This paper introduces a new kernel-based classifier by viewing kernel matrices as generalized graphs and leveraging recent progress in graph embedding techniques. The proposed method facilitates fast and scalable kernel matrix embedding, and seamlessly integrates multiple kernels to enhance the learning process. Our theoretical analysis offers a population-level characterization of this approach using random variables. Empirically, our method demonstrates superior running time compared to standard approaches such as support vector machines and two-layer neural network, while achieving comparable classification accuracy across various simulated and real datasets.

Asynchronous Federated Learning (AFL) methods have emerged as promising alternatives to their synchronous counterparts bounded by the slowest agent, yet they add additional challenges in convergence guarantees, fairness with respect to compute heterogeneity, and incorporation of staleness in aggregated updates. Specifically, AFL biases model training heavily towards agents who can produce updates faster, leaving slower agents behind, who often also have differently distributed data which is not learned by the global model. Naively upweighting introduces incentive issues, where true fast updating agents may falsely report updates at a slower speed to increase their contribution to model training. We introduce FedStaleWeight, an algorithm addressing fairness in aggregating asynchronous client updates by employing average staleness to compute fair re-weightings. FedStaleWeight reframes asynchronous federated learning aggregation as a mechanism design problem, devising a weighting strategy that incentivizes truthful compute speed reporting without favoring faster update-producing agents by upweighting agent updates based on staleness. Leveraging only observed agent update staleness, FedStaleWeight results in more equitable aggregation on a per-agent basis. We both provide theoretical convergence guarantees in the smooth, non-convex setting and empirically compare FedStaleWeight against the commonly used asynchronous FedBuff with gradient averaging, demonstrating how it achieves stronger fairness, expediting convergence to a higher global model accuracy. Finally, we provide an open-source test bench to facilitate exploration of buffered AFL aggregation strategies, fostering further research in asynchronous federated learning paradigms.

Graph Neural Networks (GNNs) are recognized as potent tools for processing real-world data organized in graph structures. Especially inductive GNNs, which enable the processing of graph-structured data without relying on predefined graph structures, are gaining importance in an increasingly wide variety of applications. As these networks demonstrate proficiency across a range of tasks, they become lucrative targets for model-stealing attacks where an adversary seeks to replicate the functionality of the targeted network. A large effort has been made to develop model-stealing attacks that focus on models trained with images and texts. However, little attention has been paid to GNNs trained on graph data. This paper introduces a novel method for unsupervised model-stealing attacks against inductive GNNs, based on graph contrasting learning and spectral graph augmentations to efficiently extract information from the target model. The proposed attack is thoroughly evaluated on six datasets. The results show that this approach demonstrates a higher level of efficiency compared to existing stealing attacks. More concretely, our attack outperforms the baseline on all benchmarks achieving higher fidelity and downstream accuracy of the stolen model while requiring fewer queries sent to the target model.

SoftMax is a ubiquitous ingredient of modern machine learning algorithms. It maps an input vector onto a probability simplex and reweights the input by concentrating the probability mass at large entries. Yet, as a smooth approximation to the Argmax function, a significant amount of probability mass is distributed to other, residual entries, leading to poor interpretability and noise. Although sparsity can be achieved by a family of SoftMax variants, they often require an alternative loss function and do not preserve multi-modality. We show that this trade-off between multi-modality and sparsity limits the expressivity of SoftMax as well as its variants. We provide a solution to this tension between objectives by proposing a piece-wise differentiable function, termed MultiMax, which adaptively modulates the output distribution according to input entry range. Through comprehensive analysis and evaluation, we show that MultiMax successfully produces a distribution that supresses irrelevant entries while preserving multimodality, with benefits in image classification, language modeling and machine translation. The code is available at https://github.com/ZhouYuxuanYX/MultiMax.

Spiking neural networks (SNNs) have gained prominence for their potential in neuromorphic computing and energy-efficient artificial intelligence, yet optimizing them remains a formidable challenge for gradient-based methods due to their discrete, spike-based computation. This paper attempts to tackle the challenges by introducing Cosine Annealing Differential Evolution (CADE), designed to modulate the mutation factor (F) and crossover rate (CR) of differential evolution (DE) for the SNN model, i.e., Spiking Element Wise (SEW) ResNet. Extensive empirical evaluations were conducted to analyze CADE. CADE showed a balance in exploring and exploiting the search space, resulting in accelerated convergence and improved accuracy compared to existing gradient-based and DE-based methods. Moreover, an initialization method based on a transfer learning setting was developed, pretraining on a source dataset (i.e., CIFAR-10) and fine-tuning the target dataset (i.e., CIFAR-100), to improve population diversity. It was found to further enhance CADE for SNN. Remarkably, CADE elevates the performance of the highest accuracy SEW model by an additional 0.52 percentage points, underscoring its effectiveness in fine-tuning and enhancing SNNs. These findings emphasize the pivotal role of a scheduler for F and CR adjustment, especially for DE-based SNN. Source Code on Github: https://github.com/Tank-Jiang/CADE4SNN.

Tsetlin machines (TMs) have been successful in several application domains, operating with high efficiency on Boolean representations of the input data. However, Booleanizing complex data structures such as sequences, graphs, images, signal spectra, chemical compounds, and natural language is not trivial. In this paper, we propose a hypervector (HV) based method for expressing arbitrarily large sets of concepts associated with any input data. Using a hyperdimensional space to build vectors drastically expands the capacity and flexibility of the TM. We demonstrate how images, chemical compounds, and natural language text are encoded according to the proposed method, and how the resulting HV-powered TM can achieve significantly higher accuracy and faster learning on well-known benchmarks. Our results open up a new research direction for TMs, namely how to expand and exploit the benefits of operating in hyperspace, including new booleanization strategies, optimization of TM inference and learning, as well as new TM applications.

Supervised learning has gone beyond the expected risk minimization framework. Central to most of these developments is the introduction of more general aggregation functions for losses incurred by the learner. In this paper, we turn towards online learning under expert advice. Via easily justified assumptions we characterize a set of reasonable loss aggregation functions as quasi-sums. Based upon this insight, we suggest a variant of the Aggregating Algorithm tailored to these more general aggregation functions. This variant inherits most of the nice theoretical properties of the AA, such as recovery of Bayes' updating and a time-independent bound on quasi-sum regret. Finally, we argue that generalized aggregations express the attitude of the learner towards losses.

Recurrent neural networks (RNNs) are a widely used tool for sequential data analysis, however, they are still often seen as black boxes of computation. Understanding the functional principles of these networks is critical to developing ideal model architectures and optimization strategies. Previous studies typically only emphasize the network representation post-training, overlooking their evolution process throughout training. Here, we present Multiway Multislice PHATE (MM-PHATE), a novel method for visualizing the evolution of RNNs' hidden states. MM-PHATE is a graph-based embedding using structured kernels across the multiple dimensions spanned by RNNs: time, training epoch, and units. We demonstrate on various datasets that MM-PHATE uniquely preserves hidden representation community structure among units and identifies information processing and compression phases during training. The embedding allows users to look under the hood of RNNs across training and provides an intuitive and comprehensive strategy to understanding the network's internal dynamics and draw conclusions, e.g., on why and how one model outperforms another or how a specific architecture might impact an RNN's learning ability.

Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and increased complexity, GNNs are becoming highly specialized when tested on a few well-known datasets. However, how the performance of GNNs depends on the topological and features properties of graphs is still an open question. In this work, we introduce a comprehensive benchmarking framework for graph machine learning, focusing on the performance of GNNs across varied network structures. Utilizing the geometric soft configuration model in hyperbolic space, we generate synthetic networks with realistic topological properties and node feature vectors. This approach enables us to assess the impact of network properties, such as topology-feature correlation, degree distributions, local density of triangles (or clustering), and homophily, on the effectiveness of different GNN architectures. Our results highlight the dependency of model performance on the interplay between network structure and node features, providing insights for model selection in various scenarios. This study contributes to the field by offering a versatile tool for evaluating GNNs, thereby assisting in developing and selecting suitable models based on specific data characteristics.

We consider the problem of optimizing initial conditions and timing in dynamical systems governed by unknown ordinary differential equations (ODEs), where evaluating different initial conditions is costly and there are constraints on observation times. To identify the optimal conditions within several trials, we introduce a few-shot Bayesian Optimization (BO) framework based on the system's prior information. At the core of our approach is the System-Aware Neural ODE Processes (SANODEP), an extension of Neural ODE Processes (NODEP) designed to meta-learn ODE systems from multiple trajectories using a novel context embedding block. Additionally, we propose a multi-scenario loss function specifically for optimization purposes. Our two-stage BO framework effectively incorporates search space constraints, enabling efficient optimization of both initial conditions and observation timings. We conduct extensive experiments showcasing SANODEP's potential for few-shot BO. We also explore SANODEP's adaptability to varying levels of prior information, highlighting the trade-off between prior flexibility and model fitting accuracy.