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 Uncertainty


A Comprehensive Evaluation Framework for Synthetic Trip Data Generation in Public Transport

arXiv.org Artificial Intelligence

Synthetic data offers a promising solution to the privacy and accessibility challenges of using smart card data in public transport research. Despite rapid progress in generative modeling, there is limited attention to comprehensive evaluation, leaving unclear how reliable, safe, and useful synthetic data truly are. Existing evaluations remain fragmented, typically limited to population-level representativeness or record-level privacy, without considering group-level variations or task-specific utility. To address this gap, we propose a Representativeness-Privacy-Utility (RPU) framework that systematically evaluates synthetic trip data across three complementary dimensions and three hierarchical levels (record, group, population). The framework integrates a consistent set of metrics to quantify similarity, disclosure risk, and practical usefulness, enabling transparent and balanced assessment of synthetic data quality. We apply the framework to benchmark twelve representative generation methods, spanning conventional statistical models, deep generative networks, and privacy-enhanced variants. Results show that synthetic data do not inherently guarantee privacy and there is no "one-size-fits-all" model, the trade-off between privacy and representativeness/utility is obvious. Conditional Tabular generative adversarial network (CTGAN) provide the most balanced trade-off and is suggested for practical applications. The RPU framework provides a systematic and reproducible basis for researchers and practitioners to compare synthetic data generation techniques and select appropriate methods in public transport applications.


Transformers can do Bayesian Clustering

arXiv.org Artificial Intelligence

Bayesian clustering accounts for uncertainty but is computationally demanding at scale. Furthermore, real-world datasets often contain missing values, and simple imputation ignores the associated uncertainty, resulting in suboptimal results. We present Cluster-PFN, a Transformer-based model that extends Prior-Data Fitted Networks (PFNs) to unsupervised Bayesian clustering. Trained entirely on synthetic datasets generated from a finite Gaussian Mixture Model (GMM) prior, Cluster-PFN learns to estimate the posterior distribution over both the number of clusters and the cluster assignments. Our method estimates the number of clusters more accurately than handcrafted model selection procedures such as AIC, BIC and Variational Inference (VI), and achieves clustering quality competitive with VI while being orders of magnitude faster. Cluster-PFN can be trained on complex priors that include missing data, outperforming imputation-based baselines on real-world genomic datasets, at high missingness. These results show that the Cluster-PFN can provide scalable and flexible Bayesian clustering.


Noise is All You Need: Solving Linear Inverse Problems by Noise Combination Sampling with Diffusion Models

arXiv.org Artificial Intelligence

Pretrained diffusion models have demonstrated strong capabilities in zero-shot inverse problem solving by incorporating observation information into the generation process of the diffusion models. However, this presents an inherent dilemma: excessive integration can disrupt the generative process, while insufficient integration fails to emphasize the constraints imposed by the inverse problem. To address this, we propose \emph{Noise Combination Sampling}, a novel method that synthesizes an optimal noise vector from a noise subspace to approximate the measurement score, replacing the noise term in the standard Denoising Diffusion Probabilistic Models process. This enables conditional information to be naturally embedded into the generation process without reliance on step-wise hyperparameter tuning. Our method can be applied to a wide range of inverse problem solvers, including image compression, and, particularly when the number of generation steps $T$ is small, achieves superior performance with negligible computational overhead, significantly improving robustness and stability.


Central Bank Digital Currency, Flight-to-Quality, and Bank-Runs in an Agent-Based Model

arXiv.org Artificial Intelligence

We analyse financial stability and welfare impacts associated with the introduction of a Central Bank Digital Currency (CBDC) in a macroeconomic agent-based model. The model considers firms, banks, and households interacting on labour, goods, credit, and interbank markets. Households move their liquidity from deposits to CBDC based on the perceived riskiness of their banks. We find that the introduction of CBDC exacerbates bank-runs and may lead to financial instability phenomena. The effect can be changed by introducing a limit on CBDC holdings. The adoption of CBDC has little effect on macroeconomic variables but the interest rate on loans to firms goes up and credit goes down in a limited way. CBDC leads to a redistribution of wealth from firms and banks to households with a higher bank default rate. CBDC may have negative welfare effects, but a bound on holding enables a welfare improvement.


Evaluating the Use of Large Language Models as Synthetic Social Agents in Social Science Research

arXiv.org Artificial Intelligence

Large Language Models (LLMs) are being increasingly used as synthetic agents in social science, in applications ranging from augmenting survey responses to powering multi-agent simulations. This paper outlines cautions that should be taken when interpreting LLM outputs and proposes a pragmatic reframing for the social sciences in which LLMs are used as high-capacity pattern matchers for quasi-predictive interpolation under explicit scope conditions and not as substitutes for probabilistic inference. Practical guardrails such as independent draws, preregistered human baselines, reliability-aware validation, and subgroup calibration, are introduced so that researchers may engage in useful prototyping and forecasting while avoiding category errors.


Reproducible workflow for online AI in digital health

arXiv.org Artificial Intelligence

Online artificial intelligence (AI) algorithms are an important component of digital health interventions. These online algorithms are designed to continually learn and improve their performance as streaming data is collected on individuals. Deploying online AI presents a key challenge: balancing adaptability of online AI with reproducibility. Online AI in digital interventions is a rapidly evolving area, driven by advances in algorithms, sensors, software, and devices. Digital health intervention development and deployment is a continuous process, where implementation - including the AI decision-making algorithm - is interspersed with cycles of re-development and optimization. Each deployment informs the next, making iterative deployment a defining characteristic of this field. This iterative nature underscores the importance of reproducibility: data collected across deployments must be accurately stored to have scientific utility, algorithm behavior must be auditable, and results must be comparable over time to facilitate scientific discovery and trustworthy refinement. This paper proposes a reproducible scientific workflow for developing, deploying, and analyzing online AI decision-making algorithms in digital health interventions. Grounded in practical experience from multiple real-world deployments, this workflow addresses key challenges to reproducibility across all phases of the online AI algorithm development life-cycle.


Testing-driven Variable Selection in Bayesian Modal Regression

arXiv.org Machine Learning

We propose a Bayesian variable selection method in the framework of modal regression for heavy-tailed responses. An efficient expectation-maximization algorithm is employed to expedite parameter estimation. A test statistic is constructed to exploit the shape of the model error distribution to effectively separate informative covariates from unimportant ones. Through simulations, we demonstrate and evaluate the efficacy of the proposed method in identifying important covariates in the presence of non-Gaussian model errors. Finally, we apply the proposed method to analyze two datasets arising in genetic and epigenetic studies.


Causal Effect Estimation with TMLE: Handling Missing Data and Near-Violations of Positivity

arXiv.org Machine Learning

We evaluate the performance of targeted maximum likelihood estimation (TMLE) for estimating the average treatment effect in missing data scenarios under varying levels of positivity violations. We employ model- and design-based simulations, with the latter using undersmoothed highly adaptive lasso on the 'WASH Benefits Bangladesh' dataset to mimic real-world complexities. Five missingness-directed acyclic graphs are considered, capturing common missing data mechanisms in epidemiological research, particularly in one-point exposure studies. These mechanisms include also not-at-random missingness in the exposure, outcome, and confounders. We compare eight missing data methods in conjunction with TMLE as the analysis method, distinguishing between non-multiple imputation (non-MI) and multiple imputation (MI) approaches. The MI approaches use both parametric and machine-learning models. Results show that non-MI methods, particularly complete cases with TMLE incorporating an outcome-missingness model, exhibit lower bias compared to all other evaluated missing data methods and greater robustness against positivity violations across. In Comparison MI with classification and regression trees (CART) achieve lower root mean squared error, while often maintaining nominal coverage rates. Our findings highlight the trade-offs between bias and coverage, and we recommend using complete cases with TMLE incorporating an outcome-missingness model for bias reduction and MI CART when accurate confidence intervals are the priority.


Semi-Supervised Learning under General Causal Models

arXiv.org Machine Learning

Semi-supervised learning (SSL) aims to train a machine learning model using both labelled and unlabelled data. While the unlabelled data have been used in various ways to improve the prediction accuracy, the reason why unlabelled data could help is not fully understood. One interesting and promising direction is to understand SSL from a causal perspective. In light of the independent causal mechanisms principle, the unlabelled data can be helpful when the label causes the features but not vice versa. However, the causal relations between the features and labels can be complex in real world applications. In this paper, we propose a SSL framework that works with general causal models in which the variables have flexible causal relations. More specifically, we explore the causal graph structures and design corresponding causal generative models which can be learned with the help of unlabelled data. The learned causal generative model can generate synthetic labelled data for training a more accurate predictive model. We verify the effectiveness of our proposed method by empirical studies on both simulated and real data.


Sublinear Sketches for Approximate Nearest Neighbor and Kernel Density Estimation

arXiv.org Machine Learning

Approximate Nearest Neighbor (ANN) search and Approximate Kernel Density Estimation (A-KDE) are fundamental problems at the core of modern machine learning, with broad applications in data analysis, information systems, and large-scale decision making. In massive and dynamic data streams, a central challenge is to design compact sketches that preserve essential structural properties of the data while enabling efficient queries. In this work, we develop new sketching algorithms that achieve sublinear space and query time guarantees for both ANN and A-KDE for a dynamic stream of data. For ANN in the streaming model, under natural assumptions, we design a sublinear sketch that requires only $\mathcal{O}(n^{1+ρ-η})$ memory by storing only a sublinear ($n^{-η}$) fraction of the total inputs, where $ρ$ is a parameter of the LSH family, and $0<η<1$. Our method supports sublinear query time, batch queries, and extends to the more general Turnstile model. While earlier works have focused on Exact NN, this is the first result on ANN that achieves near-optimal trade-offs between memory size and approximation error. Next, for A-KDE in the Sliding-Window model, we propose a sketch of size $\mathcal{O}\left(RW \cdot \frac{1}{\sqrt{1+ε} - 1} \log^2 N\right)$, where $R$ is the number of sketch rows, $W$ is the LSH range, $N$ is the window size, and $ε$ is the approximation error. This, to the best of our knowledge, is the first theoretical sublinear sketch guarantee for A-KDE in the Sliding-Window model. We complement our theoretical results with experiments on various real-world datasets, which show that the proposed sketches are lightweight and achieve consistently low error in practice.