MLApr 9, 2023
PriorCVAE: scalable MCMC parameter inference with Bayesian deep generative modellingElizaveta Semenova, Prakhar Verma, Max Cairney-Leeming et al. · oxford
Recent advances have shown that GP priors, or their finite realisations, can be encoded using deep generative models such as variational autoencoders (VAEs). These learned generators can serve as drop-in replacements for the original priors during MCMC inference. While this approach enables efficient inference, it loses information about the hyperparameters of the original models, and consequently makes inference over hyperparameters impossible and the learned priors indistinct. To overcome this limitation, we condition the VAE on stochastic process hyperparameters. This allows the joint encoding of hyperparameters with GP realizations and their subsequent estimation during inference. Further, we demonstrate that our proposed method, PriorCVAE, is agnostic to the nature of the models which it approximates, and can be used, for instance, to encode solutions of ODEs. It provides a practical tool for approximate inference and shows potential in real-life spatial and spatiotemporal applications.
IRMar 20Code
AgentSLR: Automating Systematic Literature Reviews in Epidemiology with Agentic AIShreyansh Padarha, Ryan Othniel Kearns, Tristan Naidoo et al.
Systematic literature reviews are essential for synthesizing scientific evidence but are costly, difficult to scale and time-intensive, creating bottlenecks for evidence-based policy. We study whether large language models can automate the complete systematic review workflow, from article retrieval, article screening, data extraction to report synthesis. Applied to epidemiological reviews of nine WHO-designated priority pathogens and validated against expert-curated ground truth, our open-source agentic pipeline (AgentSLR) achieves performance comparable to human researchers while reducing review time from approximately 7 weeks to 20 hours (a 58x speed-up). Our comparison of five frontier models reveals that performance on SLR is driven less by model size or inference cost than by each model's distinctive capabilities. Through human-in-the-loop validation, we identify key failure modes. Our results demonstrate that agentic AI can substantially accelerate scientific evidence synthesis in specialised domains.
MLJan 5
From Mice to Trains: Amortized Bayesian Inference on Graph DataSvenja Jedhoff, Elizaveta Semenova, Aura Raulo et al.
Graphs arise across diverse domains, from biology and chemistry to social and information networks, as well as in transportation and logistics. Inference on graph-structured data requires methods that are permutation-invariant, scalable across varying sizes and sparsities, and capable of capturing complex long-range dependencies, making posterior estimation on graph parameters particularly challenging. Amortized Bayesian Inference (ABI) is a simulation-based framework that employs generative neural networks to enable fast, likelihood-free posterior inference. We adapt ABI to graph data to address these challenges to perform inference on node-, edge-, and graph-level parameters. Our approach couples permutation-invariant graph encoders with flexible neural posterior estimators in a two-module pipeline: a summary network maps attributed graphs to fixed-length representations, and an inference network approximates the posterior over parameters. In this setting, several neural architectures can serve as the summary network. In this work we evaluate multiple architectures and assess their performance on controlled synthetic settings and two real-world domains - biology and logistics - in terms of recovery and calibration.
CYJun 13, 2024Code
The World Wide recipe: A community-centred framework for fine-grained data collection and regional bias operationalisationJabez Magomere, Shu Ishida, Tejumade Afonja et al.
We introduce the World Wide recipe, which sets forth a framework for culturally aware and participatory data collection, and the resultant regionally diverse World Wide Dishes evaluation dataset. We also analyse bias operationalisation to highlight how current systems underperform across several dimensions: (in-)accuracy, (mis-)representation, and cultural (in-)sensitivity, with evidence from qualitative community-based observations and quantitative automated tools. We find that these T2I models generally do not produce quality outputs of dishes specific to various regions. This is true even for the US, which is typically considered more well-resourced in training data -- although the generation of US dishes does outperform that of the investigated African countries. The models demonstrate the propensity to produce inaccurate and culturally misrepresentative, flattening, and insensitive outputs. These representational biases have the potential to further reinforce stereotypes and disproportionately contribute to erasure based on region. The dataset and code are available at https://github.com/oxai/world-wide-dishes.
LGApr 22
Tokenised Flow Matching for Hierarchical Simulation Based InferenceGiovanni Charles, Cosmo Santoni, Seth Flaxman et al.
The cost of simulator evaluations is a key practical bottleneck for Simulation Based Inference (SBI). In hierarchical settings with shared global parameters and exchangeable site-level parameters and observations, this structure can be exploited to improve simulation efficiency. Existing hierarchical SBI approaches factorise the posterior yet still simulate across multiple sites per training sample; We instead explore likelihood factorisation (LF) to train from single-site simulations. In LF sampling we learn a per-site neural surrogate of the simulator and then assemble synthetic multi-site observations to amortise inference for the full hierarchical posterior. Building on this, we propose Tokenised Flow Matching for Posterior Estimation (TFMPE), a tokenised flow matching approach that supports function-valued observations through likelihood factorisation. To enable systematic evaluation, we introduce a benchmark for hierarchical SBI. We validate TFMPE on this benchmark and on realistic infectious disease and computational fluid dynamics models, finding well-calibrated posteriors while reducing computational cost.
LGNov 19, 2024
Transformer Neural Processes - Kernel RegressionDaniel Jenson, Jhonathan Navott, Mengyan Zhang et al. · oxford
Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. Originally developed as a scalable alternative to Gaussian Processes (GPs), which are limited by $O(n^3)$ runtime complexity, the most accurate modern NPs can often rival GPs but still suffer from an $O(n^2)$ bottleneck due to their attention mechanism. We introduce the Transformer Neural Process - Kernel Regression (TNP-KR), a scalable NP featuring: (1) a Kernel Regression Block (KRBlock), a simple, extensible, and parameter efficient transformer block with complexity $O(n_c^2 + n_c n_t)$, where $n_c$ and $n_t$ are the number of context and test points, respectively; (2) a kernel-based attention bias; and (3) two novel attention mechanisms: scan attention (SA), a memory-efficient scan-based attention that when paired with a kernel-based bias can make TNP-KR translation invariant, and deep kernel attention (DKA), a Performer-style attention that implicitly incoporates a distance bias and further reduces complexity to $O(n_c)$. These enhancements enable both TNP-KR variants to perform inference with 100K context points on over 1M test points in under a minute on a single 24GB GPU. On benchmarks spanning meta regression, Bayesian optimization, image completion, and epidemiology, TNP-KR with DKA outperforms its Performer counterpart on nearly every benchmark, while TNP-KR with SA achieves state-of-the-art results.
LGJun 10, 2025
Scalable Spatiotemporal Inference with Biased Scan Attention Transformer Neural ProcessesDaniel Jenson, Jhonathan Navott, Piotr Grynfelder et al. · oxford
Neural Processes (NPs) are a rapidly evolving class of models designed to directly model the posterior predictive distribution of stochastic processes. While early architectures were developed primarily as a scalable alternative to Gaussian Processes (GPs), modern NPs tackle far more complex and data hungry applications spanning geology, epidemiology, climate, and robotics. These applications have placed increasing pressure on the scalability of these models, with many architectures compromising accuracy for scalability. In this paper, we demonstrate that this tradeoff is often unnecessary, particularly when modeling fully or partially translation invariant processes. We propose a versatile new architecture, the Biased Scan Attention Transformer Neural Process (BSA-TNP), which introduces Kernel Regression Blocks (KRBlocks), group-invariant attention biases, and memory-efficient Biased Scan Attention (BSA). BSA-TNP is able to: (1) match or exceed the accuracy of the best models while often training in a fraction of the time, (2) exhibit translation invariance, enabling learning at multiple resolutions simultaneously, (3) transparently model processes that evolve in both space and time, (4) support high dimensional fixed effects, and (5) scale gracefully -- running inference with over 1M test points with 100K context points in under a minute on a single 24GB GPU.
MLMar 27, 2025
DeepRV: Accelerating spatiotemporal inference with pre-trained neural priorsJhonathan Navott, Daniel Jenson, Seth Flaxman et al. · oxford
Gaussian Processes (GPs) provide a flexible and statistically principled foundation for modelling spatiotemporal phenomena, but their $O(N^3)$ scaling makes them intractable for large datasets. Approximate methods such as variational inference (VI), inducing points (sparse GPs), low-rank factorizations (RFFs), local factorizations and approximations (INLA), improve scalability but trade off accuracy or flexibility. We introduce DeepRV, a neural-network surrogate that closely matches full GP accuracy including hyperparameter estimates, while reducing computational complexity to $O(N^2)$, increasing scalability and inference speed. DeepRV serves as a drop-in replacement for GP prior realisations in e.g. MCMC-based probabilistic programming pipelines, preserving full model flexibility. Across simulated benchmarks, non-separable spatiotemporal GPs, and a real-world application to education deprivation in London (n = 4,994 locations), DeepRV achieves the highest fidelity to exact GPs while substantially accelerating inference. Code is provided in the accompanying ZIP archive, with all experiments run on a single consumer-grade GPU to ensure accessibility for practitioners.
COFeb 10, 2025
SMRS: advocating a unified reporting standard for surrogate models in the artificial intelligence eraElizaveta Semenova, Alisa Sheinkman, Timothy James Hitge et al.
Surrogate models are widely used to approximate complex systems across science and engineering to reduce computational costs. Despite their widespread adoption, the field lacks standardisation across key stages of the modelling pipeline, including data sampling, model selection, evaluation, and downstream analysis. This fragmentation limits reproducibility and cross-domain utility -- a challenge further exacerbated by the rapid proliferation of AI-driven surrogate models. We argue for the urgent need to establish a structured reporting standard, the Surrogate Model Reporting Standard (SMRS), that systematically captures essential design and evaluation choices while remaining agnostic to implementation specifics. By promoting a standardised yet flexible framework, we aim to improve the reliability of surrogate modelling, foster interdisciplinary knowledge transfer, and, as a result, accelerate scientific progress in the AI era.
LGMay 31, 2023
Deep learning and MCMC with aggVAE for shifting administrative boundaries: mapping malaria prevalence in KenyaElizaveta Semenova, Swapnil Mishra, Samir Bhatt et al.
Model-based disease mapping remains a fundamental policy-informing tool in the fields of public health and disease surveillance. Hierarchical Bayesian models have emerged as the state-of-the-art approach for disease mapping since they are able to both capture structure in the data and robustly characterise uncertainty. When working with areal data, e.g.~aggregates at the administrative unit level such as district or province, current models rely on the adjacency structure of areal units to account for spatial correlations and perform shrinkage. The goal of disease surveillance systems is to track disease outcomes over time. This task is especially challenging in crisis situations which often lead to redrawn administrative boundaries, meaning that data collected before and after the crisis are no longer directly comparable. Moreover, the adjacency-based approach ignores the continuous nature of spatial processes and cannot solve the change-of-support problem, i.e.~when estimates are required to be produced at different administrative levels or levels of aggregation. We present a novel, practical, and easy to implement solution to solve these problems relying on a methodology combining deep generative modelling and fully Bayesian inference: we build on the recently proposed PriorVAE method able to encode spatial priors over small areas with variational autoencoders by encoding aggregates over administrative units. We map malaria prevalence in Kenya, a country in which administrative boundaries changed in 2010.
LGOct 20, 2021
PriorVAE: Encoding spatial priors with VAEs for small-area estimationElizaveta Semenova, Yidan Xu, Adam Howes et al.
Gaussian processes (GPs), implemented through multivariate Gaussian distributions for a finite collection of data, are the most popular approach in small-area spatial statistical modelling. In this context they are used to encode correlation structures over space and can generalise well in interpolation tasks. Despite their flexibility, off-the-shelf GPs present serious computational challenges which limit their scalability and practical usefulness in applied settings. Here, we propose a novel, deep generative modelling approach to tackle this challenge, termed PriorVAE: for a particular spatial setting, we approximate a class of GP priors through prior sampling and subsequent fitting of a variational autoencoder (VAE). Given a trained VAE, the resultant decoder allows spatial inference to become incredibly efficient due to the low dimensional, independently distributed latent Gaussian space representation of the VAE. Once trained, inference using the VAE decoder replaces the GP within a Bayesian sampling framework. This approach provides tractable and easy-to-implement means of approximately encoding spatial priors and facilitates efficient statistical inference. We demonstrate the utility of our VAE two stage approach on Bayesian, small-area estimation tasks.