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 Bayesian Inference


Conditional Forecasts and Proper Scoring Rules for Reliable and Accurate Performative Predictions

Neural Information Processing Systems

Performative predictions are forecasts which influence the outcomes they aim to predict, undermining the existence of correct forecasts and standard methods of elicitation and estimation. We show that conditioning forecasts on covariates that separate them from the outcome renders the target distribution forecast-invariant, guaranteeing well-posedness of the forecasting problem. However, even under this condition, classical proper scoring rules fail to elicit correct forecasts. We prove a general impossibility result and identify two solutions: (i) in decision-theoretic settings, elicitation of correct and incentive-compatible forecasts is possible if forecasts are separating; (ii) scoring with unbiased estimates of the divergence between the forecast and the induced distribution of the target variable yields correct forecasts. Applying these insights to parameter estimation, conditional forecasts and proper scoring rules enable performatively stable estimation of performatively correct parameters, resolving the issues raised by Perdomo et al. (2020). Our results expose fundamental limits of classical forecast evaluation and offer new tools for reliable and accurate forecasting in performative settings.


Estimating cognitive biases with attention-aware inverse planning

Neural Information Processing Systems

People's goal-directed behaviors are influenced by their cognitive biases, and autonomous systems that interact with people should be aware of this. For example, people's attention to objects in their environment will be biased in a way that systematically affects how they perform everyday tasks such as driving to work. Here, building on recent work in computational cognitive science, we formally articulate the attention-aware inverse planning problem, in which the goal is to estimate a person's attentional biases from their actions. We demonstrate how attention-aware inverse planning systematically differs from standard inverse reinforcement learning and how cognitive biases can be inferred from behavior. Finally, we present an approach to attention-aware inverse planning that combines deep reinforcement learning with computational cognitive modeling. We use this approach to infer the attentional strategies of RL agents in real-life driving scenarios selected from the Waymo Open Dataset, demonstrating the scalability of estimating cognitive biases with attention-aware inverse planning.


1543d6d5cb976e4f9fbfaedf2e257967-Paper-Datasets_and_Benchmarks_Track.pdf

Neural Information Processing Systems

Sample-wise learning curves plot performance versus training set size. They are useful for studying scaling laws and speeding up hyperparameter tuning and model selection. Learning curves are often assumed to be well-behaved: monotone (i.e.


Nonlocal Bayesian Modeling of Continuous Spatio-Temporal Dynamics

arXiv.org Machine Learning

Real-world spatio-temporal forecasting must handle irregular time points, spatially sparse observations, and the need for uncertainty quantification. This setting is often further compounded by nonlocal interactions (long-range spatial coupling). Modeling continuous-space, continuous-time nonlocal dynamics naturally leads to infinite-dimensional integro-differential equations (IDEs), making principled Bayesian inference intractable. We propose the NonLocal Bayesian Spatio-Temporal model (NLBST), a hierarchical Bayesian framework for continuous spatio-temporal fields that learns explicit nonlocal coupling while retaining tractable inference. NLBST represents the latent field via a coordinate-based spatial basis expansion and models the coefficient process with a continuous-time ODE whose learnable linear operator corresponds to a Galerkin reduction of a nonlocal IDE; a Neural ODE residual captures additional nonlinear dynamics. A linear-Gaussian observation model enables Kalman-style sequential updates under missing and irregular observations, while the spatial basis representation enables inductive prediction at unmeasured locations without retraining. Global parameters are learned via variational inference, and uncertainty is handled through a Bayesian hierarchy. Experiments on synthetic and real-world datasets demonstrate strong forecasting and spatial generalization with well-calibrated uncertainty, yielding substantial gains over baselines in strongly nonlocal and partially observed regimes.


A Deep Zero-Inflated Model of North Atlantic Right Whale Presence To Support Blue Economy Management in the U.S. East Coast

arXiv.org Machine Learning

Effective modeling of endangered marine mammal species, such as the North Atlantic Right Whale, is critical for balancing marine conservation with the growing blue economy. Passive acoustic monitoring data collected by autonomous underwater vehicles provide new opportunities for localized marine species detection and oceanographic sensing, but introduce complex statistical challenges such as zero inflation, imperfect detection, and intricate dependence structures. In response, we propose the Deep Zero-Inflated Bernoulli (DeepZIB) model--a deep statistical method which jointly models latent species presence and conditional detection probabilities while learning complex habitat relationships from heterogeneous covariate information. We establish theoretical results on the model's structural properties and conduct simulation experiments to demonstrate its ability to recover underlying parameters and latent presence fields. Application to real-world passive acoustic monitoring data on the North Atlantic Right Whale along the U.S. East Coast demonstrates improved model adequacy and predictive performance in capturing the species' dynamic and spatially varying habitat. A key advantage of DeepZIB is its ability to generate high-resolution, spatially and temporally varying presence maps, providing valuable insights for targeted and risk-aware management of blue economy industries, ranging from offshore and marine energy, to fisheries management and maritime transport.


ItDPDM: Information-Theoretic Discrete Poisson Diffusion Model

Neural Information Processing Systems

Generative modeling of non-negative, discrete data, such as symbolic music, remains challenging due to two persistent limitations in existing methods. First, most approaches rely on modeling continuous embeddings, which are not wellsuited for inherently discrete data distributions.


Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data

Neural Information Processing Systems

Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring heuristic MSA subsampling approaches for generating alternative states. In parallel, cryo-electron microscopy (cryo-EM) has emerged as a powerful tool for imaging near-native structural heterogeneity, but is challenged by arduous pipelines to transform raw experimental data into atomic models. Here, we bridge the gap between these modalities, combining cryo-EM density maps with the rich sequence and biophysical priors learned by protein structure prediction models. Our method, CryoBoltz, guides the sampling trajectory of a pretrained biomolecular structure prediction model using both global and local structural constraints derived from density maps, driving predictions towards conformational states consistent with the experimental data. We demonstrate that this flexible yet powerful inferencetime approach allows us to build atomic models into heterogeneous cryo-EM maps across a variety of dynamic biomolecular systems including transporters and antibodies.


Hippocampal-like Sequential Editing for Continual Knowledge Updates in Large Language Models

Neural Information Processing Systems

Large language models (LLMs) are now pivotal in real-world applications. Model editing has emerged as a promising paradigm for efficiently modifying LLMs without full retraining. However, current editing approaches face significant limitations due to parameter drift, which stems from inconsistencies between newly edited knowledge and the model's existing knowledge. In sequential editing scenarios, cumulative drifts progressively lead to model collapse characterized by general capability degradation and balance between acquiring new knowledge and catastrophic forgetting of existing knowledge. Drawing inspiration from the hippocampal trisynaptic circuit for continual memorizing and forgetting, we propose a Hippocampal-like Sequential Editing (HSE) framework that designs the unlearning of obsolete knowledge, domain-specific knowledge update separation and replay for edited knowledge. Specifically, the HSE framework designs three core mechanisms: (1) Machine unlearning selectively erases outdated knowledge to facilitate integration of new information, (2) Fisher information matrix-guided parameter updates prevents cross-domain knowledge interference, and (3) Parameter replay consolidates long-term editing memory through lightweight and global replay of editing data in a parametric form. Theoretical analysis demonstrates that HSE achieves smaller generalization error bounds, more stable convergence and higher computational efficiency.


The Quotient Bayesian Learning Rule

Neural Information Processing Systems

This paper introduces the Quotient Bayesian Learning Rule, an extension of natural-gradient Bayesian updates to probability models that fall outside the exponential family. Building on the observation that many heavy-tailed and otherwise non-exponential distributions arise as marginals of minimal exponential families, we prove that such marginals inherit a unique Fisher-Rao information geometry via the quotient-manifold construction. Exploiting this geometry, we derive the Quotient Natural Gradient algorithm, which takes steepest-descent steps in the well-structured covering space, thereby guaranteeing parameterization-invariant optimization in the target space. Empirical results on the Student-t distribution confirm that our method converges more rapidly and attains higher-quality solutions than previous variants of the Bayesian Learning Rule.


On Minimax Estimation of Parameters in Softmax-Contaminated Mixture of Experts

Neural Information Processing Systems

The softmax-contaminated mixture of experts (MoE) model is deployed when a large-scale pre-trained model, which plays the role of a fixed expert, is fine-tuned for learning downstream tasks by including a new contamination part, or prompt, functioning as a new, trainable expert. Despite its popularity and relevance, the theoretical properties of the softmax-contaminated MoE have remained unexplored in the literature. In the paper, we study the convergence rates of the maximum likelihood estimator of gating and prompt parameters in order to gain insights into the statistical properties and potential challenges of fine-tuning with a new prompt. We find that the estimability of these parameters is compromised when the prompt acquires overlapping knowledge with the pre-trained model, in the sense that we make precise by formulating a novel analytic notion of distinguishability. Under distinguishability of the pre-trained and prompt models, we derive minimax optimal estimation rates for all the gating and prompt parameters. By contrast, when the distinguishability condition is violated, these estimation rates become significantly slower due to their dependence on the prompt convergence rate to the pre-trained model. Finally, we empirically corroborate our theoretical findings through several numerical experiments.