Technology
CRUMB: Efficient Prior Fitted Network Inference via Distributionally Matched Context Batching
Heredge, Jamie, Villani, Mattia J., Deshpande, Pranav, Seshadri, Akshay, Kumar, Niraj
Prior-fitted networks (PFNs) are a promising class of tabular foundation models that perform in-context learning, whereby the entire labelled training set is supplied as context, and predictions for test queries are produced in a single forward pass. However, the quadratically scaling self-attention mechanism in many PFN architectures makes inference prohibitive for very large training datasets. We propose CRUMB (Clustered Retrieval Using Minimised-MMD Batching), a three-stage inference wrapper that (i) clusters the test queries, (ii) selects a small, distributionally matched training subset for each cluster by greedily minimising the maximum mean discrepancy (MMD), and (iii) runs exact PFN inference on each reduced-context batch. CRUMB is architecture-agnostic and requires no retraining. On the 51-dataset TabArena benchmark, evaluated across three PFN architectures (TabPFNv2, TabICLv1, TabICLv2), we show that CRUMB outperforms similar state-of-the-art context selection strategies. We also show that CRUMB is resilient to covariate drift, as the MMD-minimisation step naturally helps align the training context distribution to match the current test batch distributions.
Magnitude-Based Features for Multispecies Spatial Data
Sollberger, Julia, Bull, Joshua, Kaliลกnik, Sara, Stolz, Bernadette
Multispecies spatial data arise in many applications where interactions between different entities are central to system behaviour, including biomedical imaging, geospatial analysis, and species ecology. Despite their importance, relatively few quantitative tools exist to capture such interactions. In this work, we propose magnitude-based features for the analysis of multispecies spatial data. Magnitude is a real-valued invariant of finite metric spaces that can be interpreted as an effective number of points, incorporating both spatial configuration and scale. We develop global and local magnitude feature vectors and demonstrate their utility on synthetic tumour microenvironment data, and in tissue microarray data from human colorectal cancer samples. Locally, the method identifies distinct neighbourhood types and reveals spatial heterogeneity; in the model, this includes radial patterns associated with different qualitative outcomes of the simulations, while in the real-world data it reflects the importance of tertiary lymphoid structure-like interactions between B and T cell populations. Globally, the approach recovers known classifications of long-term simulation outcomes across parameter regimes in synthetic data, and suggests important roles for CD4+ T cells and CD163+ macrophages in distinguishing patients with favourable Crohn's like reactions from unfavourable diffuse immune infiltration. Together, these results suggest that magnitude-based features provide a powerful and flexible tool for the analysis of multispecies spatial data.
Conformal Risk-Averse Decision Making with Action Conditional Guarantee
Zhu, Zihan, Kiyani, Shayan, Pappas, George, Hassani, Hamed
Reliable decision making pipelines powered by machine learning models require uncertainty quantification (UQ) methods that come with explicit safety guarantees. Conformal prediction provides such UQ by wrapping ML predictions into prediction sets, and recent work by Kiyani et al. (2025b) established that these sets can be translated into optimal risk-averse decision policies -- yet only inheriting marginal safety guarantees. We generalize and strengthen their results by (i) introducing action-conditional conformal prediction, which yields safety guarantees conditioned explicitly on each action taken by the decision maker, (ii) showing that action-conditional prediction sets serve as a proxy for the feasible decision space for risk-averse decision makers aiming to optimize action-conditional value-at-risk, and (iii) proposing a principled finite-sample algorithm based on pinball-loss minimization, connecting the framework of Gibbs et al. (2025) to action-conditional guarantees. Experiments on two real-world datasets confirm that our approach significantly improves action-conditional performance over conformal baselines.
Querying Counterfactuals on Tissue Graphs with Supervised Disentanglement
Moeed, Abdul, Schrod, Stefan, Rohbeck, Martin, Bonder, Marc Jan, Lutsik, Pavlo, Stegle, Oliver, Dimitrov, Daniel
Tissue graph counterfactuals ask how a cell's expression would change under altered spatial neighbor contexts. Such queries are central to predicting cell behavior in tissues, but lack a unified definition, with existing methods targeting specific intervention types or treating cells as i.i.d. In this work, we first formalize tissue graph counterfactuals as a class of spatial interventions that either rewire connections between cells (edge perturbation) or modify the expression of their neighbors (node perturbation). We then introduce Cellina, a framework that uses supervised disentanglement to decompose a cell's intrinsic state from its spatial context, using the latter as a conditioning input for counterfactual predictions. Across benchmarks spanning over 2.5 million spatially-resolved cells in colorectal cancer and mouse brain, Cellina outperforms spatially-informed and non-spatial competitors in insilico graph perturbations, disentanglement, and scalability. Additionally, we show that Cellina reveals biologically distinct cancer subdomains in an unsupervised manner and enables targeted neighbor perturbation simulations.
Phase Transitions in Attention: A Bayesian Theory of Copy Head Emergence
Lavie, Itay, Fischer, Kirsten, Lekov, Andrey, Van Maele, Frederic, Ringel, Zohar, Helias, Moritz
Attention is the key mechanism underlying in-context learning in transformers, and attention patterns have been observed empirically to emerge abruptly during training. We present a Bayesian theory of feature learning in attention; we then focus on how the copy subcircuit in the first layer of an induction head is learned by analyzing a single-layer softmax attention network trained on a copy task. We derive a closed-form posterior over the attention matrix and reduce it to a low-dimensional order parameter space. This reduction reveals a phase transition in the amount of training data, which we verify using both Bayesian sampling and standard training with Adam. We contrast our results with linear attention and find that softmax attention exhibits a \emph{first-order phase transition} while in linear attention an initial \emph{second-order phase transition} is followed by a smooth, continuous evolution toward the structured attention pattern (\emph{crossover}). Our work provides a first-principles theoretical account of the abrupt emergence of the copy subcircuit, reminiscent of the one observed in training large language models.
The Power of Test-Time Training for Approximate Sampling
Golowich, Noah, Moitra, Ankur, Rohatgi, Dhruv
Efficiently sampling from a complex probability distribution is a fundamental problem which has become increasingly pertinent in recent years with the rise of generative AI, as sophisticated sampling procedures from LLMs have been proposed to solve challenging reasoning problems. The efficacy of such sampling algorithms is limited, however, by the relationship between the LLM and the particular sampling task at hand, which has motivated the framework of test-time training (TTT). TTT works by updating a model's weights in response to partial generations and reward feedback received at inference time, thus adapting to the particular problem. In this work, we propose a formalization for TTT as the problem of producing a sample from a given probability measure $ฮผ^\star$ belonging to a known class ${F}$ of distributions, given an oracle $\hat ฮผ$ which yields approximate density estimates for $ฮผ^\star$. This is closely related to the problem of reducing sampling to approximate counting studied in seminal works of Jerrum, Valiant & Vazirani (1986) and Jerrum & Sinclair (1989): namely, when ${F}$ is the class of all distributions, it coincides exactly with the aforementioned counting-to-sampling reduction. In this paper, we first show a quadratic lower bound on the query complexity of sampling from $ฮผ^\star$ given query access to $\hat ฮผ$ (for sufficiently large classes ${F}$), thus showing that the random walk approach proposed by Jerrum & Sinclair (1989) and refined by Hayes & Sinclair (2010), is optimal. This answers an open question posed by Hayes & Sinclair. We then show that this lower bound can be circumvented if the size of ${F}$ is bounded appropriately. As we discuss, this latter result can be viewed as an abstraction of TTT, and thus represents a starting point for the development of a principled theoretical framework for TTT.
Intrinsic Riemannian Cross-covariance for Manifold-valued Random Objects
Soto, Carlos, Wang, Cheng, Huang, Yujing, Chen, Xiaoyu
Covariance estimation yields a fundamental second-order statistic underlying representation learning, dimension reduction, and dependence modeling. While covariance has been well understood in Euclidean spaces, it is ill-defined for random objects residing on nonlinear Riemannian manifolds, which increasingly arise in modern machine learning applications involving shapes, symmetric positive definite (SPD) matrices, etc. This paper introduces an intrinsic Riemannian cross-covariance for manifold-valued random objects. Our approach defines covariance and correlation by transporting local variations to a common tangent space via parallel transport, yielding a second-order descriptor that is independent of arbitrary coordinate choices. We establish that the proposed covariance inherits desirable properties of its Euclidean counterparts and characterize its asymptotic behavior. Numerical studies on spheres and SPD manifolds, together with real-data experiments on heart valve shapes in Kendall's shape space, demonstrate the effectiveness of our estimators and verify the stated properties. Our results position the Riemannian covariance as a fundamental tool for second-order learning and analysis in non-Euclidean representation spaces.
Continuous biome representations from Earth observation embeddings
Joseph, Maxwell B., Mendes, Flรกvia De Souza, Nguyen, Dieu My T., Sothe, Camile, Anderson, Christopher B.
Biotic communities vary continuously across space, yet biome maps impose categorical boundaries that compress this variation, particularly at ecotones where transitional communities are ecologically distinct. Could Earth observation (EO) foundation models, which encode spectral, spatial, and temporal information with dense embeddings, convert discrete biome maps into continuous representations that better capture ecological variation? Here, we fit a linear classifier on Clay v1.5 satellite image embeddings to predict biome labels from a categorical map. The softmax output yields a continuous probability vector whose dimensions correspond to named biome classes. We evaluate this approach using six Brazilian biomes, 1.3 million embeddings, and 10,015 withheld forest inventory plots spanning 4,672 plant species. The continuous biome representation outperforms discrete biome labels for predicting species occurrence (mean per-species AUC 0.618 vs. 0.570 across 10 spatial cross-validation folds). Decomposing this gain shows that continuity in the graded probability output, rather than label reassignment, accounts for the improvement; the pattern holds across all distances from biome boundaries. The raw 1024-dimensional embedding remains the strongest predictor we tested (mean AUC 0.646 vs. 0.618), but the continuous representation recovers most of the embedding's gain over discrete labels. This simple approach provides a probabilistic replacement for categorical map labels, preserving their meaning while encoding graded variation that discrete maps suppress.
Tree-Structured Orthonormal Decomposition of the Aitchison Simplex
Yamada, Daisuke, Zhang, Qijun, Pence, Travis, Bendlin, Barbara B., Rey, Federico, Singh, Vikas
Compositional data -- vectors encoding relative proportions -- arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.
Unbiased Derivative Estimation for Stationary Mean of Parameterized Markov chains
Wang, Jeffrey, Rhee, Chang-han
We propose a new approach to unbiased estimation of the gradients of the stationary means associated with parametrized families of Markov chains. Our estimators are particularly efficient when the Markov chains have slow mixing rate. Our approach does not require a specific parametrization except for an oracle to evaluate the transition density and its gradient at a given data point without any additional knowledge about the density function itself. It makes our estimator suitable for parametrizations associated with neural networks. The estimator can potentially achieve large improvement in terms of efficiency. Numerical experiments confirm the good performance predicted by the theory.