Individual treatment effect (ITE) estimation is to evaluate the causal effects of treatment strategies on some important outcomes, which is a crucial problem in healthcare. Most existing ITE estimation methods are designed for centralized settings. However, in real-world clinical scenarios, the raw data are usually not shareable among hospitals due to the potential privacy and security risks, which makes the methods not applicable. In this work, we study the ITE estimation task in a federated setting, which allows us to harness the decentralized data from multiple hospitals. Due to the unavoidable confounding bias in the collected data, a model directly learned from it would be inaccurate. One well-known solution is Inverse Probability Treatment Weighting (IPTW), which uses the conditional probability of treatment given the covariates to re-weight each training example. Applying IPTW in a federated setting, however, is non-trivial. We found that even with a well-estimated conditional probability, the local model training step using each hospital's data alone would still suffer from confounding bias. To address this, we propose FED-IPTW, a novel algorithm to extend IPTW into a federated setting that enforces both global (over all the data) and local (within each hospital) decorrelation between covariates and treatments. We validated our approach on the task of comparing the treatment effects of mechanical ventilation on improving survival probability for patients with breadth difficulties in the intensive care unit (ICU). We conducted experiments on both synthetic and real-world eICU datasets and the results show that FED-IPTW outperform state-of-the-art methods on all the metrics on factual prediction and ITE estimation tasks, paving the way for personalized treatment strategy design in mechanical ventilation usage.

Preprint submitted to Elsevier March 10, 2025 algorithms to solve such inverse-type problems advance different fields including inferring neural circuit dynamics from spiking data [42] in neuroscience, modeling and predicting complex weather patterns from historical data [9] in climate science, uncovering disease transmission dynamics from infection case counts over time [46] in epidemiology, and deducing reaction rates from experimental concentration-time profiles in reaction kinetics in biochemistry [30]. However, such inverse-type problems pose substantial mathematical and computational challenges, particularly when data are limited and noisy, motivating ongoing research into novel algorithms and theoretical frameworks to improve models' reconstruction accuracy and efficiency. In this paper, we study the inverse problem of inferring the distribution of model parameters for several dynamical systems including ordinary differential equations (ODEs), partial differential equations (PDEs), and stochastic differential equations (SDEs) from time-series data or spatiotemporal data. Existing methods for such problems can be broadly categorized into traditional statistical approaches and modern data-driven techniques. Traditional statistical methods often involve parameter estimation frameworks. For example, linear and nonlinear regression methods play a role in simpler systems where the functional form of the model is partially known [13]. Furthermore, maximum likelihood estimation and Bayesian inference methods [16, 33] are often adopted. Maximum likelihood estimation optimizes the likelihood of model parameter values in a proposed model from observed data, while Bayesian methods incorporate prior information and compute posterior distributions. These approaches are widely used in applications such as reaction network reconstruction and epidemiological modeling.

Large language models (LLMs) exhibit the ability to generalize given few-shot examples in their input prompt, an emergent capability known as in-context learning (ICL). We investigate whether LLMs utilize ICL to perform structured reasoning in ways that are consistent with a Bayesian framework or rely on pattern matching. Using a controlled setting of biased coin flips, we find that: (1) LLMs often possess biased priors, causing initial divergence in zero-shot settings, (2) in-context evidence outweighs explicit bias instructions, (3) LLMs broadly follow Bayesian posterior updates, with deviations primarily due to miscalibrated priors rather than flawed updates, and (4) attention magnitude has negligible effect on Bayesian inference. With sufficient demonstrations of biased coin flips via ICL, LLMs update their priors in a Bayesian manner.

Machine learning systems struggle with robustness, under subpopulation shifts. This problem becomes especially pronounced in scenarios where only a subset of attribute combinations is observed during training -a severe form of subpopulation shift, referred as compositional shift. To address this problem, we ask the following question: Can we improve the robustness by training on synthetic data, spanning all possible attribute combinations? We first show that training of conditional diffusion models on limited data lead to incorrect underlying distribution. Therefore, synthetic data sampled from such models will result in unfaithful samples and does not lead to improve performance of downstream machine learning systems. To address this problem, we propose CoInD to reflect the compositional nature of the world by enforcing conditional independence through minimizing Fisher's divergence between joint and marginal distributions. We demonstrate that synthetic data generated by CoInD is faithful and this translates to state-of-the-art worst-group accuracy on compositional shift tasks on CelebA.

Concept-based models are an emerging paradigm in deep learning that constrains the inference process to operate through human-interpretable concepts, facilitating explainability and human interaction. However, these architectures, on par with popular opaque neural models, fail to account for the true causal mechanisms underlying the target phenomena represented in the data. This hampers their ability to support causal reasoning tasks, limits out-of-distribution generalization, and hinders the implementation of fairness constraints. To overcome these issues, we propose \emph{Causally reliable Concept Bottleneck Models} (C$^2$BMs), a class of concept-based architectures that enforce reasoning through a bottleneck of concepts structured according to a model of the real-world causal mechanisms. We also introduce a pipeline to automatically learn this structure from observational data and \emph{unstructured} background knowledge (e.g., scientific literature). Experimental evidence suggest that C$^2$BM are more interpretable, causally reliable, and improve responsiveness to interventions w.r.t. standard opaque and concept-based models, while maintaining their accuracy.

Filtering-based probabilistic numerical solvers for ordinary differential equations (ODEs), also known as ODE filters, have been established as efficient methods for quantifying numerical uncertainty in the solution of ODEs. In practical applications, however, the underlying dynamical system often contains uncertain parameters, requiring the propagation of this model uncertainty to the ODE solution. In this paper, we demonstrate that ODE filters, despite their probabilistic nature, do not automatically solve this uncertainty propagation problem. To address this limitation, we present a novel approach that combines ODE filters with numerical quadrature to properly marginalize over uncertain parameters, while accounting for both parameter uncertainty and numerical solver uncertainty. Experiments across multiple dynamical systems demonstrate that the resulting uncertainty estimates closely match reference solutions. Notably, we show how the numerical uncertainty from the ODE solver can help prevent overconfidence in the propagated uncertainty estimates, especially when using larger step sizes. Our results illustrate that probabilistic numerical methods can effectively quantify both numerical and parametric uncertainty in dynamical systems.

We introduce Dirichlet Process Posterior Sampling (DPPS), a Bayesian non-parametric algorithm for multi-arm bandits based on Dirichlet Process (DP) priors. Like Thompson-sampling, DPPS is a probability-matching algorithm, i.e., it plays an arm based on its posterior-probability of being optimal. Instead of assuming a parametric class for the reward generating distribution of each arm, and then putting a prior on the parameters, in DPPS the reward generating distribution is directly modeled using DP priors. DPPS provides a principled approach to incorporate prior belief about the bandit environment, and in the noninformative limit of the DP posteriors (i.e. Bayesian Bootstrap), we recover Non Parametric Thompson Sampling (NPTS), a popular non-parametric bandit algorithm, as a special case of DPPS. We employ stick-breaking representation of the DP priors, and show excellent empirical performance of DPPS in challenging synthetic and real world bandit environments. Finally, using an information-theoretic analysis, we show non-asymptotic optimality of DPPS in the Bayesian regret setup.

Research in adversarial machine learning (AML) has shown that statistical models are vulnerable to maliciously altered data. However, despite advances in Bayesian machine learning models, most AML research remains concentrated on classical techniques. Therefore, we focus on extending the white-box model poisoning paradigm to attack generic Bayesian inference, highlighting its vulnerability in adversarial contexts. A suite of attacks are developed that allow an attacker to steer the Bayesian posterior toward a target distribution through the strategic deletion and replication of true observations, even when only sampling access to the posterior is available. Analytic properties of these algorithms are proven and their performance is empirically examined in both synthetic and real-world scenarios. With relatively little effort, the attacker is able to substantively alter the Bayesian's beliefs and, by accepting more risk, they can mold these beliefs to their will. By carefully constructing the adversarial posterior, surgical poisoning is achieved such that only targeted inferences are corrupted and others are minimally disturbed.

This study leverages spatial machine learning (SML) to enhance the accuracy of Proxy Means Testing (PMT) for poverty targeting in Indonesia. Conventional PMT methodologies are prone to exclusion and inclusion errors due to their inability to account for spatial dependencies and regional heterogeneity. By integrating spatial contiguity matrices, SML models mitigate these limitations, facilitating a more precise identification and comparison of geographical poverty clusters. Utilizing household survey data from the Social Welfare Integrated Data Survey (DTKS) for the periods 2016 to 2020 and 2016 to 2021, this study examines spatial patterns in income distribution and delineates poverty clusters at both provincial and district levels. Empirical findings indicate that the proposed SML approach reduces exclusion errors from 28% to 20% compared to standard machine learning models, underscoring the critical role of spatial analysis in refining machine learning-based poverty targeting. These results highlight the potential of SML to inform the design of more equitable and effective social protection policies, particularly in geographically diverse contexts. Future research can explore the applicability of spatiotemporal models and assess the generalizability of SML approaches across varying socio-economic settings.

Bayesian filtering for high-dimensional nonlinear stochastic dynamical systems is a fundamental yet challenging problem in many fields of science and engineering. Existing methods face significant obstacles: Gaussian-based filters struggle with non-Gaussian distributions, while sequential Monte Carlo methods are computationally intensive and prone to particle degeneracy in high dimensions. Although generative models in machine learning have made significant progress in modeling high-dimensional non-Gaussian distributions, their inefficiency in online updating limits their applicability to filtering problems. To address these challenges, we propose a flow-based Bayesian filter (FBF) that integrates normalizing flows to construct a novel latent linear state-space model with Gaussian filtering distributions. This framework facilitates efficient density estimation and sampling using invertible transformations provided by normalizing flows, and it enables the construction of filters in a data-driven manner, without requiring prior knowledge of system dynamics or observation models. Numerical experiments demonstrate the superior accuracy and efficiency of FBF.