Rafael Oliveira

Daniel M. Steinberg, Rafael Oliveira, Cheng Soon Ong et al.

We develop VSD, a method for conditioning a generative model of discrete, combinatorial designs on a rare desired class by efficiently evaluating a black-box (e.g. experiment, simulation) in a batch sequential manner. We call this task active generation; we formalize active generation's requirements and desiderata, and formulate a solution via variational inference. VSD uses off-the-shelf gradient based optimization routines, can learn powerful generative models for desirable designs, and can take advantage of scalable predictive models. We derive asymptotic convergence rates for learning the true conditional generative distribution of designs with certain configurations of our method. After illustrating the generative model on images, we empirically demonstrate that VSD can outperform existing baseline methods on a set of real sequence-design problems in various protein and DNA/RNA engineering tasks.

Carter Adams, Rafael Oliveira, Gabriel Almeida et al.

Reinforcement fine-tuning with verifiable rewards (RLVR) has emerged as a powerful paradigm for equipping large vision-language models (LVLMs) with agentic capabilities such as tool use and multi-step reasoning. Despite striking empirical successes, most notably Visual Agentic Reinforcement Fine-Tuning (Visual-ARFT), the theoretical underpinnings of this paradigm remain poorly understood. In particular, two critical questions lack rigorous answers: (i)~how does the composite structure of verifiable rewards (format compliance, answer accuracy, tool executability) affect the convergence of Group Relative Policy Optimization (GRPO), and (ii)~why does training on a small set of tool-augmented tasks transfer to out-of-distribution domains? We address these gaps by introducing the \emph{Tool-Augmented Markov Decision Process} (TA-MDP), a formal framework that models multimodal agentic decision-making with bounded-depth tool calls. Within this framework, we establish three main results. First, we prove that GRPO under composite verifiable rewards converges to a first-order stationary point at rate $O(1/\sqrt{T})$ with explicit dependence on the number of reward components and group size (\textbf{Theorem~1}). Second, we derive a \emph{Reward Decomposition Theorem} that bounds the sub-optimality gap between decomposed per-component optimization and joint optimization, providing a precise characterization of when reward decomposition is beneficial (\textbf{Theorem~2}). Third, we establish a PAC-Bayes generalization bound for tool-augmented policies that explains the strong out-of-distribution transfer observed in Visual-ARFT (\textbf{Theorem~3}).

Rafael Oliveira, Xuesong Wang, Kian Ming A. Chai et al.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

Rafael Oliveira, Dino Sejdinovic, David Howard et al.

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current machine learning approaches, however, mostly rely on rerunning simulations over a fixed set of designs available in the observed data, potentially neglecting informative correlations across the design space and requiring a large amount of simulations. Instead, we consider the calibration process from the perspective of Bayesian adaptive experimental design and propose a data-efficient algorithm to run maximally informative simulations within a batch-sequential process. At each round, the algorithm jointly estimates the parameters of the posterior distribution and optimal designs by maximising a variational lower bound of the expected information gain. The simulator is modelled as a sample from a Gaussian process, which allows us to correlate simulations and observed data with the unknown calibration parameters. We show the benefits of our method when compared to related approaches across synthetic and real-data problems.

Lucas Barcelos, Alexander Lambert, Rafael Oliveira et al.

Model predictive control (MPC) schemes have a proven track record for delivering aggressive and robust performance in many challenging control tasks, coping with nonlinear system dynamics, constraints, and observational noise. Despite their success, these methods often rely on simple control distributions, which can limit their performance in highly uncertain and complex environments. MPC frameworks must be able to accommodate changing distributions over system parameters, based on the most recent measurements. In this paper, we devise an implicit variational inference algorithm able to estimate distributions over model parameters and control inputs on-the-fly. The method incorporates Stein Variational gradient descent to approximate the target distributions as a collection of particles, and performs updates based on a Bayesian formulation. This enables the approximation of complex multi-modal posterior distributions, typically occurring in challenging and realistic robot navigation tasks. We demonstrate our approach on both simulated and real-world experiments requiring real-time execution in the face of dynamically changing environments.

Anthony Tompkins, Rafael Oliveira, Fabio Ramos

We establish a general form of explicit, input-dependent, measure-valued warpings for learning nonstationary kernels. While stationary kernels are ubiquitous and simple to use, they struggle to adapt to functions that vary in smoothness with respect to the input. The proposed learning algorithm warps inputs as conditional Gaussian measures that control the smoothness of a standard stationary kernel. This construction allows us to capture non-stationary patterns in the data and provides intuitive inductive bias. The resulting method is based on sparse spectrum Gaussian processes, enabling closed-form solutions, and is extensible to a stacked construction to capture more complex patterns. The method is extensively validated alongside related algorithms on synthetic and real world datasets. We demonstrate a remarkable efficiency in the number of parameters of the warping functions in learning problems with both small and large data regimes.

Lucas Barcelos, Rafael Oliveira, Rafael Possas et al.

Accurate simulation of complex physical systems enables the development, testing, and certification of control strategies before they are deployed into the real systems. As simulators become more advanced, the analytical tractability of the differential equations and associated numerical solvers incorporated in the simulations diminishes, making them difficult to analyse. A potential solution is the use of probabilistic inference to assess the uncertainty of the simulation parameters given real observations of the system. Unfortunately the likelihood function required for inference is generally expensive to compute or totally intractable. In this paper we propose to leverage the power of modern simulators and recent techniques in Bayesian statistics for likelihood-free inference to design a control framework that is efficient and robust with respect to the uncertainty over simulation parameters. The posterior distribution over simulation parameters is propagated through a potentially non-analytical model of the system with the unscented transform, and a variant of the information theoretical model predictive control. This approach provides a more efficient way to evaluate trajectory roll outs than Monte Carlo sampling, reducing the online computation burden. Experiments show that the controller proposed attained superior performance and robustness on classical control and robotics tasks when compared to models not accounting for the uncertainty over model parameters.

Rafael Oliveira, Lionel Ott, Fabio Ramos

Bayesian optimisation (BO) has been a successful approach to optimise functions which are expensive to evaluate and whose observations are noisy. Classical BO algorithms, however, do not account for errors about the location where observations are taken, which is a common issue in problems with physical components. In these cases, the estimation of the actual query location is also subject to uncertainty. In this context, we propose an upper confidence bound (UCB) algorithm for BO problems where both the outcome of a query and the true query location are uncertain. The algorithm employs a Gaussian process model that takes probability distributions as inputs. Theoretical results are provided for both the proposed algorithm and a conventional UCB approach within the uncertain-inputs setting. Finally, we evaluate each method's performance experimentally, comparing them to other input noise aware BO approaches on simulated scenarios involving synthetic and real data.

Rafael Oliveira, Lionel Ott, Vitor Guizilini et al.

In outdoor environments, mobile robots are required to navigate through terrain with varying characteristics, some of which might significantly affect the integrity of the platform. Ideally, the robot should be able to identify areas that are safe for navigation based on its own percepts about the environment while avoiding damage to itself. Bayesian optimisation (BO) has been successfully applied to the task of learning a model of terrain traversability while guiding the robot through more traversable areas. An issue, however, is that localisation uncertainty can end up guiding the robot to unsafe areas and distort the model being learnt. In this paper, we address this problem and present a novel method that allows BO to consider localisation uncertainty by applying a Gaussian process model for uncertain inputs as a prior. We evaluate the proposed method in simulation and in experiments with a real robot navigating over rough terrain and compare it against standard BO methods.