Federated Graph Learning (FGL) enables multiple clients to jointly train powerful graph learning models, e.g., Graph Neural Networks (GNNs), without sharing their local graph data for graph-related downstream tasks, such as graph property prediction. In the real world, however, the graph data can suffer from significant distribution shifts across clients as the clients may collect their graph data for different purposes. In particular, graph properties are usually associated with invariant label-relevant substructures (i.e., subgraphs) across clients, while label-irrelevant substructures can appear in a client-specific manner. The issue of distribution shifts of graph data hinders the efficiency of GNN training and leads to serious performance degradation in FGL. To tackle the aforementioned issue, we propose a novel FGL framework entitled FedVN that eliminates distribution shifts through client-specific graph augmentation strategies with multiple learnable Virtual Nodes (VNs). Specifically, FedVN lets the clients jointly learn a set of shared VNs while training a global GNN model. To eliminate distribution shifts, each client trains a personalized edge generator that determines how the VNs connect local graphs in a client-specific manner. Furthermore, we provide theoretical analyses indicating that FedVN can eliminate distribution shifts of graph data across clients. Comprehensive experiments on four datasets under five settings demonstrate the superiority of our proposed FedVN over nine baselines.

Robot simulators are indispensable tools across many fields, and recent research has significantly improved their functionality by incorporating additional gradient information. However, existing differentiable robot simulators suffer from non-differentiable singularities, when robots undergo substantial shape changes. To address this, we present the Shape-Differentiable Robot Simulator (SDRS), designed to be differentiable under significant robot shape changes. The core innovation of SDRS lies in its representation of robot shapes using a set of convex polyhedrons. This approach allows us to generalize smooth, penalty-based contact mechanics for interactions between any pair of convex polyhedrons. Using the separating hyperplane theorem, SDRS introduces a separating plane for each pair of contacting convex polyhedrons. This separating plane functions as a zero-mass auxiliary entity, with its state determined by the principle of least action. This setup ensures global differentiability, even as robot shapes undergo significant geometric and topological changes. To demonstrate the practical value of SDRS, we provide examples of robot co-design scenarios, where both robot shapes and control movements are optimized simultaneously.

Revisiting PCA for Time Series Reduction in Temporal Dimension; Jiaxin Gao, Wenbo Hu, Yuntian Chen; Deep learning has significantly advanced time series analysis (TSA), enabling the extraction of complex patterns for tasks like classification, forecasting, and regression. Although dimensionality reduction has traditionally focused on the variable space-achieving notable success in minimizing data redundancy and computational complexity-less attention has been paid to reducing the temporal dimension. In this study, we revisit Principal Component Analysis (PCA), a classical dimensionality reduction technique, to explore its utility in temporal dimension reduction for time series data. It is generally thought that applying PCA to the temporal dimension would disrupt temporal dependencies, leading to limited exploration in this area. However, our theoretical analysis and extensive experiments demonstrate that applying PCA to sliding series windows not only maintains model performance, but also enhances computational efficiency. In auto-regressive forecasting, the temporal structure is partially preserved through windowing, and PCA is applied within these windows to denoise the time series while retaining their statistical information. By preprocessing time-series data with PCA, we reduce the temporal dimensionality before feeding it into TSA models such as Linear, Transformer, CNN, and RNN architectures. This approach accelerates training and inference and reduces resource consumption. Notably, PCA improves Informer training and inference speed by up to 40% and decreases GPU memory usage of TimesNet by 30%, without sacrificing model accuracy. Comparative analysis against other reduction methods further highlights the effectiveness of PCA in improving the efficiency of TSA models.

Federated learning (FL) is a distributed training technology that enhances data privacy in mobile edge networks by allowing data owners to collaborate without transmitting raw data to the edge server. However, data heterogeneity and adversarial attacks pose challenges to develop an unbiased and robust global model for edge deployment. To address this, we propose Federated hyBrid Adversarial training and self-adversarial disTillation (FedBAT), a new framework designed to improve both robustness and generalization of the global model. FedBAT seamlessly integrates hybrid adversarial training and self-adversarial distillation into the conventional FL framework from data augmentation and feature distillation perspectives. From a data augmentation perspective, we propose hybrid adversarial training to defend against adversarial attacks by balancing accuracy and robustness through a weighted combination of standard and adversarial training. From a feature distillation perspective, we introduce a novel augmentation-invariant adversarial distillation method that aligns local adversarial features of augmented images with their corresponding unbiased global clean features. This alignment can effectively mitigate bias from data heterogeneity while enhancing both the robustness and generalization of the global model. Extensive experimental results across multiple datasets demonstrate that FedBAT yields comparable or superior performance gains in improving robustness while maintaining accuracy compared to several baselines.

Early Exiting (EE) is a promising technique for speeding up inference by adaptively allocating compute resources to data points based on their difficulty. The approach enables predictions to exit at earlier layers for simpler samples while reserving more computation for challenging ones. In this study, we first present a novel perspective on the EE approach, showing that larger models deployed with EE can achieve higher performance than smaller models while maintaining similar computational costs. As existing EE approaches rely on confidence estimation at each exit point, we further study the impact of overconfidence on the controllability of the compute-performance trade-off. We introduce Performance Control Early Exiting (PCEE), a method that enables accuracy thresholding by basing decisions not on a data point's confidence but on the average accuracy of samples with similar confidence levels from a held-out validation set. In our experiments, we show that PCEE offers a simple yet computationally efficient approach that provides better control over performance than standard confidence-based approaches, and allows us to scale up model sizes to yield performance gain while reducing the computational cost.

PearSAN is a machine learning-assisted optimization algorithm applicable to inverse design problems with large design spaces, where traditional optimizers struggle. The algorithm leverages the latent space of a generative model for rapid sampling and employs a Pearson correlated surrogate model to predict the figure of merit of the true design metric. As a showcase example, PearSAN is applied to thermophotovoltaic (TPV) metasurface design by matching the working bands between a thermal radiator and a photovoltaic cell. PearSAN can work with any pretrained generative model with a discretized latent space, making it easy to integrate with VQ-VAEs and binary autoencoders. Its novel Pearson correlational loss can be used as both a latent regularization method, similar to batch and layer normalization, and as a surrogate training loss. We compare both to previous energy matching losses, which are shown to enforce poor regularization and performance, even with upgraded affine parameters. PearSAN achieves a state-of-the-art maximum design efficiency of 97%, and is at least an order of magnitude faster than previous methods, with an improved maximum figure-of-merit gain.

We investigate the efficacy of large language models (LLMs) in sentiment analysis of U.S. financial news and their potential in predicting stock market returns. We analyze a dataset comprising 965,375 news articles that span from January 1, 2010, to June 30, 2023; we focus on the performance of various LLMs, including BERT, OPT, FINBERT, and the traditional Loughran-McDonald dictionary model, which has been a dominant methodology in the finance literature. The study documents a significant association between LLM scores and subsequent daily stock returns. Specifically, OPT, which is a GPT-3 based LLM, shows the highest accuracy in sentiment prediction with an accuracy of 74.4%, slightly ahead of BERT (72.5%) and FINBERT (72.2%). In contrast, the Loughran-McDonald dictionary model demonstrates considerably lower effectiveness with only 50.1% accuracy. Regression analyses highlight a robust positive impact of OPT model scores on next-day stock returns, with coefficients of 0.274 and 0.254 in different model specifications. BERT and FINBERT also exhibit predictive relevance, though to a lesser extent. Notably, we do not observe a significant relationship between the Loughran-McDonald dictionary model scores and stock returns, challenging the efficacy of this traditional method in the current financial context. In portfolio performance, the long-short OPT strategy excels with a Sharpe ratio of 3.05, compared to 2.11 for BERT and 2.07 for FINBERT long-short strategies. Strategies based on the Loughran-McDonald dictionary yield the lowest Sharpe ratio of 1.23. Our findings emphasize the superior performance of advanced LLMs, especially OPT, in financial market prediction and portfolio management, marking a significant shift in the landscape of financial analysis tools with implications to financial regulation and policy analysis.

Machine learning systems increasingly drive innovation across scientific fields and industry, yet challenges in compute overhead, specifically during inference, limit their scalability and sustainability. Responsible AI guardrails, essential for ensuring fairness, transparency, and privacy, further exacerbate these computational demands. This study addresses critical gaps in the literature, chiefly the lack of generalized predictive techniques for latency and energy consumption, limited cross-comparisons of classifiers, and unquantified impacts of RAI guardrails on inference performance. Using Theory Construction Methodology, this work constructed a model-agnostic theoretical framework for predicting latency and energy consumption in binary classification models during inference. The framework synthesizes classifier characteristics, dataset properties, and RAI guardrails into a unified analytical instrument. Two predictive equations are derived that capture the interplay between these factors while offering generalizability across diverse classifiers. The proposed framework provides foundational insights for designing efficient, responsible ML systems. It enables researchers to benchmark and optimize inference performance and assists practitioners in deploying scalable solutions. Finally, this work establishes a theoretical foundation for balancing computational efficiency with ethical AI principles, paving the way for future empirical validation and broader applications.

Spherical Sliced-Wasserstein (SSW) has recently been proposed to measure the discrepancy between spherical data distributions in various fields, such as geology, medical domains, computer vision, and deep representation learning. However, in the original SSW, all projection directions are treated equally, which is too idealistic and cannot accurately reflect the importance of different projection directions for various data distributions. To address this issue, we propose a novel data-adaptive Discriminative Spherical Sliced-Wasserstein (DSSW) distance, which utilizes a projected energy function to determine the discriminative projection direction for SSW. In our new DSSW, we introduce two types of projected energy functions to generate the weights for projection directions with complete theoretical guarantees. The first type employs a non-parametric deterministic function that transforms the projected Wasserstein distance into its corresponding weight in each projection direction. This improves the performance of the original SSW distance with negligible additional computational overhead. The second type utilizes a neural network-induced function that learns the projection direction weight through a parameterized neural network based on data projections. This further enhances the performance of the original SSW distance with less extra computational overhead. Finally, we evaluate the performance of our proposed DSSW by comparing it with several state-of-the-art methods across a variety of machine learning tasks, including gradient flows, density estimation on real earth data, and self-supervised learning.

Instance selection (IS) is a crucial technique in machine learning that aims to reduce dataset size while maintaining model performance. This paper introduces a novel method called Graph Attention-based Instance Selection (GAIS), which leverages Graph Attention Networks (GATs) to identify the most informative instances in a dataset. GAIS represents the data as a graph and uses GATs to learn node representations, enabling it to capture complex relationships between instances. The method processes data in chunks, applies random masking and similarity thresholding during graph construction, and selects instances based on confidence scores from the trained GAT model. Experiments on 13 diverse datasets demonstrate that GAIS consistently outperforms traditional IS methods in terms of effectiveness, achieving high reduction rates (average 96\%) while maintaining or improving model performance. Although GAIS exhibits slightly higher computational costs, its superior performance in maintaining accuracy with significantly reduced training data makes it a promising approach for graph-based data selection.