Abstract:A key strength of diffusion models lies in their flexibility, since their outputs can be controlled at sampling time through guidance. However, beyond simple cases such as conditional sampling, the target distribution is often left implicit, defined only through a sampling rule or a heuristic energy function. To address this, we propose Jeffrey guidance, a principled framework that extends diffusion-model control to applications beyond what standard guidance can express. It leverages Jeffrey's rule of conditioning to update marginal distributions towards a prescribed target, preserving the conditional structure and minimally perturbing the joint distribution. We first demonstrate Jeffrey guidance by targeting a prescribed embedding distribution. With Inception embeddings as the target, this leads to substantial reductions in FID on both CIFAR-10 and FFHQ. We further apply Jeffrey guidance to fairness on CelebA-HQ, updating an unconditional diffusion model to enforce independence between attributes.
Abstract:Diffusion models have emerged as powerful generative approaches for missing-data imputation, yet most existing methods operate directly in data space and degrade when training data are heavily incomplete. We investigate whether shifting diffusion to a learned latent representation improves robustness under missing-completely-at-random (MCAR) corruption. To this end, we propose a two-stage framework: a robust VAE-based imputer first learns compact semantic features from incomplete observations, and a diffusion model is then trained in the resulting latent space. Across training missing rates, we perform a controlled comparison against pixel-space diffusion models under the same incomplete-data setting. The latent diffusion model maintains high sample quality and remains stable up to 50\% missingness, while pixel-space diffusion degrades progressively as missingness increases. For downstream imputation, latent diffusion also achieves consistently better performance than pixel-space diffusion. These findings indicate that latent-space modeling mitigates artifact amplification from zero-imputed inputs and provides a more robust generative prior for incomplete-data learning. Overall, our results support latent diffusion as a strong and practically useful alternative to pixel-space diffusion for missing-data problems.
Abstract:For most languages of the world, language model pre-training operates in a data-constrained regime where models must repeat their training data many times, degrading generalization. Two remedies exist: aggressive hyperparameter tuning such as high weight decay, and mixing in data from a high-resource auxiliary language to directly aid the low-resource target. While hyperparameter tuning regularizes the model by shrinking weights to restrict network capacity, auxiliary data mixing uses a tunable mixing ratio to expand the training distribution and diversify the training signal with new knowledge. Both offer a principled way to improve training in a data-constrained domain. We compare these levers systematically across four model scales from 150M to 1.43B parameters, using Arabic as the low-resource target and English as the auxiliary, over approximately 1000 pre-training runs. Three findings emerge. First, mixing yields larger improvements than hyperparameter tuning on both validation loss and downstream task accuracy, and the gap grows with model size. Second, we quantify how much mixing helps: it boosts performance by an amount equivalent to 2--3$\times$ the unique target data on validation loss and 2--13$\times$ on downstream task accuracy, with the gain scaling steeply with model size. Third, this divergence reveals that target-language validation loss systematically underestimates mixing's value. Mixing regularizes by diversifying the training signal and contributes knowledge the repeated target corpus cannot supply; validation loss captures only the first effect. Our practical recommendations are: mix in a high-resource language, prioritize the mixing ratio over hyperparameter tuning, and transfer hyperparameters from a small proxy model via $μ$P.
Abstract:Order-Agnostic autoregressive models have demonstrated strong performance in deep generative modeling, yet their use in settings with incomplete data remains largely unexplored. In this work, we reinterpret them through the lens of missing data. First, we show that their standard training procedure on fully observed data implicitly performs imputation under a missing completely at random mechanism, resulting in robust out-of-sample imputation performance in settings with high missingness. Second, we introduce the first principled framework for training them directly on incomplete datasets under general missingness mechanisms. Third, we leverage their amortized conditional density estimation to perform active information acquisition, i.e., sequentially selecting the most informative missing variables for downstream prediction or inference. Across a suite of real-world benchmarks, our Missingness-Aware Order-Agnostic Autoregressive Model (MO-ARM) consistently outperforms established imputation baselines.
Abstract:Existing methods for quantifying predictive uncertainty in neural networks are either computationally intractable for large language models or require access to training data that is typically unavailable. We derive a lightweight alternative through two approximations: a first-order Taylor expansion that expresses uncertainty in terms of the gradient of the prediction and the parameter covariance, and an isotropy assumption on the parameter covariance. Together, these yield epistemic uncertainty as the squared gradient norm and aleatoric uncertainty as the Bernoulli variance of the point prediction, from a single forward-backward pass through an unmodified pretrained model. We justify the isotropy assumption by showing that covariance estimates built from non-training data introduce structured distortions that isotropic covariance avoids, and that theoretical results on the spectral properties of large networks support the approximation at scale. Validation against reference Markov Chain Monte Carlo estimates on synthetic problems shows strong correspondence that improves with model size. We then use the estimates to investigate when each uncertainty type carries useful signal for predicting answer correctness in question answering with large language models, revealing a benchmark-dependent divergence: the combined estimate achieves the highest mean AUROC on TruthfulQA, where questions involve genuine conflict between plausible answers, but falls to near chance on TriviaQA's factual recall, suggesting that parameter-level uncertainty captures a fundamentally different signal than self-assessment methods.
Abstract:Large language models (LLMs) are increasingly used as automated judges and synthetic labelers, especially in low-label settings. Yet these systems are stochastic and often overconfident, which makes deployment decisions difficult when external ground truth is limited. We propose a practical calibration protocol based on controlled input interventions: if noise severity increases, task performance should exhibit a statistically significant deterioration trend. We operationalize this with a slope-based hypothesis test over repeated trials, using signal-to-noise-ratio (SNR) perturbations for tabular data and lexical perturbations for text data. Across UCI tabular benchmarks and four text classification datasets, we find clear modality-dependent behavior. Our results reveal a modality gap: while text-based judges degrade predictably, the majority of tabular datasets show a lack of statistically significant performance deterioration even under significant signal-to-noise reduction. Interestingly we find that model performance is lower on datasets that are insensitive to noise interventions. We present a reproducible methodology and reporting protocol for robust LLM-judge calibration under distribution shift.
Abstract:Stochastic interpolants unify flows and diffusions, popular generative modeling frameworks. A primary hyperparameter in these methods is the interpolation schedule that determines how to bridge a standard Gaussian base measure to an arbitrary target measure. We prove how to convert a sample path of a stochastic differential equation (SDE) with arbitrary diffusion coefficient under any schedule into the unique sample path under another arbitrary schedule and diffusion coefficient. We then extend the stochastic interpolant framework to admit a larger class of point mass schedules in which the Gaussian base measure collapses to a point mass measure. Under the assumption of Gaussian data, we identify lazy schedule families that make the drift identically zero and show that with deterministic sampling one gets a variance-preserving schedule commonly used in diffusion models, whereas with statistically optimal SDE sampling one gets our point mass schedule. Finally, to demonstrate the usefulness of our theoretical results on realistic highly non-Gaussian data, we apply our lazy schedule conversion to a state-of-the-art pretrained flow model and show that this allows for generating images in fewer steps without retraining the model.
Abstract:Score-based diffusion models have recently been extended to infinite-dimensional function spaces, with uses such as inverse problems arising from partial differential equations. In the Bayesian formulation of inverse problems, the aim is to sample from a posterior distribution over functions obtained by conditioning a prior on noisy observations. While diffusion models provide expressive priors in function space, the theory of conditioning them to sample from the posterior remains open. We address this, assuming that either the prior lies in the Cameron-Martin space, or is absolutely continuous with respect to a Gaussian measure. We prove that the models can be conditioned using an infinite-dimensional extension of Doob's $h$-transform, and that the conditional score decomposes into an unconditional score and a guidance term. As the guidance term is intractable, we propose a simulation-free score matching objective (called Supervised Guidance Training) enabling efficient and stable posterior sampling. We illustrate the theory with numerical examples on Bayesian inverse problems in function spaces. In summary, our work offers the first function-space method for fine-tuning trained diffusion models to accurately sample from a posterior.
Abstract:Inverse folding models have proven to be highly effective zero-shot predictors of protein stability. Despite this success, the link between the amino acid preferences of an inverse folding model and the free-energy considerations underlying thermodynamic stability remains incompletely understood. A better understanding would be of interest not only from a theoretical perspective, but also potentially provide the basis for stronger zero-shot stability prediction. In this paper, we take steps to clarify the free-energy foundations of inverse folding models. Our derivation reveals the standard practice of likelihood ratios as a simplistic approximation and suggests several paths towards better estimates of the relative stability. We empirically assess these approaches and demonstrate that considerable gains in zero-shot performance can be achieved with fairly simple means.
Abstract:Energy-based models (EBMs) estimate unnormalized densities in an elegant framework, but they are generally difficult to train. Recent work has linked EBMs to generative adversarial networks, by noting that they can be trained through a minimax game using a variational lower bound. To avoid the instabilities caused by minimizing a lower bound, we propose to instead work with bidirectional bounds, meaning that we maximize a lower bound and minimize an upper bound when training the EBM. We investigate four different bounds on the log-likelihood derived from different perspectives. We derive lower bounds based on the singular values of the generator Jacobian and on mutual information. To upper bound the negative log-likelihood, we consider a gradient penalty-like bound, as well as one based on diffusion processes. In all cases, we provide algorithms for evaluating the bounds. We compare the different bounds to investigate, the pros and cons of the different approaches. Finally, we demonstrate that the use of bidirectional bounds stabilizes EBM training and yields high-quality density estimation and sample generation.