We develop a correspondence between the structure of Turing machines and the structure of singularities of real analytic functions, based on connecting the Ehrhard-Regnier derivative from linear logic with the role of geometry in Watanabe's singular learning theory. The correspondence works by embedding ordinary (discrete) Turing machine codes into a family of noisy codes which form a smooth parameter space. On this parameter space we consider a potential function which has Turing machines as critical points. By relating the Taylor series expansion of this potential at such a critical point to combinatorics of error syndromes, we relate the local geometry to internal structure of the Turing machine. The potential in question is the negative log-likelihood for a statistical model, so that the structure of the Turing machine and its associated singularity is further related to Bayesian inference. Two algorithms that produce the same predictive function can nonetheless correspond to singularities with different geometries, which implies that the Bayesian posterior can discriminate between distinct algorithmic implementations, contrary to a purely functional view of inference. In the context of singular learning theory our results point to a more nuanced understanding of Occam's razor and the meaning of simplicity in inductive inference.
This study investigates uncertainty quantification in large language models (LLMs) for medical applications, emphasizing both technical innovations and philosophical implications. As LLMs become integral to clinical decision-making, accurately communicating uncertainty is crucial for ensuring reliable, safe, and ethical AI-assisted healthcare. Our research frames uncertainty not as a barrier but as an essential part of knowledge that invites a dynamic and reflective approach to AI design. By integrating advanced probabilistic methods such as Bayesian inference, deep ensembles, and Monte Carlo dropout with linguistic analysis that computes predictive and semantic entropy, we propose a comprehensive framework that manages both epistemic and aleatoric uncertainties. The framework incorporates surrogate modeling to address limitations of proprietary APIs, multi-source data integration for better context, and dynamic calibration via continual and meta-learning. Explainability is embedded through uncertainty maps and confidence metrics to support user trust and clinical interpretability. Our approach supports transparent and ethical decision-making aligned with Responsible and Reflective AI principles. Philosophically, we advocate accepting controlled ambiguity instead of striving for absolute predictability, recognizing the inherent provisionality of medical knowledge.
Millimeter-wave (mmWave) MIMO systems rely on highly directional beamforming to overcome severe path loss and ensure robust communication links. However, selecting the optimal beam pair efficiently remains a challenge due to the large search space and the overhead of conventional methods. This paper proposes a probabilistic position-aided beam selection approach that exploits the statistical dependence between user equipment (UE) positions and optimal beam indices. We model the underlying joint probability mass function (PMF) of the positions and the beam indices as a low-rank tensor and estimate its parameters from training data using Bayesian inference. The estimated model is then used to predict the best (or a list of the top) beam pair indices for new UE positions. The proposed method is evaluated using data generated from a state-of-the-art ray tracing simulator and compared with neural network-based and fingerprinting approaches. The results show that our approach achieves a high data rate with fewer training samples and a significantly reduced beam search space. These advantages render it a promising solution for practical mmWave MIMO deployments, reducing the beam search overhead while maintaining a reliable connectivity.
Gaussian Process Motion Planning (GPMP) is a widely used framework for generating smooth trajectories within a limited compute time--an essential requirement in many robotic applications. However, traditional GPMP approaches often struggle with enforcing hard nonlinear constraints and rely on Maximum a Posteriori (MAP) solutions that disregard the full Bayesian posterior. This limits planning diversity and ultimately hampers decision-making. Recent efforts to integrate Stein Variational Gradient Descent (SVGD) into motion planning have shown promise in handling complex constraints. Nonetheless, these methods still face persistent challenges, such as difficulties in strictly enforcing constraints and inefficiencies when the probabilistic inference problem is poorly conditioned. To address these issues, we propose a novel constrained Stein Variational Gaussian Process Motion Planning (cSGPMP) framework, incorporating a GPMP prior specifically designed for trajectory optimization under hard constraints. Our approach improves the efficiency of particle-based inference while explicitly handling nonlinear constraints. This advancement significantly broadens the applicability of GPMP to motion planning scenarios demanding robust Bayesian inference, strict constraint adherence, and computational efficiency within a limited time. We validate our method on standard benchmarks, achieving an average success rate of 98.57% across 350 planning tasks, significantly outperforming competitive baselines. This demonstrates the ability of our method to discover and use diverse trajectory modes, enhancing flexibility and adaptability in complex environments, and delivering significant improvements over standard baselines without incurring major computational costs.
Markov chain Monte Carlo (MCMC) methods are a powerful but computationally expensive way of performing non-parametric Bayesian inference. MCMC proposals which utilise gradients, such as Hamiltonian Monte Carlo (HMC), can better explore the parameter space of interest if the additional hyper-parameters are chosen well. The No-U-Turn Sampler (NUTS) is a variant of HMC which is extremely effective at selecting these hyper-parameters but is slow to run and is not suited to GPU architectures. An alternative to NUTS, Change in the Estimator of the Expected Square HMC (ChEES-HMC) was shown not only to run faster than NUTS on GPU but also sample from posteriors more efficiently. Sequential Monte Carlo (SMC) samplers are another sampling method which instead output weighted samples from the posterior. They are very amenable to parallelisation and therefore being run on GPUs while having additional flexibility in their choice of proposal over MCMC. We incorporate (ChEEs-HMC) as a proposal into SMC samplers and demonstrate competitive but faster performance than NUTS on a number of tasks.
We present a multi-fidelity method for uncertainty quantification of parameter estimates in complex systems, leveraging generative models trained to sample the target conditional distribution. In the Bayesian inference setting, traditional parameter estimation methods rely on repeated simulations of potentially expensive forward models to determine the posterior distribution of the parameter values, which may result in computationally intractable workflows. Furthermore, methods such as Markov Chain Monte Carlo (MCMC) necessitate rerunning the entire algorithm for each new data observation, further increasing the computational burden. Hence, we propose a novel method for efficiently obtaining posterior distributions of parameter estimates for high-fidelity models given data observations of interest. The method first constructs a low-fidelity, conditional generative model capable of amortized Bayesian inference and hence rapid posterior density approximation over a wide-range of data observations. When higher accuracy is needed for a specific data observation, the method employs adaptive refinement of the density approximation. It uses outputs from the low-fidelity generative model to refine the parameter sampling space, ensuring efficient use of the computationally expensive high-fidelity solver. Subsequently, a high-fidelity, unconditional generative model is trained to achieve greater accuracy in the target posterior distribution. Both low- and high- fidelity generative models enable efficient sampling from the target posterior and do not require repeated simulation of the high-fidelity forward model. We demonstrate the effectiveness of the proposed method on several numerical examples, including cases with multi-modal densities, as well as an application in plasma physics for a runaway electron simulation model.
Certifying safety in dynamical systems is crucial, but barrier certificates - widely used to verify that system trajectories remain within a safe region - typically require explicit system models. When dynamics are unknown, data-driven methods can be used instead, yet obtaining a valid certificate requires rigorous uncertainty quantification. For this purpose, existing methods usually rely on full-state measurements, limiting their applicability. This paper proposes a novel approach for synthesizing barrier certificates for unknown systems with latent states and polynomial dynamics. A Bayesian framework is employed, where a prior in state-space representation is updated using input-output data via a targeted marginal Metropolis-Hastings sampler. The resulting samples are used to construct a candidate barrier certificate through a sum-of-squares program. It is shown that if the candidate satisfies the required conditions on a test set of additional samples, it is also valid for the true, unknown system with high probability. The approach and its probabilistic guarantees are illustrated through a numerical simulation.
In the United States alone accidental home deaths exceed 128,000 per year. Our work aims to enable home robots who respond to emergency scenarios in the home, preventing injuries and deaths. We introduce a new dataset of household emergencies based in the ThreeDWorld simulator. Each scenario in our dataset begins with an instantaneous or periodic sound which may or may not be an emergency. The agent must navigate the multi-room home scene using prior observations, alongside audio signals and images from the simulator, to determine if there is an emergency or not. In addition to our new dataset, we present a modular approach for localizing and identifying potential home emergencies. Underpinning our approach is a novel probabilistic dynamic scene graph (P-DSG), where our key insight is that graph nodes corresponding to agents can be represented with a probabilistic edge. This edge, when refined using Bayesian inference, enables efficient and effective localization of agents in the scene. We also utilize multi-modal vision-language models (VLMs) as a component in our approach, determining object traits (e.g. flammability) and identifying emergencies. We present a demonstration of our method completing a real-world version of our task on a consumer robot, showing the transferability of both our task and our method. Our dataset will be released to the public upon this papers publication.
Stein variational gradient descent (SVGD) is a kernel-based particle method for sampling from a target distribution, e.g., in generative modeling and Bayesian inference. SVGD does not require estimating the gradient of the log-density, which is called score estimation. In practice, SVGD can be slow compared to score-estimation based sampling algorithms. To design fast and efficient high-dimensional sampling algorithms, we introduce ASVGD, an accelerated SVGD, based on an accelerated gradient flow in a metric space of probability densities following Nesterov's method. We then derive a momentum-based discrete-time sampling algorithm, which evolves a set of particles deterministically. To stabilize the particles' momentum update, we also study a Wasserstein metric regularization. For the generalized bilinear kernel and the Gaussian kernel, toy numerical examples with varied target distributions demonstrate the effectiveness of ASVGD compared to SVGD and other popular sampling methods.
Predictive coding (PC) is an influential theory of information processing in the brain, providing a biologically plausible alternative to backpropagation. It is motivated in terms of Bayesian inference, as hidden states and parameters are optimised via gradient descent on variational free energy. However, implementations of PC rely on maximum \textit{a posteriori} (MAP) estimates of hidden states and maximum likelihood (ML) estimates of parameters, limiting their ability to quantify epistemic uncertainty. In this work, we investigate a Bayesian extension to PC that estimates a posterior distribution over network parameters. This approach, termed Bayesian Predictive coding (BPC), preserves the locality of PC and results in closed-form Hebbian weight updates. Compared to PC, our BPC algorithm converges in fewer epochs in the full-batch setting and remains competitive in the mini-batch setting. Additionally, we demonstrate that BPC offers uncertainty quantification comparable to existing methods in Bayesian deep learning, while also improving convergence properties. Together, these results suggest that BPC provides a biologically plausible method for Bayesian learning in the brain, as well as an attractive approach to uncertainty quantification in deep learning.
Recently introduced prior-encoding deep generative models (e.g., PriorVAE, $\pi$VAE, and PriorCVAE) have emerged as powerful tools for scalable Bayesian inference by emulating complex stochastic processes like Gaussian processes (GPs). However, these methods remain largely a proof-of-concept and inaccessible to practitioners. We propose DeepRV, a lightweight, decoder-only approach that accelerates training, and enhances real-world applicability in comparison to current VAE-based prior encoding approaches. Leveraging probabilistic programming frameworks (e.g., NumPyro) for inference, DeepRV achieves significant speedups while also improving the quality of parameter inference, closely matching full MCMC sampling. We showcase its effectiveness in process emulation and spatial analysis of the UK using simulated data, gender-wise cancer mortality rates for individuals under 50, and HIV prevalence in Zimbabwe. To bridge the gap between theory and practice, we provide a user-friendly API, enabling scalable and efficient Bayesian inference.
Decision making under uncertainty is a cross-cutting challenge in science and engineering. Most approaches to this challenge employ probabilistic representations of uncertainty. In complicated systems accessible only via data or black-box models, however, these representations are rarely known. We discuss how to characterize and manipulate such representations using triangular transport maps, which approximate any complex probability distribution as a transformation of a simple, well-understood distribution. The particular structure of triangular transport guarantees many desirable mathematical and computational properties that translate well into solving practical problems. Triangular maps are actively used for density estimation, (conditional) generative modelling, Bayesian inference, data assimilation, optimal experimental design, and related tasks. While there is ample literature on the development and theory of triangular transport methods, this manuscript provides a detailed introduction for scientists interested in employing measure transport without assuming a formal mathematical background. We build intuition for the key foundations of triangular transport, discuss many aspects of its practical implementation, and outline the frontiers of this field.
This work addresses the problem of graph learning from data following a Gaussian Graphical Model (GGM) with a time-varying mean. Graphical Lasso (GL), the standard method for estimating sparse precision matrices, assumes that the observed data follows a zero-mean Gaussian distribution. However, this assumption is often violated in real-world scenarios where the mean evolves over time due to external influences, trends, or regime shifts. When the mean is not properly accounted for, applying GL directly can lead to estimating a biased precision matrix, hence hindering the graph learning task. To overcome this limitation, we propose Graphical Lasso with Adaptive Targeted Adaptive Importance Sampling (GL-ATAIS), an iterative method that jointly estimates the time-varying mean and the precision matrix. Our approach integrates Bayesian inference with frequentist estimation, leveraging importance sampling to obtain an estimate of the mean while using a regularized maximum likelihood estimator to infer the precision matrix. By iteratively refining both estimates, GL-ATAIS mitigates the bias introduced by time-varying means, leading to more accurate graph recovery. Our numerical evaluation demonstrates the impact of properly accounting for time-dependent means and highlights the advantages of GL-ATAIS over standard GL in recovering the true graph structure.
Physics-informed neural networks (PINNs) have demonstrated promise as a framework for solving forward and inverse problems involving partial differential equations. Despite recent progress in the field, it remains challenging to quantify uncertainty in these networks. While approaches such as Bayesian PINNs (B-PINNs) provide a principled approach to capturing uncertainty through Bayesian inference, they can be computationally expensive for large-scale applications. In this work, we propose Epistemic Physics-Informed Neural Networks (E-PINNs), a framework that leverages a small network, the \emph{epinet}, to efficiently quantify uncertainty in PINNs. The proposed approach works as an add-on to existing, pre-trained PINNs with a small computational overhead. We demonstrate the applicability of the proposed framework in various test cases and compare the results with B-PINNs using Hamiltonian Monte Carlo (HMC) posterior estimation and dropout-equipped PINNs (Dropout-PINNs). Our experiments show that E-PINNs provide similar coverage to B-PINNs, with often comparable sharpness, while being computationally more efficient. This observation, combined with E-PINNs' more consistent uncertainty estimates and better calibration compared to Dropout-PINNs for the examples presented, indicates that E-PINNs offer a promising approach in terms of accuracy-efficiency trade-off.
Artificial intelligence systems based on large language models (LLMs) are increasingly used as agents that interact with users and with the world. To do so successfully, LLMs need to construct internal representations of the world and form probabilistic beliefs about those representations. To provide a user with personalized recommendations, for example, the LLM needs to gradually infer the user's preferences, over the course of multiple interactions. To evaluate whether contemporary LLMs are able to do so, we use the Bayesian inference framework from probability theory, which lays out the optimal way to update an agent's beliefs as it receives new information. We first show that the LLMs do not update their beliefs as expected from the Bayesian framework, and that consequently their predictions do not improve as expected as more information becomes available, even less so than we find is the case for humans. To address this issue, we teach the LLMs to reason in a Bayesian manner by training them to mimic the predictions of an optimal Bayesian model. We find that this approach not only significantly improves the LLM's performance on the particular recommendation task it is trained on, but also enables generalization to other tasks. This suggests that this method endows the LLM with broader Bayesian reasoning skills. More generally, our results indicate that LLMs can learn about reasoning strategies effectively and generalize those skills to new domains, which in part explains LLMs' empirical success.
We introduce a new compositional framework for generalized variational inference, clarifying the different parts of a model, how they interact, and how they compose. We explain that both exact Bayesian inference and the loss functions typical of variational inference (such as variational free energy and its generalizations) satisfy chain rules akin to that of reverse-mode automatic differentiation, and we advocate for exploiting this to build and optimize models accordingly. To this end, we construct a series of compositional tools: for building models; for constructing their inversions; for attaching local loss functions; and for exposing parameters. Finally, we explain how the resulting parameterized statistical games may be optimized locally, too. We illustrate our framework with a number of classic examples, pointing to new areas of extensibility that are revealed.
We introduce an open-ended test grounded in algorithmic probability that can avoid benchmark contamination in the quantitative evaluation of frontier models in the context of their Artificial General Intelligence (AGI) and Superintelligence (ASI) claims. Unlike other tests, this test does not rely on statistical compression methods (such as GZIP or LZW), which are more closely related to Shannon entropy than to Kolmogorov complexity and are not able to test beyond simple pattern matching. The test challenges aspects of AI, in particular LLMs, related to features of intelligence of fundamental nature such as synthesis and model creation in the context of inverse problems (generating new knowledge from observation). We argue that metrics based on model abstraction and abduction (optimal Bayesian `inference') for predictive `planning' can provide a robust framework for testing intelligence, including natural intelligence (human and animal), narrow AI, AGI, and ASI. We found that LLM model versions tend to be fragile and incremental as a result of memorisation only with progress likely driven by the size of training data. The results were compared with a hybrid neurosymbolic approach that theoretically guarantees universal intelligence based on the principles of algorithmic probability and Kolmogorov complexity. The method outperforms LLMs in a proof-of-concept on short binary sequences. We prove that compression is equivalent and directly proportional to a system's predictive power and vice versa. That is, if a system can better predict it can better compress, and if it can better compress, then it can better predict. Our findings strengthen the suspicion regarding the fundamental limitations of LLMs, exposing them as systems optimised for the perception of mastery over human language.
One-Shot Federated Learning (FL) is a recent paradigm that enables multiple clients to cooperatively learn a global model in a single round of communication with a central server. In this paper, we analyze the One-Shot FL problem through the lens of Bayesian inference and propose FedBEns, an algorithm that leverages the inherent multimodality of local loss functions to find better global models. Our algorithm leverages a mixture of Laplace approximations for the clients' local posteriors, which the server then aggregates to infer the global model. We conduct extensive experiments on various datasets, demonstrating that the proposed method outperforms competing baselines that typically rely on unimodal approximations of the local losses.
This paper introduces a novel plug-and-play (PnP) Langevin sampling methodology for Bayesian inference in low-photon Poisson imaging problems, a challenging class of problems with significant applications in astronomy, medicine, and biology. PnP Langevin sampling algorithms offer a powerful framework for Bayesian image restoration, enabling accurate point estimation as well as advanced inference tasks, including uncertainty quantification and visualization analyses, and empirical Bayesian inference for automatic model parameter tuning. However, existing PnP Langevin algorithms are not well-suited for low-photon Poisson imaging due to high solution uncertainty and poor regularity properties, such as exploding gradients and non-negativity constraints. To address these challenges, we propose two strategies for extending Langevin PnP sampling to Poisson imaging models: (i) an accelerated PnP Langevin method that incorporates boundary reflections and a Poisson likelihood approximation and (ii) a mirror sampling algorithm that leverages a Riemannian geometry to handle the constraints and the poor regularity of the likelihood without approximations. The effectiveness of these approaches is demonstrated through extensive numerical experiments and comparisons with state-of-the-art methods.
Effective uncertainty quantification is important for training modern predictive models with limited data, enhancing both accuracy and robustness. While Bayesian methods are effective for this purpose, they can be challenging to scale. When employing approximate Bayesian inference, ensuring the quality of samples from the posterior distribution in a computationally efficient manner is essential. This paper addresses the estimation of the Bayesian posterior to generate diverse samples by approximating the gradient flow of the Kullback-Leibler (KL) divergence and the cross entropy of the target approximation under the metric induced by the Stein Operator. It presents empirical evaluations on classification tasks to assess the method's performance and discuss its effectiveness for Model-Based Reinforcement Learning that uses uncertainty-aware network dynamics models.