Uncertainty
Reducing normalizing flow complexity for MCMC preconditioning
Nabergoj, David, ล trumbelj, Erik
Preconditioning is a key component of MCMC algorithms that improves sampling efficiency by facilitating exploration of geometrically complex target distributions through an invertible map. While linear preconditioners are often sufficient for moderately complex target distributions, recent work has explored nonlinear preconditioning with invertible neural networks as components of normalizing flows (NFs). However, empirical and theoretical studies show that overparameterized NF preconditioners can degrade sampling efficiency and fit quality. Moreover, existing NF-based approaches do not adapt their architectures to the target distribution. Related work outside of MCMC similarly finds that suitably parameterized NFs can achieve comparable or superior performance with substantially less training time or data. We propose a factorized preconditioning architecture that reduces NF complexity by combining a linear component with a conditional NF, improving adaptability to target geometry. The linear preconditioner is applied to dimensions that are approximately Gaussian, as estimated from warmup samples, while the conditional NF models more complex dimensions. Our method yields significantly better tail samples on two complex synthetic distributions and consistently better performance on a sparse logistic regression posterior across varying likelihood and prior strengths. It also achieves higher effective sample sizes on hierarchical Bayesian model posteriors with weak likelihoods and strong funnel geometries. This approach is particularly relevant for hierarchical Bayesian model analyses with limited data and could inform current theoretical and software strides in neural MCMC design.
Belief Dynamics Reveal the Dual Nature of In-Context Learning and Activation Steering
Bigelow, Eric, Wurgaft, Daniel, Wang, YingQiao, Goodman, Noah, Ullman, Tomer, Tanaka, Hidenori, Lubana, Ekdeep Singh
Large language models (LLMs) can be controlled at inference time through prompts (in-context learning) and internal activations (activation steering). Different accounts have been proposed to explain these methods, yet their common goal of controlling model behavior raises the question of whether these seemingly disparate methodologies can be seen as specific instances of a broader framework. Motivated by this, we develop a unifying, predictive account of LLM control from a Bayesian perspective. Specifically, we posit that both context- and activation-based interventions impact model behavior by altering its belief in latent concepts: steering operates by changing concept priors, while in-context learning leads to an accumulation of evidence. This results in a closed-form Bayesian model that is highly predictive of LLM behavior across context- and activation-based interventions in a set of domains inspired by prior work on many-shot in-context learning. This model helps us explain prior empirical phenomena - e.g., sigmoidal learning curves as in-context evidence accumulates - while predicting novel ones - e.g., additivity of both interventions in log-belief space, which results in distinct phases such that sudden and dramatic behavioral shifts can be induced by slightly changing intervention controls. Taken together, this work offers a unified account of prompt-based and activation-based control of LLM behavior, and a methodology for empirically predicting the effects of these interventions.
Mutual Information guided Visual Contrastive Learning
Representation learning methods utilizing the InfoNCE loss have demonstrated considerable capacity in reducing human annotation effort by training invariant neural feature extractors. Although different variants of the training objective adhere to the information maximization principle between the data and learned features, data selection and augmentation still rely on human hypotheses or engineering, which may be suboptimal. For instance, data augmentation in contrastive learning primarily focuses on color jittering, aiming to emulate real-world illumination changes. In this work, we investigate the potential of selecting training data based on their mutual information computed from real-world distributions, which, in principle, should endow the learned features with better generalization when applied in open environments. Specifically, we consider patches attached to scenes that exhibit high mutual information under natural perturbations, such as color changes and motion, as positive samples for learning with contrastive loss. We evaluate the proposed mutual-information-informed data augmentation method on several benchmarks across multiple state-of-the-art representation learning frameworks, demonstrating its effectiveness and establishing it as a promising direction for future research.
Application of predictive machine learning in pen & paper RPG game design
In recent years, the pen and paper RPG market has experienced significant growth. As a result, companies are increasingly exploring the integration of AI technologies to enhance player experience and gain a competitive edge. One of the key challenges faced by publishers is designing new opponents and estimating their challenge level. Currently, there are no automated methods for determining a monster's level; the only approaches used are based on manual testing and expert evaluation. Although these manual methods can provide reasonably accurate estimates, they are time-consuming and resource-intensive. Level prediction can be approached using ordinal regression techniques. This thesis presents an overview and evaluation of state-of-the-art methods for this task. It also details the construction of a dedicated dataset for level estimation. Furthermore, a human-inspired model was developed to serve as a benchmark, allowing comparison between machine learning algorithms and the approach typically employed by pen and paper RPG publishers. In addition, a specialized evaluation procedure, grounded in domain knowledge, was designed to assess model performance and facilitate meaningful comparisons.
Forecasting Occupational Survivability of Rickshaw Pullers in a Changing Climate with Wearable Data
Rahaman, Masfiqur, Hasana, Maoyejatun, Rahman, Shahad Shahriar, Noor, MD Sajid Mostafiz, Abedin, Razin Reaz, Tahmid, Md Toki, Parris, Duncan Watson, Choudhury, Tanzeem, Islam, A. B. M. Alim Al, Rahman, Tauhidur
Cycle rickshaw pullers are highly vulnerable to extreme heat, yet little is known about how their physiological biomarkers respond under such conditions. This study collected real-time weather and physiological data using wearable sensors from 100 rickshaw pullers in Dhaka, Bangladesh. In addition, interviews with 12 pullers explored their knowledge, perceptions, and experiences related to climate change. We developed a Linear Gaussian Bayesian Network (LGBN) regression model to predict key physiological biomarkers based on activity, weather, and demographic features. The model achieved normalized mean absolute error values of 0.82, 0.47, 0.65, and 0.67 for skin temperature, relative cardiac cost, skin conductance response, and skin conductance level, respectively. Using projections from 18 CMIP6 climate models, we layered the LGBN on future climate forecasts to analyze survivability for current (2023-2025) and future years (2026-2100). Based on thresholds of WBGT above 31.1ยฐC and skin temperature above 35ยฐC, 32% of rickshaw pullers already face high heat exposure risk. By 2026-2030, this percentage may rise to 37% with average exposure lasting nearly 12 minutes, or about two-thirds of the trip duration. A thematic analysis of interviews complements these findings, showing that rickshaw pullers recognize their increasing climate vulnerability and express concern about its effects on health and occupational survivability.
Coordinate ascent neural Kalman-MLE for state estimation
Hanlon, Bettina, Fernandez, Angel Garcia
This paper presents a coordinate ascent algorithm to learn dynamic and measurement models in dynamic state estimation using maximum likelihood estimation in a supervised manner. In particular, the dynamic and measurement models are assumed to be Gaussian and the algorithm learns the neural network parameters that model the dynamic and measurement functions, and also the noise covariance matrices. The trained dynamic and measurement models are then used with a non-linear Kalman filter algorithm to estimate the state during the testing phase.
Lightweight Learning from Actuation-Space Demonstrations via Flow Matching for Whole-Body Soft Robotic Grasping
Yang, Liudi, Bai, Yang, Wang, Yuhao, Alsarraj, Ibrahim, Kutyniok, Gitta, Wang, Zhanchi, Wu, Ke
Abstract-- Robotic grasping under uncertainty remains a fundamental challenge due to its uncertain and contact-rich nature. Traditional rigid robotic hands, with limited degrees of freedom and compliance, rely on complex model-based and heavy feedback controllers to manage such interactions. Soft robots, by contrast, exhibit embodied mechanical intelligence: their underactuated structures and passive flexibility of their whole body, naturally accommodate uncertain contacts and enable adaptive behaviors. T o harness this capability, we propose a lightweight actuation-space learning framework that infers distributional control representations for whole-body soft robotic grasping, directly from deterministic demonstrations using a flow matching model (Rectified Flow), without requiring dense sensing or heavy control loops. Using only 30 demonstrations (less than 8% of the reachable workspace), the learned policy achieves a 97.5% grasp success rate across the whole workspace, generalizes to grasped-object size variations of 33%, and maintains stable performance when the robot's dynamic response is directly adjusted by scaling the execution time from 20% to 200%. These results demonstrate that actuation-space learning, by leveraging its passive redundant DOFs and flexibility, converts the body's mechanics into functional control intelligence and substantially reduces the burden on central controllers for this uncertain-rich task.
Bayesian Natural Gradient Fine-Tuning of CLIP Models via Kalman Filtering
Abdi, Hossein, Sun, Mingfei, Pan, Wei
Vision-language pre-trained models, such as CLIP, have established new benchmarks in multimodal data mining. In such models, few-shot fine-tuning is a major challenge to achieve optimal performance on both in-distribution (ID) and out-of-distribution (OOD) datasets, especially when labeled data is scarce. Most existing fine-tuning approaches rely on first-order gradient-based optimizers, which typically suffer from slow convergence, sensitivity to step-size hyperparameters, and poor generalization in OOD settings. In contrast, second-order methods utilize local curvature information of the loss landscape to adjust the update step size. This is particularly beneficial for CLIP models, whose non-convex loss functions often contain sharp critical points. In such cases, natural gradient direction can offer more substantial and efficient per-iteration updates when fine-tuning with limited data. Natural Gradient Descent (NGD) is obtained by preconditioning the standard gradient with the inverse Fisher Information Matrix (FIM), which is computationally expensive for large models. To address this, we propose a Bayesian approximation of NGD using a Kalman filter for CLIP models. Our method combines the benefits of second-order optimization with Bayesian inference, which enhances generalization while providing uncertainty quantification. Extensive experiments conducted on diverse image classification datasets demonstrate that our algorithm consistently achieves superior--or comparable--ID performance and improved OOD robustness compared to state-of-the-art baselines. To the best of our knowledge, this work represents the first successful application of Kalman filtering to fine-tuning CLIP-based models, which enables more robust and efficient learning in vision-language tasks.
Split-Flows: Measure Transport and Information Loss Across Molecular Resolutions
Hummerich, Sander, Bereau, Tristan, Kรถthe, Ullrich
By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for tasks that depend on atomistic accuracy, making backmapping a central challenge in molecular modeling. We introduce split-flows, a novel flow-based approach that reinterprets backmapping as a continuous-time measure transport across resolutions. Unlike existing generative strategies, split-flows establish a direct probabilistic link between resolutions, enabling expressive conditional sampling of atomistic structures and -- for the first time -- a tractable route to computing mapping entropies, an information-theoretic measure of the irreducible detail lost in coarse-graining. We demonstrate these capabilities on diverse molecular systems, including chignolin, a lipid bilayer, and alanine dipeptide, highlighting split-flows as a principled framework for accurate backmapping and systematic evaluation of coarse-grained models.
None To Optima in Few Shots: Bayesian Optimization with MDP Priors
Li, Diantong, Cho, Kyunghyun, Liu, Chong
Bayesian Optimization (BO) is an efficient tool for optimizing black-box functions, but its theoretical guarantees typically hold in the asymptotic regime. In many critical real-world applications such as drug discovery or materials design, where each evaluation can be very costly and time-consuming, BO becomes impractical for many evaluations. In this paper, we introduce the Procedure-inFormed BO (ProfBO) algorithm, which solves black-box optimization with remarkably few function evaluations. At the heart of our algorithmic design are Markov Decision Process (MDP) priors that model optimization trajectories from related source tasks, thereby capturing procedural knowledge on efficient optimization. We embed these MDP priors into a prior-fitted neural network and employ model-agnostic meta-learning for fast adaptation to new target tasks. Experiments on real-world Covid and Cancer benchmarks and hyperparameter tuning tasks demonstrate that ProfBO consistently outperforms state-of-the-art methods by achieving high-quality solutions with significantly fewer evaluations, making it ready for practical deployment.