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 Uncertainty


Gaussian Process Tilted Nonparametric Density Estimation using Fisher Divergence Score Matching

arXiv.org Artificial Intelligence

We propose a nonparametric density estimator based on the Gaussian process (GP) and derive three novel closed form learning algorithms based on Fisher divergence (FD) score matching. The density estimator is formed by multiplying a base multivariate normal distribution with an exponentiated GP refinement, and so we refer to it as a GP-tilted nonparametric density. By representing the GP part of the score as a linear function using the random Fourier feature (RFF) approximation, we show that optimization can be solved in closed form for the three FD-based objectives considered. This includes the basic and noise conditional versions of the Fisher divergence, as well as an alternative to noise conditional FD models based on variational inference (VI) that we propose in this paper. For this novel learning approach, we propose an ELBO-like optimization to approximate the posterior distribution, with which we then derive a Fisher variational predictive distribution. The RFF representation of the GP, which is functionally equivalent to a single layer neural network score model with cosine activation, provides a useful linear representation of the GP for which all expectations can be solved. The Gaussian base distribution also helps with tractability of the VI approximation and ensures that our proposed density is well-defined. We demonstrate our three learning algorithms, as well as a MAP baseline algorithm, on several low dimensional density estimation problems. The closed form nature of the learning problem removes the reliance on iterative learning algorithms, making this technique particularly well-suited to big data sets, since only sufficient statistics collected from a single pass through the data is needed.


Dual Riemannian Newton Method on Statistical Manifolds

arXiv.org Machine Learning

In probabilistic modeling, parameter estimation is commonly formulated as a minimization problem on a parameter manifold. Optimization in such spaces requires geometry-aware methods that respect the underlying information structure. While the natural gradient leverages the Fisher information metric as a form of Riemannian gradient descent, it remains a first-order method and often exhibits slow convergence near optimal solutions. Existing second-order manifold algorithms typically rely on the Levi-Civita connection, thus overlooking the dual-connection structure that is central to information geometry. We propose the dual Riemannian Newton method, a Newton-type optimization algorithm on manifolds endowed with a metric and a pair of dual affine connections. The dual Riemannian Newton method explicates how duality shapes second-order updates: when the retraction (a local surrogate of the exponential map) is defined by one connection, the associated Newton equation is posed with its dual. We establish local quadratic convergence and validate the theory with experiments on representative statistical models. Thus, the dual Riemannian Newton method thus delivers second-order efficiency while remaining compatible with the dual structures that underlie modern information-geometric learning and inference.


Bayesian Evaluation of Large Language Model Behavior

arXiv.org Machine Learning

It is increasingly important to evaluate how text generation systems based on large language models (LLMs) behave, such as their tendency to produce harmful output or their sensitivity to adversarial inputs. Such evaluations often rely on a curated benchmark set of input prompts provided to the LLM, where the output for each prompt may be assessed in a binary fashion (e.g., harmful/non-harmful or does not leak/leaks sensitive information), and the aggregation of binary scores is used to evaluate the LLM. However, existing approaches to evaluation often neglect statistical uncertainty quantification. With an applied statistics audience in mind, we provide background on LLM text generation and evaluation, and then describe a Bayesian approach for quantifying uncertainty in binary evaluation metrics. We focus in particular on uncertainty that is induced by the probabilistic text generation strategies typically deployed in LLM-based systems. We present two case studies applying this approach: 1) evaluating refusal rates on a benchmark of adversarial inputs designed to elicit harmful responses, and 2) evaluating pairwise preferences of one LLM over another on a benchmark of open-ended interactive dialogue examples. We demonstrate how the Bayesian approach can provide useful uncertainty quantification about the behavior of LLM-based systems.





Flow Matching for Scalable Simulation-Based Inference

Neural Information Processing Systems

Figure 1: Comparison of network architectures (left) and flow trajectories (right). Discrete flows (NPE, top) require a specialized architecture for the density estimator. Continuous flows (FMPE, bottom) are based on a vector field parametrized with an unconstrained architecture.


Flow Matching for Scalable Simulation-Based Inference Jonas Wildberger

Neural Information Processing Systems

Figure 1: Comparison of network architectures (left) and flow trajectories (right). Discrete flows (NPE, top) require a specialized architecture for the density estimator. Continuous flows (FMPE, bottom) are based on a vector field parametrized with an unconstrained architecture.