All simulations were based on pytorch [5]. For the nonlinear neuroscience tasks, we applied the gradient descent method "Adam" [4] to the recurrent weights W as well as to the input and output vectors mi, wi. We checked that our results did not depend qualitatively on the choice of the "Adam" algorithm over plain gradient descent; however, training converged more easily for this choice of algorithm. We also checked that restricting training to W only (as for the simple model) did not alter our results qualitatively (although, with this restriction, training on the Romo task for small values of g did not converge). Code for reproducing our results can be found on https://github.com/frschu/neurips_

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require knowledge of physical parameters, such as material properties. In contrast, data-driven approaches like Graph Network Simulators (GNSs) offer faster inference but suffer from two key limitations: Firstly, they must be retrained from scratch for even minor variations in physical parameters, and secondly they require labor-intensive data collection for each new parameter setting. This is inefficient, as simulations with varying parameters often share a common underlying latent structure. In this work, we address these challenges by learning this shared structure through meta-learning, enabling fast adaptation to new physical parameters without retraining. To this end, we propose a novel architecture that generates a latent representation by encoding graph trajectories using conditional neural processes (CNPs). To mitigate error accumulation over time, we combine CNPs with a novel neural operator architecture. We validate our approach, Meta Neural Graph Operator (MaNGO), on several dynamics prediction tasks with varying material properties, demonstrating superior performance over existing GNS methods. Notably, MaNGO achieves accuracy on unseen material properties close to that of an oracle model.

Black-box simulators are widely used in robotics, but optimizing their parameters remains challenging due to inaccessible likelihoods. Simulation-Based Inference (SBI) tackles this issue using simulation-driven approaches, estimating the posterior from offline real observations and forward simulations. However, in black-box scenarios, preparing observations that contain sufficient information for parameter estimation is difficult due to the unknown relationship between parameters and observations. In this work, we present Active Simulation-Based Inference (ASBI), a parameter estimation framework that uses robots to actively collect real-world online data to achieve accurate black-box simulator tuning. Our framework optimizes robot actions to collect informative observations by maximizing information gain, which is defined as the expected reduction in Shannon entropy between the posterior and the prior. While calculating information gain requires the likelihood, which is inaccessible in black-box simulators, our method solves this problem by leveraging Neural Posterior Estimation (NPE), which leverages a neural network to learn the posterior estimator. Three simulation experiments quantitatively verify that our method achieves accurate parameter estimation, with posteriors sharply concentrated around the true parameters. Moreover, we show a practical application using a real robot to estimate the simulation parameters of cubic particles corresponding to two real objects, beads and gravel, with a bucket pouring action.

Effective surrogate models are critical for accelerating scientific simulations. Implicit neural representations (INRs) offer a compact and continuous framework for modeling spatially structured data, but they often struggle with complex scientific fields exhibiting localized, high-frequency variations. Recent approaches address this by introducing additional features along rigid geometric structures (e.g., grids), but at the cost of flexibility and increased model size. In this paper, we propose a simple yet effective alternative: Feature-Adaptive INR (FA-INR). FA-INR leverages cross-attention to an augmented memory bank to learn flexible feature representations, enabling adaptive allocation of model capacity based on data characteristics, rather than rigid structural assumptions. To further improve scalability, we introduce a coordinate-guided mixture of experts (MoE) that enhances the specialization and efficiency of feature representations. Experiments on three large-scale ensemble simulation datasets show that FA-INR achieves state-of-the-art fidelity while significantly reducing model size, establishing a new trade-off frontier between accuracy and compactness for INR-based surrogates.

Autonomous manipulation of powders remains a significant challenge for robotic automation in scientific laboratories. The inherent variability and complex physical interactions of powders in flow, coupled with variability in laboratory conditions necessitates adaptive automation. This work introduces FLIP, a flowability-informed powder weighing framework designed to enhance robotic policy learning for granular material handling. Our key contribution lies in using material flowability, quantified by the angle of repose, to optimise physics-based simulations through Bayesian inference. This yields material-specific simulation environments capable of generating accurate training data, which reflects diverse powder behaviours, for training "robot chemists". Building on this, FLIP integrates quantified flowability into a curriculum learning strategy, fostering efficient acquisition of robust robotic policies by gradually introducing more challenging, less flowable powders. We validate the efficacy of our method on a robotic powder weighing task under real-world laboratory conditions. Experimental results show that FLIP with a curriculum strategy achieves a low dispensing error of 2.12 +/- 1.53 mg, outperforming methods that do not leverage flowability data, such as domain randomisation (6.11 +/- 3.92 mg). These results demonstrate FLIP's improved ability to generalise to previously unseen, more cohesive powders and to new target masses.

-- Research in manipulation of deformable objects is typically conducted on a limited range of scenarios, because handling each scenario on hardware takes significant effort. Realistic simulators with support for various types of deformations and interactions have the potential to speed up experimentation with novel tasks and algorithms. However, for highly deformable objects it is challenging to align the output of a simulator with the behavior of real objects. Manual tuning is not intuitive, hence automated methods are needed. We view this alignment problem as a joint perception-inference challenge and demonstrate how to use recent neural network architectures to successfully perform simulation parameter inference from real point clouds. We analyze the performance of various architectures, comparing their data and training requirements. Furthermore, we propose to leverage differentiable point cloud sampling and differentiable simulation to significantly reduce the time to achieve the alignment. We employ an efficient way to propagate gradients from point clouds to simulated meshes and further through to the physical simulation parameters, such as mass and stiffness. Experiments with highly deformable objects show that our method can achieve comparable or better alignment with real object behavior, while reducing the time needed to achieve this by more than an order of magnitude. Videos and supplementary material are available at diffcloud.github.io. We consider the real-to-sim problem of inferring parameters of general-purpose simulators from real observations such that the gap between reality and simulation is reduced [1]-[4].

-- This paper proposes a novel alternative to existing sim-to-real methods for training control policies with simulated experiences. Prior sim-to-real methods for legged robots mostly rely on the domain randomization approach, where a fixed finite set of simulation parameters is randomized during training. Instead, our method adds state-dependent perturbations to the input joint torque used for forward simulation during the training phase. These state-dependent perturbations are designed to simulate a broader range of reality gaps than those captured by randomizing a fixed set of simulation parameters. Experimental results show that our method enables humanoid locomotion policies that achieve greater robustness against complex reality gaps unseen in the training domain. Deep Reinforcement Learning (DRL) for robotic applications has gained significant attention due to its demonstrated robustness and versatility. Although DRL algorithms are capable of solving complex, high-dimensional control problems, commonly used on-policy methods often require a prohibitively large amount of data, posing a substantial challenge when collecting sufficient samples solely from real hardware. Moreover, the exploration process required for policy improvement in early training stages can raise safety concerns for both the physical robot and its operational environment.

Surrogate models, crucial for approximating complex simulation data across sciences, inherently carry uncertainties that range from simulation noise to model prediction errors. Without rigorous uncertainty quantification, predictions become unreliable and hence hinder analysis. While methods like Monte Carlo dropout and ensemble models exist, they are often costly, fail to isolate uncertainty types, and lack guaranteed coverage in prediction intervals. To address this, we introduce ConfEviSurrogate, a novel Conformalized Evidential Surrogate Model that can efficiently learn high-order evidential distributions, directly predict simulation outcomes, separate uncertainty sources, and provide prediction intervals. A conformal prediction-based calibration step further enhances interval reliability to ensure coverage and improve efficiency. Our ConfEviSurrogate demonstrates accurate predictions and robust uncertainty estimates in diverse simulations, including cosmology, ocean dynamics, and fluid dynamics.