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Scientific Data Compression and Super-Resolution Sampling

arXiv.org Machine Learning

Modern scientific simulations, observations, and large-scale experiments generate data at volumes that often exceed the limits of storage, processing, and analysis. This challenge drives the development of data reduction methods that efficiently manage massive datasets while preserving essential physical features and quantities of interest. In many scientific workflows, it is also crucial to enable data recovery from compressed representations - a task known as super-resolution - with guarantees on the preservation of key physical characteristics. A notable example is checkpointing and restarting, which is essential for long-running simulations to recover from failures, resume after interruptions, or examine intermediate results. In this work, we introduce a novel framework for scientific data compression and super-resolution, grounded in recent advances in learning exponential families. Our method preserves and quantifies uncertainty in physical quantities of interest and supports flexible trade-offs between compression ratio and reconstruction fidelity.


The Shape of Data: Topology Meets Analytics. A Practical Introduction to Topological Analytics and the Stability Index (TSI) in Business

arXiv.org Machine Learning

Modern business and economic datasets often exhibit nonlinear, multi-scale structures that traditional linear tools under-represent. Topological Data Analysis (TDA) offers a geometric lens for uncovering robust patterns, such as connected components, loops and voids, across scales. This paper provides an intuitive, figure-driven introduction to persistent homology and a practical, reproducible TDA pipeline for applied analysts. Through comparative case studies in consumer behavior, equity markets (SAX/eSAX vs.\ TDA) and foreign exchange dynamics, we demonstrate how topological features can reveal segmentation patterns and structural relationships beyond classical statistical methods. We discuss methodological choices regarding distance metrics, complex construction and interpretation, and we introduce the \textit{Topological Stability Index} (TSI), a simple yet interpretable indicator of structural variability derived from persistence lifetimes. We conclude with practical guidelines for TDA implementation, visualization and communication in business and economic analytics.


Laplace Learning in Wasserstein Space

arXiv.org Machine Learning

The curation of large-scale, fully annotated training datasets remains a major bottleneck due to the high cost and expertise required for manual labelling. For example, in biomedical imaging applications such as flow cytom-etry [12, 67], gene expression microarrays [23, 24], and proteomic assays [18], modern technologies generate high-dimensional data far faster than it can be annotated. As a result, only a small fraction of samples receive reliable labels, despite their routine use in classification tasks. This motivates graph-based semi-supervised methods, which exploits the geometric structure of the data to improve predictions with limited supervision. In this paper, we focus on a special class of graph-based semi-supervised methods, namely Laplace Learning [68], to study classification in high-dimensional settings. This method exploits the geometric structure inherent in large quantities of unlabelled data to improve label predictions. However, leveraging the underlying geometry in high-dimensional datasets presents substantial challenges, including the well-known curse of dimensionality [22, 44] and poor generalization capacity [18]. In theory, a well-established trend in statistics suggests that high-dimensional data often possess an intrinsic low-dimensional structure, a concept formalized by the manifold hypothesis [25]. This hypothesis asserts that data are supported (or nearly supported) on a low-dimensional manifold with a small intrinsic dimension.


On the Information Processing of One-Dimensional Wasserstein Distances with Finite Samples

arXiv.org Machine Learning

Leveraging the Wasserstein distance -- a summation of sample-wise transport distances in data space -- is advantageous in many applications for measuring support differences between two underlying density functions. However, when supports significantly overlap while densities exhibit substantial pointwise differences, it remains unclear whether and how this transport information can accurately identify these differences, particularly their analytic characterization in finite-sample settings. We address this issue by conducting an analysis of the information processing capabilities of the one-dimensional Wasserstein distance with finite samples. By utilizing the Poisson process and isolating the rate factor, we demonstrate the capability of capturing the pointwise density difference with Wasserstein distances and how this information harmonizes with support differences. The analyzed properties are confirmed using neural spike train decoding and amino acid contact frequency data. The results reveal that the one-dimensional Wasserstein distance highlights meaningful density differences related to both rate and support.


Function-on-Function Bayesian Optimization

arXiv.org Machine Learning

Bayesian optimization (BO) has been widely used to optimize expensive and gradient-free objective functions across various domains. However, existing BO methods have not addressed the objective where both inputs and outputs are functions, which increasingly arise in complex systems as advanced sensing technologies. To fill this gap, we propose a novel function-on-function Bayesian optimization (FFBO) framework. Specifically, we first introduce a function-on-function Gaussian process (FFGP) model with a separable operator-valued kernel to capture the correlations between function-valued inputs and outputs. Compared to existing Gaussian process models, FFGP is modeled directly in the function space. Based on FFGP, we define a scalar upper confidence bound (UCB) acquisition function using a weighted operator-based scalarization strategy. Then, a scalable functional gradient ascent algorithm (FGA) is developed to efficiently identify the optimal function-valued input. We further analyze the theoretical properties of the proposed method. Extensive experiments on synthetic and real-world data demonstrate the superior performance of FFBO over existing approaches.


A Closer Look at Personalized Fine-Tuning in Heterogeneous Federated Learning

arXiv.org Machine Learning

Federated Learning (FL) enables decentralized, privacy-preserving model training but struggles to balance global generalization and local personalization due to non-identical data distributions across clients. Personalized Fine-Tuning (PFT), a popular post-hoc solution, fine-tunes the final global model locally but often overfits to skewed client distributions or fails under domain shifts. We propose adapting Linear Probing followed by full Fine-Tuning (LP-FT), a principled centralized strategy for alleviating feature distortion (Kumar et al., 2022), to the FL setting. Through systematic evaluation across seven datasets and six PFT variants, we demonstrate LP-FT's superiority in balancing personalization and generalization. Our analysis uncovers federated feature distortion, a phenomenon where local fine-tuning destabilizes globally learned features, and theoretically characterizes how LP-FT mitigates this via phased parameter updates. We further establish conditions (e.g., partial feature overlap, covariate-concept shift) under which LP-FT outperforms standard fine-tuning, offering actionable guidelines for deploying robust personalization in FL.


Finding Time Series Anomalies using Granular-ball Vector Data Description

arXiv.org Machine Learning

Modeling normal behavior in dynamic, nonlinear time series data is challenging for effective anomaly detection. Traditional methods, such as nearest neighbor and clustering approaches, often depend on rigid assumptions, such as a predefined number of reliable neighbors or clusters, which frequently break down in complex temporal scenarios. To address these limitations, we introduce the Granular-ball One-Class Network (GBOC), a novel approach based on a data-adaptive representation called Granular-ball Vector Data Description (GVDD). GVDD partitions the latent space into compact, high-density regions represented by granular-balls, which are generated through a density-guided hierarchical splitting process and refined by removing noisy structures. Each granular-ball serves as a prototype for local normal behavior, naturally positioning itself between individual instances and clusters while preserving the local topological structure of the sample set. During training, GBOC improves the compactness of representations by aligning samples with their nearest granular-ball centers. During inference, anomaly scores are computed based on the distance to the nearest granular-ball. By focusing on dense, high-quality regions and significantly reducing the number of prototypes, GBOC delivers both robustness and efficiency in anomaly detection. Extensive experiments validate the effectiveness and superiority of the proposed method, highlighting its ability to handle the challenges of time series anomaly detection.


Deep Reinforcement Learning for Automated Stock Trading: An Ensemble Strategy

arXiv.org Machine Learning

Stock trading strategies play a critical role in investment. However, it is challenging to design a profitable strategy in a complex and dynamic stock market. In this paper, we propose an ensemble strategy that employs deep reinforcement schemes to learn a stock trading strategy by maximizing investment return. We train a deep reinforcement learning agent and obtain an ensemble trading strategy using three actor-critic based algorithms: Proximal Policy Optimization (PPO), Advantage Actor Critic (A2C), and Deep Deterministic Policy Gradient (DDPG). The ensemble strategy inherits and integrates the best features of the three algorithms, thereby robustly adjusting to different market situations. In order to avoid the large memory consumption in training networks with continuous action space, we employ a load-on-demand technique for processing very large data. We test our algorithms on the 30 Dow Jones stocks that have adequate liquidity. The performance of the trading agent with different reinforcement learning algorithms is evaluated and compared with both the Dow Jones Industrial Average index and the traditional min-variance portfolio allocation strategy. The proposed deep ensemble strategy is shown to outperform the three individual algorithms and two baselines in terms of the risk-adjusted return measured by the Sharpe ratio. This work is fully open-sourced at \href{https://github.com/AI4Finance-Foundation/Deep-Reinforcement-Learning-for-Automated-Stock-Trading-Ensemble-Strategy-ICAIF-2020}{GitHub}.


Generalized Inequality-based Approach for Probabilistic WCET Estimation

arXiv.org Machine Learning

Estimating the probabilistic Worst-Case Execution Time (pWCET) is essential for ensuring the timing correctness of real-time applications, such as in robot IoT systems and autonomous driving systems. While methods based on Extreme Value Theory (EVT) can provide tight bounds, they suffer from model uncertainty due to the need to decide where the upper tail of the distribution begins. Conversely, inequality-based approaches avoid this issue but can yield pessimistic results for heavy-tailed distributions. This paper proposes a method to reduce such pessimism by incorporating saturating functions (arctangent and hyperbolic tangent) into Chebyshev's inequality, which mitigates the influence of large outliers while preserving mathematical soundness. Evaluations on synthetic and real-world data from the Autoware autonomous driving stack demonstrate that the proposed method achieves safe and tighter bounds for such distributions.


Breaking the Dyadic Barrier: Rethinking Fairness in Link Prediction Beyond Demographic Parity

arXiv.org Machine Learning

Link prediction is a fundamental task in graph machine learning with applications ranging from social recommendation to knowledge graph completion. Fairness in this setting is critical, as biased predictions can exacerbate societal inequalities. Prior work adopts a dyadic definition of fairness, enforcing fairness through demographic parity between intra-group and inter-group link predictions. However, we show that this dyadic framing can obscure underlying disparities across subgroups, allowing systemic biases to go undetected. Moreover, we argue that demographic parity does not meet the desired properties for fairness assessment in ranking-based tasks such as link prediction. We formalize the limitations of existing fairness evaluations and propose a framework that enables a more expressive assessment. Additionally, we propose a lightweight post-processing method combined with decoupled link predictors that effectively mitigates bias and achieves state-of-the-art fairness-utility trade-offs.