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 Performance Analysis


Fairness-informed Pareto Optimization : An Efficient Bilevel Framework

arXiv.org Machine Learning

Despite their promise, fair machine learning methods often yield Pareto-inefficient models, in which the performance of certain groups can be improved without degrading that of others. This issue arises frequently in traditional in-processing approaches such as fairness-through-regularization. In contrast, existing Pareto-efficient approaches are biased towards a certain perspective on fairness and fail to adapt to the broad range of fairness metrics studied in the literature. In this paper, we present BADR, a simple framework to recover the optimal Pareto-efficient model for any fairness metric. Our framework recovers its models through a Bilevel Adaptive Rescalarisation procedure. The lower level is a weighted empirical risk minimization task where the weights are a convex combination of the groups, while the upper level optimizes the chosen fairness objective. We equip our framework with two novel large-scale, single-loop algorithms, BADR-GD and BADR-SGD, and establish their convergence guarantees. We release badr, an open-source Python toolbox implementing our framework for a variety of learning tasks and fairness metrics. Finally, we conduct extensive numerical experiments demonstrating the advantages of BADR over existing Pareto-efficient approaches to fairness.


engGNN: A Dual-Graph Neural Network for Omics-Based Disease Classification and Feature Selection

arXiv.org Machine Learning

Omics data, such as transcriptomics, proteomics, and metabolomics, provide critical insights into disease mechanisms and clinical outcomes. However, their high dimensionality, small sample sizes, and intricate biological networks pose major challenges for reliable prediction and meaningful interpretation. Graph Neural Networks (GNNs) offer a promising way to integrate prior knowledge by encoding feature relationships as graphs. Yet, existing methods typically rely solely on either an externally curated feature graph or a data-driven generated one, which limits their ability to capture complementary information. To address this, we propose the external and generated Graph Neural Network (engGNN), a dual-graph framework that jointly leverages both external known biological networks and data-driven generated graphs. Specifically, engGNN constructs a biologically informed undirected feature graph from established network databases and complements it with a directed feature graph derived from tree-ensemble models. This dual-graph design produces more comprehensive embeddings, thereby improving predictive performance and interpretability. Through extensive simulations and real-world applications to gene expression data, engGNN consistently outperforms state-of-the-art baselines. Beyond classification, engGNN provides interpretable feature importance scores that facilitate biologically meaningful discoveries, such as pathway enrichment analysis. Taken together, these results highlight engGNN as a robust, flexible, and interpretable framework for disease classification and biomarker discovery in high-dimensional omics contexts.


Demystifying the trend of the healthcare index: Is historical price a key driver?

arXiv.org Machine Learning

Healthcare sector indices consolidate the economic health of pharmaceutical, biotechnology, and healthcare service firms. The short-term movements in these indices are closely intertwined with capital allocation decisions affecting research and development investment, drug availability, and long-term health outcomes. This research investigates whether historical open-high-low-close (OHLC) index data contain sufficient information for predicting the directional movement of the opening index on the subsequent trading day. The problem is formulated as a supervised classification task involving a one-step-ahead rolling window. A diverse feature set is constructed, comprising original prices, volatility-based technical indicators, and a novel class of nowcasting features derived from mutual OHLC ratios. The framework is evaluated on data from healthcare indices in the U.S. and Indian markets over a five-year period spanning multiple economic phases, including the COVID-19 pandemic. The results demonstrate robust predictive performance, with accuracy exceeding 0.8 and Matthews correlation coefficients above 0.6. Notably, the proposed nowcasting features have emerged as a key determinant of the market movement. We have employed the Shapley-based explainability paradigm to further elucidate the contribution of the features: outcomes reveal the dominant role of the nowcasting features, followed by a more moderate contribution of original prices. This research offers a societal utility: the proposed features and model for short-term forecasting of healthcare indices can reduce information asymmetry and support a more stable and equitable health economy.


Does Privacy Always Harm Fairness? Data-Dependent Trade-offs via Chernoff Information Neural Estimation

arXiv.org Machine Learning

Fairness and privacy are two vital pillars of trustworthy machine learning. Despite extensive research on these individual topics, the relationship between fairness and privacy has received significantly less attention. In this paper, we utilize the information-theoretic measure Chernoff Information to highlight the data-dependent nature of the relationship among the triad of fairness, privacy, and accuracy. We first define Noisy Chernoff Difference, a tool that allows us to analyze the relationship among the triad simultaneously. We then show that for synthetic data, this value behaves in 3 distinct ways (depending on the distribution of the data). We highlight the data distributions involved in these cases and explore their fairness and privacy implications. Additionally, we show that Noisy Chernoff Difference acts as a proxy for the steepness of the fairness-accuracy curves. Finally, we propose a method for estimating Chernoff Information on data from unknown distributions and utilize this framework to examine the triad dynamic on real datasets. This work builds towards a unified understanding of the fairness-privacy-accuracy relationship and highlights its data-dependent nature.


Distribution-Free Confidence Ellipsoids for Ridge Regression with PAC Bounds

arXiv.org Machine Learning

Linearly parametrized models are widely used in control and signal processing, with the least-squares (LS) estimate being the archetypical solution. When the input is insufficiently exciting, the LS problem may be unsolvable or numerically unstable. This issue can be resolved through regularization, typically with ridge regression. Although regularized estimators reduce the variance error, it remains important to quantify their estimation uncertainty. A possible approach for linear regression is to construct confidence ellipsoids with the Sign-Perturbed Sums (SPS) ellipsoidal outer approximation (EOA) algorithm. The SPS EOA builds non-asymptotic confidence ellipsoids under the assumption that the noises are independent and symmetric about zero. This paper introduces an extension of the SPS EOA algorithm to ridge regression, and derives probably approximately correct (PAC) upper bounds for the resulting region sizes. Compared with previous analyses, our result explicitly show how the regularization parameter affects the region sizes, and provide tighter bounds under weaker excitation assumptions. Finally, the practical effect of regularization is also demonstrated via simulation experiments.


How Well Do LLMs Predict Human Behavior? A Measure of their Pretrained Knowledge

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used in economics as predictive tools--both to generate synthetic responses in place of human subjects (Horton, 2023; Anthis et al., 2025), and to forecast economic outcomes directly (Hewitt et al., 2024a; Faria-e Castro and Leibovici, 2024; Chan-Lau et al., 2025). Their appeal in these roles is obvious: A pretrained LLM embeds a vast amount of information and can be deployed at negligible cost, often in settings where collecting new, domain-specific human data would be expensive or infeasible. What remains unclear is how to assess the quality of these predictions. This paper proposes a measure that quantifies the domain-specific value of LLMs in an interpretable unit: the amount of human data they substitute for. Specifically, we ask how much human data would be required for a conventional model trained on that data to match the predictive performance of the pretrained LLM in that domain.


Geometric Stability: The Missing Axis of Representations

arXiv.org Machine Learning

Analysis of learned representations has a blind spot: it focuses on $similarity$, measuring how closely embeddings align with external references, but similarity reveals only what is represented, not whether that structure is robust. We introduce $geometric$ $stability$, a distinct dimension that quantifies how reliably representational geometry holds under perturbation, and present $Shesha$, a framework for measuring it. Across 2,463 configurations in seven domains, we show that stability and similarity are empirically uncorrelated ($ρ\approx 0.01$) and mechanistically distinct: similarity metrics collapse after removing the top principal components, while stability retains sensitivity to fine-grained manifold structure. This distinction yields actionable insights: for safety monitoring, stability acts as a functional geometric canary, detecting structural drift nearly 2$\times$ more sensitively than CKA while filtering out the non-functional noise that triggers false alarms in rigid distance metrics; for controllability, supervised stability predicts linear steerability ($ρ= 0.89$-$0.96$); for model selection, stability dissociates from transferability, revealing a geometric tax that transfer optimization incurs. Beyond machine learning, stability predicts CRISPR perturbation coherence and neural-behavioral coupling. By quantifying $how$ $reliably$ systems maintain structure, geometric stability provides a necessary complement to similarity for auditing representations across biological and computational systems.


Detecting Batch Heterogeneity via Likelihood Clustering

arXiv.org Machine Learning

Batch effects represent a major confounder in genomic diagnostics. In copy number variant (CNV) detection from NGS, many algorithms compare read depth between test samples and a reference sample, assuming they are process-matched. When this assumption is violated, with causes ranging from reagent lot changes to multi-site processing, the reference becomes inappropriate, introducing false CNV calls or masking true pathogenic variants. Detecting such heterogeneity before downstream analysis is critical for reliable clinical interpretation. Existing batch effect detection methods either cluster samples based on raw features, risking conflation of biological signal with technical variation, or require known batch labels that are frequently unavailable. We introduce a method that addresses both limitations by clustering samples according to their Bayesian model evidence. The central insight is that evidence quantifies compatibility between data and model assumptions, technical artifacts violate assumptions and reduce evidence, whereas biological variation, including CNV status, is anticipated by the model and yields high evidence. This asymmetry provides a discriminative signal that separates batch effects from biology. We formalize heterogeneity detection as a likelihood ratio test for mixture structure in evidence space, using parametric bootstrap calibration to ensure conservative false positive rates. We validate our approach on synthetic data demonstrating proper Type I error control, three clinical targeted sequencing panels (liquid biopsy, BRCA, and thalassemia) exhibiting distinct batch effect mechanisms, and mouse electrophysiology recordings demonstrating cross-modality generalization. Our method achieves superior clustering accuracy compared to standard correlation-based and dimensionality-reduction approaches while maintaining the conservativeness required for clinical usage.


LARGE: A Locally Adaptive Regularization Approach for Estimating Gaussian Graphical Models

arXiv.org Machine Learning

The graphical Lasso (GLASSO) is a widely used algorithm for learning high-dimensional undirected Gaussian graphical models (GGM). Given i.i.d. observations from a multivariate normal distribution, GLASSO estimates the precision matrix by maximizing the log-likelihood with an \ell_1-penalty on the off-diagonal entries. However, selecting an optimal regularization parameter λin this unsupervised setting remains a significant challenge. A well-known issue is that existing methods, such as out-of-sample likelihood maximization, select a single global λand do not account for heterogeneity in variable scaling or partial variances. Standardizing the data to unit variances, although a common workaround, has been shown to negatively affect graph recovery. Addressing the problem of nodewise adaptive tuning in graph estimation is crucial for applications like computational neuroscience, where brain networks are constructed from highly heterogeneous, region-specific fMRI data. In this work, we develop Locally Adaptive Regularization for Graph Estimation (LARGE), an approach to adaptively learn nodewise tuning parameters to improve graph estimation and selection. In each block coordinate descent step of GLASSO, we augment the nodewise Lasso regression to jointly estimate the regression coefficients and error variance, which in turn guides the adaptive learning of nodewise penalties. In simulations, LARGE consistently outperforms benchmark methods in graph recovery, demonstrates greater stability across replications, and achieves the best estimation accuracy in the most difficult simulation settings. We demonstrate the practical utility of our method by estimating brain functional connectivity from a real fMRI data set.


Constraint- and Score-Based Nonlinear Granger Causality Discovery with Kernels

arXiv.org Machine Learning

Granger causality (GC) [15] is a time series causal discovery framework that uses predictive modeling to identify the underlying causal structure of a time series system. Relying on the assumption that cause precedes effect, GC assesses whether including the lagged information from one time series in the autoregressive model of a second time series enhances its predictions. This improvement indicates a predictive relationship between the time series variables, where one time series provides supplemental information about the future of another time series, thereby signifying the presence of a (Granger) causal relationship. GC requires only observational data, and has been used for time series causal discovery across diverse domains, including climate science [33], political and social sciences [17], econometrics [4], and biological systems studies [13]. The original formulation of GC requires several assumptions to be satisfied for causal identifiability. In regards to the candidate time series system, it is assumed that the time series variables are stationary, and that all variables are observed (absence of latent confounders). GC was initially proposed for bivariate time series systems, but was generalised for the multivariate setting to accommodate the assumption that all relevant variables are included in the analysis [15]. Additional assumptions are made with regard to the types of causal relationships that can be identified within the time series system. GC cannot estimate a causal relationship between time series at an instantaneous time point, relying on the relationship between the lags and predicted values to determine a GC relationship.