Cryo-electron microscopy (Cryo-EM) enables high-resolution imaging of biomolecules, but structural heterogeneity remains a major challenge in 3D reconstruction. Traditional methods assume a discrete set of conformations, limiting their ability to recover continuous structural variability. In this work, we formulate cryo-EM reconstruction as a stochastic inverse problem (SIP) over probability measures, where the observed images are modeled as the push-forward of an unknown distribution over molecular structures via a random forward operator. We pose the reconstruction problem as the minimization of a variational discrepancy between observed and simulated image distributions, using statistical distances such as the KL divergence and the Maximum Mean Discrepancy. The resulting optimization is performed over the space of probability measures via a Wasserstein gradient flow, which we numerically solve using particles to represent and evolve conformational ensembles. We validate our approach using synthetic examples, including a realistic protein model, which demonstrates its ability to recover continuous distributions over structural states. We analyze the connection between our formulation and Maximum A Posteriori (MAP) approaches, which can be interpreted as instances of the discretize-then-optimize (DTO) framework. We further provide a consistency analysis, establishing conditions under which DTO methods, such as MAP estimation, converge to the solution of the underlying infinite-dimensional continuous problem. Beyond cryo-EM, the framework provides a general methodology for solving SIPs involving random forward operators.

In-context operator networks (ICON) are a class of operator learning methods based on the novel architectures of foundation models. Trained on a diverse set of datasets of initial and boundary conditions paired with corresponding solutions to ordinary and partial differential equations (ODEs and PDEs), ICON learns to map example condition-solution pairs of a given differential equation to an approximation of its solution operator. Here, we present a probabilistic framework that reveals ICON as implicitly performing Bayesian inference, where it computes the mean of the posterior predictive distribution over solution operators conditioned on the provided context, i.e., example condition-solution pairs. The formalism of random differential equations provides the probabilistic framework for describing the tasks ICON accomplishes while also providing a basis for understanding other multi-operator learning methods. This probabilistic perspective provides a basis for extending ICON to \emph{generative} settings, where one can sample from the posterior predictive distribution of solution operators. The generative formulation of ICON (GenICON) captures the underlying uncertainty in the solution operator, which enables principled uncertainty quantification in the solution predictions in operator learning.

--Nonnegative matrix factorization (NMF) is a known unsupervised data-reduction method. The principle of the common cause (PCC) is a basic methodological approach in probabilistic causality, which seeks an independent mixture model for the joint probability of two dependent random variables. It turns out that these two concepts are closely related. This relationship is explored reciprocally for several datasets of gray-scale images, which are conveniently mapped into probability models. On one hand, PCC provides a predictability tool that leads to a robust estimation of the effective rank of NMF . Unlike other estimates (e.g., those based on the Bayesian Information Criteria), our estimate of the rank is stable against weak noise. We show that NMF implemented around this rank produces features (basis images) that are also stable against noise and against seeds of local optimization, thereby effectively resolving the NMF nonidentifiability problem. On the other hand, NMF provides an interesting possibility of implementing PCC in an approximate way, where larger and positively correlated joint probabilities tend to be explained better via the independent mixture model. We work out a clustering method, where data points with the same common cause are grouped into the same cluster . We also show how NMF can be employed for data denoising. Nonnegative matrix factorization (NMF) was proposed and developed in data science [1]-[3].

Abstract--As long-endurance and seafloor-resident AUVs become more capable, there is an increasing need for extended, real-time interpretation of seafloor imagery to enable adaptive missions and optimise communication efficiency. Although offline image analysis methods are well established, they rely on access to complete datasets and human-labelled examples to manage the strong influence of environmental and operational conditions on seafloor image appearance--requirements that cannot be met in real-time settings. T o address this, we introduce an online clustering framework (OCF) capable of interpreting seafloor imagery without supervision, that is designed to operate in real-time on continuous data streams in a scalable, adaptive, and self-consistent manner . The method enables the efficient review and consolidation of common patterns across the entire data history in constant time by identifying and maintaining a set of representative samples that capture the evolving feature distribution, supporting dynamic cluster merging and splitting without reprocessing the full image history. We evaluate the framework on three diverse seafloor image datasets, analysing the impact of different representative sampling strategies on both clustering accuracy and computational cost. The OCF achieves the highest average F1 score of 0.68 across the three datasets among all comparative online clustering approaches, with a standard deviation of 3% across three distinct survey trajectories, demonstrating its superior clustering capability and robustness to trajectory variation. In addition, it maintains consistently lower and bounded computational time as the data volume increases. Compared to offline clustering methods, it strikes a favourable balance between accuracy and efficiency. These properties are beneficial for generating survey data summaries and supporting informative path planning in long-term, persistent autonomous marine exploration.

While queueing network models are powerful tools for analyzing service systems, they traditionally require substantial human effort and domain expertise to construct. To make this modeling approach more scalable and accessible, we propose a data-driven framework for queueing network modeling and simulation based on autoregressive sequence models trained on event-stream data. Instead of explicitly specifying arrival processes, service mechanisms, or routing logic, our approach learns the conditional distributions of event types and event times, recasting the modeling task as a problem of sequence distribution learning. We show that Transformer-style architectures can effectively parameterize these distributions, enabling automated construction of high-fidelity simulators. As a proof of concept, we validate our framework on event tables generated from diverse queueing networks, showcasing its utility in simulation, uncertainty quantification, and counterfactual evaluation. Leveraging advances in artificial intelligence and the growing availability of data, our framework takes a step toward more automated, data-driven modeling pipelines to support broader adoption of queueing network models across service domains.

Aerial remote sensing using multispectral and RGB imagers has provided a critical impetus to precision agriculture. Analysis of the hyperspectral images with limited or no labels is challenging. This paper focuses on self-supervised learning to create neural network embeddings reflecting vegetation properties of trees from aerial hyperspectral images of crop fields. Experimental results demonstrate that a constructed tree representation, using a vegetation property-related embedding space, performs better in downstream machine learning tasks compared to the direct use of hyperspectral vegetation properties as tree representations.

A Membership Inference Attack (MIA) assesses how much a trained machine learning model reveals about its training data by determining whether specific query instances were included in the dataset. We classify existing MIAs into adaptive or non-adaptive, depending on whether the adversary is allowed to train shadow models on membership queries. In the adaptive setting, where the adversary can train shadow models after accessing query instances, we highlight the importance of exploiting membership dependencies between instances and propose an attack-agnostic framework called Cascading Membership Inference Attack (CMIA), which incorporates membership dependencies via conditional shadow training to boost membership inference performance. In the non-adaptive setting, where the adversary is restricted to training shadow models before obtaining membership queries, we introduce Proxy Membership Inference Attack (PMIA). PMIA employs a proxy selection strategy that identifies samples with similar behaviors to the query instance and uses their behaviors in shadow models to perform a membership posterior odds test for membership inference. We provide theoretical analyses for both attacks, and extensive experimental results demonstrate that CMIA and PMIA substantially outperform existing MIAs in both settings, particularly in the low false-positive regime, which is crucial for evaluating privacy risks.

Detecting whether an LLM hallucinates is an important research challenge. One promising way of doing so is to estimate the semantic entropy (Farquhar et al., 2024) of the distribution of generated sequences. We propose a new algorithm for doing that, with two main advantages. First, due to us taking the Bayesian approach, we achieve a much better quality of semantic entropy estimates for a given budget of samples from the LLM. Second, we are able to tune the number of samples adaptively so that `harder' contexts receive more samples. We demonstrate empirically that our approach systematically beats the baselines, requiring only 53% of samples used by Farquhar et al. (2024) to achieve the same quality of hallucination detection as measured by AUROC. Moreover, quite counterintuitively, our estimator is useful even with just one sample from the LLM.

Large Language Models are increasingly used to simulate human opinion dynamics, yet the effect of genuine interaction is often obscured by systematic biases. We present a Bayesian framework to disentangle and quantify three such biases: (i) a topic bias toward prior opinions in the training data; (ii) an agreement bias favoring agreement irrespective of the question; and (iii) an anchoring bias toward the initiating agent's stance. Applying this framework to multi-step dialogues reveals that opinion trajectories tend to quickly converge to a shared attractor, with the influence of the interaction fading over time, and the impact of biases differing between LLMs. In addition, we fine-tune an LLM on different sets of strongly opinionated statements (incl. misinformation) and demonstrate that the opinion attractor shifts correspondingly. Exposing stark differences between LLMs and providing quantitative tools to compare them to human subjects in the future, our approach highlights both chances and pitfalls in using LLMs as proxies for human behavior.

Transductive conformal prediction addresses the simultaneous prediction for multiple data points. Given a desired confidence level, the objective is to construct a prediction set that includes the true outcomes with the prescribed confidence. We demonstrate a fundamental trade-off between confidence and efficiency in transductive methods, where efficiency is measured by the size of the prediction sets. Specifically, we derive a strict finite-sample bound showing that any non-trivial confidence level leads to exponential growth in prediction set size for data with inherent uncertainty. The exponent scales linearly with the number of samples and is proportional to the conditional entropy of the data. Additionally, the bound includes a second-order term, dispersion, defined as the variance of the log conditional probability distribution. We show that this bound is achievable in an idealized setting. Finally, we examine a special case of transductive prediction where all test data points share the same label. We show that this scenario reduces to the hypothesis testing problem with empirically observed statistics and provide an asymptotically optimal confidence predictor, along with an analysis of the error exponent.