguistic literature. The results demonstrate a high accuracy level (with an F1 score of 0.94), enabling us to uncover the most discriminating features associated with conspiracy-related accounts.

Graph Anomaly Detection (GAD) is a technique used to identify abnormal nodes within graphs, finding applications in network security, fraud detection, social media spam detection, and various other domains. A common method for GAD is Graph Auto-Encoders (GAEs), which encode graph data into node representations and identify anomalies by assessing the reconstruction quality of the graphs based on these representations. However, existing GAE models are primarily optimized for direct link reconstruction, resulting in nodes connected in the graph being clustered in the latent space. As a result, they excel at detecting cluster-type structural anomalies but struggle with more complex structural anomalies that do not conform to clusters. To address this limitation, we propose a novel solution called GAD-NR, a new variant of GAE that incorporates neighborhood reconstruction for graph anomaly detection. GAD-NR aims to reconstruct the entire neighborhood of a node, encompassing the local structure, self-attributes, and neighbor attributes, based on the corresponding node representation. By comparing the neighborhood reconstruction loss between anomalous nodes and normal nodes, GAD-NR can effectively detect any anomalies. Extensive experimentation conducted on six real-world datasets validates the effectiveness of GAD-NR, showcasing significant improvements (by up to 30% in AUC) over state-of-the-art competitors. The source code for GAD-NR is openly available. Importantly, the comparative analysis reveals that the existing methods perform well only in detecting one or two types of anomalies out of the three types studied. In contrast, GAD-NR excels at detecting all three types of anomalies across the datasets, demonstrating its comprehensive anomaly detection capabilities.

Many processes in biology and drug discovery involve various 3D interactions between molecules, such as protein and protein, protein and small molecule, etc. Given that different molecules are usually represented in different granularity, existing methods usually encode each type of molecules independently with different models, leaving it defective to learn the universal underlying interaction physics. In this paper, we first propose to universally represent an arbitrary 3D complex as a geometric graph of sets, shedding light on encoding all types of molecules with one model. We then propose a Generalist Equivariant Transformer (GET) to effectively capture both domain-specific hierarchies and domain-agnostic interaction physics. To be specific, GET consists of a bilevel attention module, a feed-forward module and a layer normalization module, where each module is E(3) equivariant and specialized for handling sets of variable sizes. Notably, in contrast to conventional pooling-based hierarchical models, our GET is able to retain fine-grained information of all levels. Extensive experiments on the interactions between proteins, small molecules and RNA/DNAs verify the effectiveness and generalization capability of our proposed method across different domains.

Contrastive learning is an effective unsupervised method in graph representation learning, and the key component of contrastive learning lies in the construction of positive and negative samples. Previous methods usually utilize the proximity of nodes in the graph as the principle. Recently, the data-augmentation-based contrastive learning method has advanced to show great power in the visual domain, and some works extended this method from images to graphs. However, unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which leaves much space for improvement. In this work, by introducing an adversarial graph view for data augmentation, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within reasonable constraints. We develop a new technique called information regularization for stable training and use subgraph sampling for scalability. We generalize our method from node-level contrastive learning to the graph level by treating each graph instance as a super-node. ARIEL consistently outperforms the current graph contrastive learning methods for both node-level and graph-level classification tasks on real-world datasets. We further demonstrate that ARIEL is more robust in the face of adversarial attacks.