Tobias Pfaff

Kelsey R. Allen, Yulia Rubanova, Tatiana Lopez-Guevara et al. · deepmind

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate complex physical dynamics, such as fluids, cloth and articulated bodies, they have been less effective and efficient on rigid-body physics, except with very simple shapes. Existing methods that model collisions through the meshes' nodes are often inaccurate because they struggle when collisions occur on faces far from nodes. Alternative approaches that represent the geometry densely with many particles are prohibitively expensive for complex shapes. Here we introduce the Face Interaction Graph Network (FIGNet) which extends beyond GNN-based methods, and computes interactions between mesh faces, rather than nodes. Compared to learned node- and particle-based methods, FIGNet is around 4x more accurate in simulating complex shape interactions, while also 8x more computationally efficient on sparse, rigid meshes. Moreover, FIGNet can learn frictional dynamics directly from real-world data, and can be more accurate than analytical solvers given modest amounts of training data. FIGNet represents a key step forward in one of the few remaining physical domains which have seen little competition from learned simulators, and offers allied fields such as robotics, graphics and mechanical design a new tool for simulation and model-based planning.

Aarti Basant, Amlan Kar, Despoina Paschalidou et al. · nvidia

As autonomous vehicle capabilities advance, the safe evaluation of driving policies in long-tail scenarios remains a critical bottleneck. In closed-loop simulation, the driving policy model actively interacts with the environment, where its actions dynamically update the simulator state and directly influence the next set of generated sensor observations. While recent reconstruction-based neural simulators offer photorealism, they are fundamentally constrained by their initial captured data and struggle to generalize to highly dynamic or novel scenes. To overcome these limitations, we introduce OmniDreams, a foundation generative world model mid- and post-trained from the Cosmos diffusion model to autoregressively generate action-conditioned videos in real time. By leveraging the rich visual priors of Cosmos and mid- and post-training on 21k hours of driving scenarios, OmniDreams synthesizes complex, unobserved phenomena that are hard for traditional simulators to capture, such as extreme weather and unpredictable dynamic agent behaviors. Crucially, it autoregressively conditions its photorealistic sensor generation on past frames, the current simulator state, and immediate driving actions. Deployed in a closed-loop system with the Alpamayo 1 policy model and AlpaSim orchestrator, OmniDreams acts as a highly responsive, reactive environment, providing a scalable and comprehensive solution for training and evaluating next-generation autonomous driving policies. We additionally show preliminary results indicating that a world-action model (WAM) post-trained from OmniDreams achieves strong performance on the Physical AI Autonomous Vehicles NuRec dataset, surpassing the VLA-based Alpamayo 1.5 research policy model while using only 1/5 the total parameters. These results highlight the potential for a real-time world model like OmniDreams to also serve as a backbone for policy architectures.

Meire Fortunato, Tobias Pfaff, Peter Wirnsberger et al.

In recent years, there has been a growing interest in using machine learning to overcome the high cost of numerical simulation, with some learned models achieving impressive speed-ups over classical solvers whilst maintaining accuracy. However, these methods are usually tested at low-resolution settings, and it remains to be seen whether they can scale to the costly high-resolution simulations that we ultimately want to tackle. In this work, we propose two complementary approaches to improve the framework from MeshGraphNets, which demonstrated accurate predictions in a broad range of physical systems. MeshGraphNets relies on a message passing graph neural network to propagate information, and this structure becomes a limiting factor for high-resolution simulations, as equally distant points in space become further apart in graph space. First, we demonstrate that it is possible to learn accurate surrogate dynamics of a high-resolution system on a much coarser mesh, both removing the message passing bottleneck and improving performance; and second, we introduce a hierarchical approach (MultiScale MeshGraphNets) which passes messages on two different resolutions (fine and coarse), significantly improving the accuracy of MeshGraphNets while requiring less computational resources.

Yingxue Zhao, Haoran Li, Haosu Zhou et al.

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these challenges by adeptly learning from graph data with irregular underlying structures. Consequently, recent years have witnessed a surge in complex mechanics-related applications inspired by the advancements of GNNs. Despite this process, there is a notable absence of a systematic review addressing the recent advancement of GNNs in solving mechanics-related problems. To bridge this gap, this review article aims to provide an in-depth overview of the GNN applications in mechanics-related domains while identifying key challenges and outlining potential future research directions. In this review article, we begin by introducing the fundamental algorithms of GNNs that are widely employed in mechanics-related applications. We provide a concise explanation of their underlying principles to establish a solid understanding that will serve as a basis for exploring the applications of GNNs in mechanics-related domains. The scope of this paper is intended to cover the categorisation of literature into solid mechanics, fluid mechanics, and interdisciplinary mechanics-related domains, providing a comprehensive summary of graph representation methodologies, GNN architectures, and further discussions in their respective subdomains. Additionally, open data and source codes relevant to these applications are summarised for the convenience of future researchers. This article promotes an interdisciplinary integration of GNNs and mechanics and provides a guide for researchers interested in applying GNNs to solve complex mechanics-related problems.

Xuanchi Ren, Yifan Lu, Tianshi Cao et al. · nvidia, utoronto

Collecting and annotating real-world data for safety-critical physical AI systems, such as Autonomous Vehicle (AV), is time-consuming and costly. It is especially challenging to capture rare edge cases, which play a critical role in training and testing of an AV system. To address this challenge, we introduce the Cosmos-Drive-Dreams - a synthetic data generation (SDG) pipeline that aims to generate challenging scenarios to facilitate downstream tasks such as perception and driving policy training. Powering this pipeline is Cosmos-Drive, a suite of models specialized from NVIDIA Cosmos world foundation model for the driving domain and are capable of controllable, high-fidelity, multi-view, and spatiotemporally consistent driving video generation. We showcase the utility of these models by applying Cosmos-Drive-Dreams to scale the quantity and diversity of driving datasets with high-fidelity and challenging scenarios. Experimentally, we demonstrate that our generated data helps in mitigating long-tail distribution problems and enhances generalization in downstream tasks such as 3D lane detection, 3D object detection and driving policy learning. We open source our pipeline toolkit, dataset and model weights through the NVIDIA's Cosmos platform. Project page: https://research.nvidia.com/labs/toronto-ai/cosmos_drive_dreams

Imagen-Team-Google, Jason Baldridge, Jakob Bauer et al.

We introduce Imagen 3, a latent diffusion model that generates high quality images from text prompts. We describe our quality and responsibility evaluations. Imagen 3 is preferred over other state-of-the-art (SOTA) models at the time of evaluation. In addition, we discuss issues around safety and representation, as well as methods we used to minimize the potential harm of our models.

Yingxue Zhao, Haoran Li, Haosu Zhou et al.

Finite element simulations of large-deformation sheet material forming involve node-element coupling between nodal kinematics and element-level deformation measures. Machine-learning surrogates can accelerate such simulations, but most graph-based models use node-centred representations. This representation is indirect for element-level quantities, which are often recovered from nodal predictions by interpolation or post-processing. It may also obscure the node-element coupling structure that underlies the finite element update. This work proposes a cross-attention-based bipartite graph neural network (CAtt-BiGNN) for coupled prediction of nodal displacement increments and elemental thinning. The graph represents mesh nodes and elements as distinct but connected entities, linked by directed node-element edges, so that nodal and elemental fields are predicted on their native discretisation domains. An edge-aware cross-attention processor conditions adaptive node-element coupling weights on geometric edge features, enabling bidirectional message passing between nodal kinematic states and elemental deformation states. A hierarchical extension, CAtt-BiUGNN, combines the CAtt-BiGNN with graph downsampling-upsampling to improve information propagation on larger meshes. Adaptive Gaussian noise is further evaluated as an optional rollout-stabilisation strategy. The models are tested on two representative forming cases with different graph sizes. CAtt-BiGNN improves the balance between displacement and thinning prediction relative to node-centred baselines and bipartite ablation variants, while CAtt-BiUGNN gives the strongest overall performance in the larger-graph setting. The results indicate that the proposed model provides an effective surrogate framework for large-deformation sheet material forming.

Haoran Li, Tobias Lehrer, Yingxue Zhao et al.

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative. Message-passing GNNs are widely used for mesh simulation, and their shared node and edge update functions are relatively generalisable across varying graph structures. By contrast, non-shareable edge-specific aggregation layers can capture nonlinear relationships more accurately but usually require fixed graph connectivity, which limits generalisability. This paper presents Mask-Morph Graph U-Net (MMGUNet), a practical approach to addressing the limitation of hierarchical Graph U-Net architectures that use edge-specific downsampling and upsampling layers. Fixed coarse graph connectivity is required for edge-specific layers. To retain this while improving spatial correspondence, the proposed method morphs the coarsened graph hierarchy to each input mesh using feature-aligned barycentric parameterisation before constructing cross-graph edges. It further applies node masking during supervised pretraining, followed by parameter-efficient fine-tuning in which high-parameter edge-specific layers are frozen. The proposed approach is evaluated in in-distribution, out-of-distribution, and cross-component transfer settings using mean Euclidean distance and maximum intrusion percentage error. Results show that coarse-graph morphing improves test accuracy relative to a fixed-coarse-graph baseline, while masked supervised pretraining reduces the train-test discrepancy and improves data efficiency during transfer. The proposed model also achieves lower prediction error compared with external baselines. These results demonstrate a practical route toward reusable, data-efficient mesh-based surrogate modelling for crashworthiness design exploration.

Daniel Geng, Charles Herrmann, Junhwa Hur et al.

Motion control is crucial for generating expressive and compelling video content; however, most existing video generation models rely mainly on text prompts for control, which struggle to capture the nuances of dynamic actions and temporal compositions. To this end, we train a video generation model conditioned on spatio-temporally sparse or dense motion trajectories. In contrast to prior motion conditioning work, this flexible representation can encode any number of trajectories, object-specific or global scene motion, and temporally sparse motion; due to its flexibility we refer to this conditioning as motion prompts. While users may directly specify sparse trajectories, we also show how to translate high-level user requests into detailed, semi-dense motion prompts, a process we term motion prompt expansion. We demonstrate the versatility of our approach through various applications, including camera and object motion control, "interacting" with an image, motion transfer, and image editing. Our results showcase emergent behaviors, such as realistic physics, suggesting the potential of motion prompts for probing video models and interacting with future generative world models. Finally, we evaluate quantitatively, conduct a human study, and demonstrate strong performance. Video results are available on our webpage: https://motion-prompting.github.io/

Mario Lino, Tobias Pfaff, Nils Thuerey

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which relevant statistics (e.g., RMS and two-point correlations) can be derived. Here, we propose a graph-based latent diffusion (or alternatively, flow-matching) model that enables direct sampling of states from their equilibrium distribution, given a mesh discretization of the system and its physical parameters. This allows for the efficient computation of flow statistics without running long and expensive numerical simulations. The graph-based structure enables operations on unstructured meshes, which is critical for representing complex geometries with spatially localized high gradients, while latent-space diffusion modeling with a multi-scale GNN allows for efficient learning and inference of entire distributions of solutions. A key finding is that the proposed networks can accurately learn full distributions even when trained on incomplete data from relatively short simulations. We apply this method to a range of fluid dynamics tasks, such as predicting pressure distributions on 3D wing models in turbulent flow, demonstrating both accuracy and computational efficiency in challenging scenarios. The ability to directly sample accurate solutions, and capturing their diversity from short ground-truth simulations, is highly promising for complex scientific modeling tasks.

William F. Whitney, Tatiana Lopez-Guevara, Tobias Pfaff et al. · deepmind

Realistic simulation is critical for applications ranging from robotics to animation. Traditional analytic simulators sometimes struggle to capture sufficiently realistic simulation which can lead to problems including the well known "sim-to-real" gap in robotics. Learned simulators have emerged as an alternative for better capturing real-world physical dynamics, but require access to privileged ground truth physics information such as precise object geometry or particle tracks. Here we propose a method for learning simulators directly from observations. Visual Particle Dynamics (VPD) jointly learns a latent particle-based representation of 3D scenes, a neural simulator of the latent particle dynamics, and a renderer that can produce images of the scene from arbitrary views. VPD learns end to end from posed RGB-D videos and does not require access to privileged information. Unlike existing 2D video prediction models, we show that VPD's 3D structure enables scene editing and long-term predictions. These results pave the way for downstream applications ranging from video editing to robotic planning.

Yulia Rubanova, Tatiana Lopez-Guevara, Kelsey R. Allen et al. · deepmind

Simulating large scenes with many rigid objects is crucial for a variety of applications, such as robotics, engineering, film and video games. Rigid interactions are notoriously hard to model: small changes to the initial state or the simulation parameters can lead to large changes in the final state. Recently, learned simulators based on graph networks (GNNs) were developed as an alternative to hand-designed simulators like MuJoCo and PyBullet. They are able to accurately capture dynamics of real objects directly from real-world observations. However, current state-of-the-art learned simulators operate on meshes and scale poorly to scenes with many objects or detailed shapes. Here we present SDF-Sim, the first learned rigid-body simulator designed for scale. We use learned signed-distance functions (SDFs) to represent the object shapes and to speed up distance computation. We design the simulator to leverage SDFs and avoid the fundamental bottleneck of the previous simulators associated with collision detection. For the first time in literature, we demonstrate that we can scale the GNN-based simulators to scenes with hundreds of objects and up to 1.1 million nodes, where mesh-based approaches run out of memory. Finally, we show that SDF-Sim can be applied to real world scenes by extracting SDFs from multi-view images.

Tatiana Lopez-Guevara, Yulia Rubanova, William F. Whitney et al. · deepmind

Accurately simulating real world object dynamics is essential for various applications such as robotics, engineering, graphics, and design. To better capture complex real dynamics such as contact and friction, learned simulators based on graph networks have recently shown great promise. However, applying these learned simulators to real scenes comes with two major challenges: first, scaling learned simulators to handle the complexity of real world scenes which can involve hundreds of objects each with complicated 3D shapes, and second, handling inputs from perception rather than 3D state information. Here we introduce a method which substantially reduces the memory required to run graph-based learned simulators. Based on this memory-efficient simulation model, we then present a perceptual interface in the form of editable NeRFs which can convert real-world scenes into a structured representation that can be processed by graph network simulator. We show that our method uses substantially less memory than previous graph-based simulators while retaining their accuracy, and that the simulators learned in synthetic environments can be applied to real world scenes captured from multiple camera angles. This paves the way for expanding the application of learned simulators to settings where only perceptual information is available at inference time.

Haoran Li, Yingxue Zhao, Haosu Zhou et al.

During the design cycle of safety critical vehicle components such as B-pillars, crashworthiness performance is a key metric for passenger protection assessment in vehicle accidents. Traditional finite element simulations for crashworthiness analysis involve complex modelling, leading to an increased computational demand. Although a few machine learning-based surrogate models have been developed for rapid predictions for crashworthiness analysis, they exhibit limitations in detailed representation of complex 3D components. Graph Neural Networks (GNNs) have emerged as a promising solution for processing data with complex structures. However, existing GNN models often lack sufficient accuracy and computational efficiency to meet industrial demands. This paper proposes Recurrent Graph U-Net (ReGUNet), a new graph-based surrogate model for crashworthiness analysis of vehicle panel components. ReGUNet adoptes a U-Net architecture with multiple graph downsampling and upsampling layers, which improves the model's computational efficiency and accuracy; the introduction of recurrence enhances the accuracy and stability of temporal predictions over multiple time steps. ReGUNet is evaluated through a case study of side crash testing of a B-pillar component with variation in geometric design. The trained model demonstrates great accuracy in predicting the dynamic behaviour of previously unseen component designs within a relative error of 0.74% for the maximum B-pillar intrusion. Compared to the baseline models, ReGUNet can reduce the averaged mean prediction error of the component's deformation by more than 51% with significant improvement in computational efficiency. Provided enhanced accuracy and efficiency, ReGUNet shows greater potential in accurate predictions of large and complex graphs compared to existing models.

Chunyang Wang, Linqi Zhu, Yuxuan Gu et al.

Multiphase flow in porous media underpins subsurface energy and environmental technologies, including geological CO$_2$ storage and underground hydrogen storage, yet pore-scale dynamics in realistic three-dimensional materials remain difficult to characterize and predict. Here we introduce a multimodal learning framework that infers multiphase pore-scale flow directly from time-resolved four-dimensional (4D) micro-velocimetry measurements. The model couples a graph network simulator for Lagrangian tracer-particle motion with a 3D U-Net for voxelized interface evolution. The imaged pore geometry serves as a boundary constraint to the flow velocity and the multiphase interface predictions, which are coupled and updated iteratively at each time step. Trained autoregressively on experimental sequences in capillary-dominated conditions ($Ca\approx10^{-6}$), the learned surrogate captures transient, nonlocal flow perturbations and abrupt interface rearrangements (Haines jumps) over rollouts spanning seconds of physical time, while reducing hour-to-day--scale direct numerical simulations to seconds of inference. By providing rapid, experimentally informed predictions, the framework opens a route to ''digital experiments'' to replicate pore-scale physics observed in multiphase flow experiments, offering an efficient tool for exploring injection conditions and pore-geometry effects relevant to subsurface carbon and hydrogen storage.

Yingxue Zhao, Qianyi Chen, Haoran Li et al.

In recent years, various artificial intelligence-based surrogate models have been proposed to provide rapid manufacturability predictions of material forming processes. However, traditional AI-based surrogate models, typically built with scalar or image-based neural networks, are limited in their ability to capture complex 3D spatial relationships and to operate in a permutation-invariant manner. To overcome these issues, emerging graph-based surrogate models are developed using graph neural networks. This study developed a new graph neural network surrogate model named Recurrent U Net-based Graph Neural Network (RUGNN). The RUGNN model can achieve accurate predictions of sheet material deformation fields across multiple forming timesteps. The RUGNN model incorporates Gated Recurrent Units (GRUs) to model temporal dynamics and a U-Net inspired graph-based downsample/upsample mechanism to handle spatial long-range dependencies. A novel 'node-to-surface' contact representation method was proposed, offering significant improvements in computational efficiency for large-scale contact interactions. The RUGNN model was validated using a cold forming case study and a more complex hot forming case study using aluminium alloys. Results demonstrate that the RUGNN model provides accurate deformation predictions closely matching ground truth FE simulations and outperforming several baseline GNN architectures. Model tuning was also performed to identify suitable hyperparameters, training strategies, and input feature representations. These results demonstrate that RUGNN is a reliable approach to support sheet material forming design by enabling accurate manufacturability predictions.

Kelsey R. Allen, Tatiana Lopez-Guevara, Kimberly Stachenfeld et al.

Designing physical artifacts that serve a purpose - such as tools and other functional structures - is central to engineering as well as everyday human behavior. Though automating design has tremendous promise, general-purpose methods do not yet exist. Here we explore a simple, fast, and robust approach to inverse design which combines learned forward simulators based on graph neural networks with gradient-based design optimization. Our approach solves high-dimensional problems with complex physical dynamics, including designing surfaces and tools to manipulate fluid flows and optimizing the shape of an airfoil to minimize drag. This framework produces high-quality designs by propagating gradients through trajectories of hundreds of steps, even when using models that were pre-trained for single-step predictions on data substantially different from the design tasks. In our fluid manipulation tasks, the resulting designs outperformed those found by sampling-based optimization techniques. In airfoil design, they matched the quality of those obtained with a specialized solver. Our results suggest that despite some remaining challenges, machine learning-based simulators are maturing to the point where they can support general-purpose design optimization across a variety of domains.

Xu Han, Han Gao, Tobias Pfaff et al.

Graph-based next-step prediction models have recently been very successful in modeling complex high-dimensional physical systems on irregular meshes. However, due to their short temporal attention span, these models suffer from error accumulation and drift. In this paper, we propose a new method that captures long-term dependencies through a transformer-style temporal attention model. We introduce an encoder-decoder structure to summarize features and create a compact mesh representation of the system state, to allow the temporal model to operate on a low-dimensional mesh representations in a memory efficient manner. Our method outperforms a competitive GNN baseline on several complex fluid dynamics prediction tasks, from sonic shocks to vascular flow. We demonstrate stable rollouts without the need for training noise and show perfectly phase-stable predictions even for very long sequences. More broadly, we believe our approach paves the way to bringing the benefits of attention-based sequence models to solving high-dimensional complex physics tasks.

Kimberly Stachenfeld, Drummond B. Fielding, Dmitrii Kochkov et al.

Turbulence simulation with classical numerical solvers requires high-resolution grids to accurately resolve dynamics. Here we train learned simulators at low spatial and temporal resolutions to capture turbulent dynamics generated at high resolution. We show that our proposed model can simulate turbulent dynamics more accurately than classical numerical solvers at the comparably low resolutions across various scientifically relevant metrics. Our model is trained end-to-end from data and is capable of learning a range of challenging chaotic and turbulent dynamics at low resolution, including trajectories generated by the state-of-the-art Athena++ engine. We show that our simpler, general-purpose architecture outperforms various more specialized, turbulence-specific architectures from the learned turbulence simulation literature. In general, we see that learned simulators yield unstable trajectories; however, we show that tuning training noise and temporal downsampling solves this problem. We also find that while generalization beyond the training distribution is a challenge for learned models, training noise, added loss constraints, and dataset augmentation can help. Broadly, we conclude that our learned simulator outperforms traditional solvers run on coarser grids, and emphasize that simple design choices can offer stability and robust generalization.

Yulia Rubanova, Alvaro Sanchez-Gonzalez, Tobias Pfaff et al.

In the area of physical simulations, nearly all neural-network-based methods directly predict future states from the input states. However, many traditional simulation engines instead model the constraints of the system and select the state which satisfies them. Here we present a framework for constraint-based learned simulation, where a scalar constraint function is implemented as a graph neural network, and future predictions are computed by solving the optimization problem defined by the learned constraint. Our model achieves comparable or better accuracy to top learned simulators on a variety of challenging physical domains, and offers several unique advantages. We can improve the simulation accuracy on a larger system by applying more solver iterations at test time. We also can incorporate novel hand-designed constraints at test time and simulate new dynamics which were not present in the training data. Our constraint-based framework shows how key techniques from traditional simulation and numerical methods can be leveraged as inductive biases in machine learning simulators.

Dmitrii Kochkov, Tobias Pfaff, Alvaro Sanchez-Gonzalez et al.

Solving for the lowest energy eigenstate of the many-body Schrodinger equation is a cornerstone problem that hinders understanding of a variety of quantum phenomena. The difficulty arises from the exponential nature of the Hilbert space which casts the governing equations as an eigenvalue problem of exponentially large, structured matrices. Variational methods approach this problem by searching for the best approximation within a lower-dimensional variational manifold. In this work we use graph neural networks to define a structured variational manifold and optimize its parameters to find high quality approximations of the lowest energy solutions on a diverse set of Heisenberg Hamiltonians. Using graph networks we learn distributed representations that by construction respect underlying physical symmetries of the problem and generalize to problems of larger size. Our approach achieves state-of-the-art results on a set of quantum many-body benchmark problems and works well on problems whose solutions are not positive-definite. The discussed techniques hold promise of being a useful tool for studying quantum many-body systems and providing insights into optimization and implicit modeling of exponentially-sized objects.

Tobias Pfaff, Meire Fortunato, Alvaro Sanchez-Gonzalez et al.

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike favorable trade-offs between accuracy and efficiency. However, high-dimensional scientific simulations are very expensive to run, and solvers and parameters must often be tuned individually to each system studied. Here we introduce MeshGraphNets, a framework for learning mesh-based simulations using graph neural networks. Our model can be trained to pass messages on a mesh graph and to adapt the mesh discretization during forward simulation. Our results show it can accurately predict the dynamics of a wide range of physical systems, including aerodynamics, structural mechanics, and cloth. The model's adaptivity supports learning resolution-independent dynamics and can scale to more complex state spaces at test time. Our method is also highly efficient, running 1-2 orders of magnitude faster than the simulation on which it is trained. Our approach broadens the range of problems on which neural network simulators can operate and promises to improve the efficiency of complex, scientific modeling tasks.

Alvaro Sanchez-Gonzalez, Jonathan Godwin, Tobias Pfaff et al.

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our framework---which we term "Graph Network-based Simulators" (GNS)---represents the state of a physical system with particles, expressed as nodes in a graph, and computes dynamics via learned message-passing. Our results show that our model can generalize from single-timestep predictions with thousands of particles during training, to different initial conditions, thousands of timesteps, and at least an order of magnitude more particles at test time. Our model was robust to hyperparameter choices across various evaluation metrics: the main determinants of long-term performance were the number of message-passing steps, and mitigating the accumulation of error by corrupting the training data with noise. Our GNS framework advances the state-of-the-art in learned physical simulation, and holds promise for solving a wide range of complex forward and inverse problems.

Jessica B. Hamrick, Victor Bapst, Alvaro Sanchez-Gonzalez et al.

We introduce "Search with Amortized Value Estimates" (SAVE), an approach for combining model-free Q-learning with model-based Monte-Carlo Tree Search (MCTS). In SAVE, a learned prior over state-action values is used to guide MCTS, which estimates an improved set of state-action values. The new Q-estimates are then used in combination with real experience to update the prior. This effectively amortizes the value computation performed by MCTS, resulting in a cooperative relationship between model-free learning and model-based search. SAVE can be implemented on top of any Q-learning agent with access to a model, which we demonstrate by incorporating it into agents that perform challenging physical reasoning tasks and Atari. SAVE consistently achieves higher rewards with fewer training steps, and---in contrast to typical model-based search approaches---yields strong performance with very small search budgets. By combining real experience with information computed during search, SAVE demonstrates that it is possible to improve on both the performance of model-free learning and the computational cost of planning.

Tom Le Paine, Sergio Gómez Colmenarejo, Ziyu Wang et al.

Humans are experts at high-fidelity imitation -- closely mimicking a demonstration, often in one attempt. Humans use this ability to quickly solve a task instance, and to bootstrap learning of new tasks. Achieving these abilities in autonomous agents is an open problem. In this paper, we introduce an off-policy RL algorithm (MetaMimic) to narrow this gap. MetaMimic can learn both (i) policies for high-fidelity one-shot imitation of diverse novel skills, and (ii) policies that enable the agent to solve tasks more efficiently than the demonstrators. MetaMimic relies on the principle of storing all experiences in a memory and replaying these to learn massive deep neural network policies by off-policy RL. This paper introduces, to the best of our knowledge, the largest existing neural networks for deep RL and shows that larger networks with normalization are needed to achieve one-shot high-fidelity imitation on a challenging manipulation task. The results also show that both types of policy can be learned from vision, in spite of the task rewards being sparse, and without access to demonstrator actions.

Yusuf Aytar, Tobias Pfaff, David Budden et al.

Deep reinforcement learning methods traditionally struggle with tasks where environment rewards are particularly sparse. One successful method of guiding exploration in these domains is to imitate trajectories provided by a human demonstrator. However, these demonstrations are typically collected under artificial conditions, i.e. with access to the agent's exact environment setup and the demonstrator's action and reward trajectories. Here we propose a two-stage method that overcomes these limitations by relying on noisy, unaligned footage without access to such data. First, we learn to map unaligned videos from multiple sources to a common representation using self-supervised objectives constructed over both time and modality (i.e. vision and sound). Second, we embed a single YouTube video in this representation to construct a reward function that encourages an agent to imitate human gameplay. This method of one-shot imitation allows our agent to convincingly exceed human-level performance on the infamously hard exploration games Montezuma's Revenge, Pitfall! and Private Eye for the first time, even if the agent is not presented with any environment rewards.