Neurosymbolic (NeSy) predictors combine neural perception with symbolic reasoning to solve tasks like visual reasoning. However, standard NeSy predictors assume conditional independence between the symbols they extract, thus limiting their ability to model interactions and uncertainty -- often leading to overconfident predictions and poor out-of-distribution generalisation. To overcome the limitations of the independence assumption, we introduce neurosymbolic diffusion models (NESYDMS), a new class of NeSy predictors that use discrete diffusion to model dependencies between symbols.

Estimating the uncertainty of responses from Large Language Models (LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization (TFB), a simple yet theoretically grounded framework that efficiently transforms trained low-rank adapters into Bayesian ones without additional training. TFBsystematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. Our theoretical analysis shows that under mild conditions, this search process is equivalent to KL-regularized variational optimization, a generalized form of variational inference. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex Bayesianization training procedures.

Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior distribution of model parameters, and then propagating posterior samples through the predictive model via Monte Carlo simulation. This sequential workflow can be computationally demanding, particularly for high-fidelity models such as those governed by partial differential equations. We propose a variational Bayesian framework that directly targets the posterior-predictive distribution and jointly learns variational approximations of both the posterior and the corresponding predictive distribution. The formulation introduces a variational upper bound on the Kullback--Leibler divergence together with moment-based regularization terms. The variational distributions are trained in an amortized manner, shifting computational effort to an offline stage and enabling efficient online inference. Numerical experiments ranging from analytical benchmarks to a finite-element solid mechanics problem demonstrate that the proposed method achieves more accurate predictive distributions than conventional two-stage variational inference, while substantially reducing the cost of online predictive inference.

Appendix A provides derivations supporting Section 3 in the main paper. In Appendix B, we explain our experimental setup, including dataset preparation and model implementation, in more detail. Finally, Appendix C provides additional results supporting our claims regarding the scalability of our method, together with additional results from the experiments presented in Section 4. In this section we provide detailed derivations of the ST-DGMRF joint distribution, for both firstorder transition models (Section A.1) and higher-order transition models (Section A.2). A.1 Joint distribution The LDS (see Section 2.2 and 3.1 in the main paper) defines a joint distribution over system states First, note that Eq. (1) can be written as a set of linear equations Moving all xk-terms to the left-hand side, we can rewrite this as a matrix-vector multiplication I F1 I F2 I ...... FKI | {z} Empty positions in F represent zero-blocks. Now, we can express x as an affine transformation of ϵ x = F 1c+F 1ϵ, (3) where F 1 exists because det(F) = 1. Since ϵ is distributed as ϵ N(0,Q 1) with Q = diag(Q0,Q1,...,QK), and c is deterministic, we can use the affine property of Gaussian distributions to obtain the joint distribution This reduces both computations and memory requirements. In contrast, the information vector η = Ωµcan be expressed compactly as η = FTQFF 1c = FTQc, (8) which can be computed efficiently using sparse and parallel matrix-vector multiplications on a GPU.

Neural Information Processing Systems http://nips.cc/

We propose stepwise variational inference (VI) with vine copulas: a universal VI procedure that combines vine copulas with a novel stepwise estimation procedure of the variational parameters. Vine copulas consist of a nested sequence of trees built from copulas, where more complex latent dependence can be modeled with increasing number of trees. We propose to estimate the vine copula approximate posterior in a stepwise fashion, tree by tree along the vine structure. Further, we show that the usual backward Kullback-Leibler divergence cannot recover the correct parameters in the vine copula model, thus the evidence lower bound is defined based on the Rényi divergence. Finally, an intuitive stopping criterion for adding further trees to the vine eliminates the need to pre-define a complexity parameter of the variational distribution, as required for most other approaches. Thus, our method interpolates between mean-field VI (MFVI) and full latent dependence. In many applications, in particular sparse Gaussian processes, our method is parsimonious with parameters, while outperforming MFVI.