Informing Acquisition Functions via Foundation Models for Molecular Discovery

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic surrogate model of this mapping and optimizes acquisition functions derived from the model to guide molecule selection. However, its performance is limited in low-data regimes with insufficient prior knowledge and vast candidate spaces. Large language models (LLMs) and chemistry foundation models offer rich priors to enhance BO, but high-dimensional features, costly in-context learning, and the computational burden of deep Bayesian surrogates hinder their full utilization. To address these challenges, we propose a likelihood-free BO method that bypasses explicit surrogate modeling and directly leverages priors from general LLMs and chemistry-specific foundation models to inform acquisition functions. Our method also learns a tree-structured partition of the molecular search space with local acquisition functions, enabling efficient candidate selection via Monte Carlo Tree Search. By further incorporating coarse-grained LLM-based clustering, it substantially improves scalability to large candidate sets by restricting acquisition function evaluations to clusters with statistically higher property values. We show through extensive experiments and ablations that the proposed method substantially improves scalability, robustness, and sample efficiency in LLM-guided BO for molecular discovery.

Harnessing Bounded-Support Evolution Strategies for Policy Refinement

Improving competent robot policies with on-policy RL is often hampered by noisy, low-signal gradients. We revisit Evolution Strategies (ES) as a policy-gradient proxy and localize exploration with bounded, antithetic triangular perturbations, suitable for policy refinement. We propose Triangular-Distribution ES (TD-ES) which pairs bounded triangular noise with a centered-rank finite-difference estimator to deliver stable, parallelizable, gradient-free updates. In a two-stage pipeline - PPO pretraining followed by TD-ES refinement - this preserves early sample efficiency while enabling robust late-stage gains. Across a suite of robotic manipulation tasks, TD-ES raises success rates by 26.5% relative to PPO and greatly reduces variance, offering a simple, compute-light path to reliable refinement.

ScheduleStream: Temporal Planning with Samplers for GPU-Accelerated Multi-Arm Task and Motion Planning & Scheduling

Bimanual and humanoid robots are appealing because of their human-like ability to leverage multiple arms to efficiently complete tasks. However, controlling multiple arms at once is computationally challenging due to the growth in the hybrid discrete-continuous action space. Task and Motion Planning (TAMP) algorithms can efficiently plan in hybrid spaces but generally produce plans, where only one arm is moving at a time, rather than schedules that allow for parallel arm motion. In order to extend TAMP to produce schedules, we present ScheduleStream, the first general-purpose framework for planning & scheduling with sampling operations. ScheduleStream models temporal dynamics using hybrid durative actions, which can be started asynchronously and persist for a duration that's a function of their parameters. We propose domain-independent algorithms that solve ScheduleStream problems without any application-specific mechanisms. We apply ScheduleStream to Task and Motion Planning & Scheduling (TAMPAS), where we use GPU acceleration within samplers to expedite planning. We compare ScheduleStream algorithms to several ablations in simulation and find that they produce more efficient solutions. We demonstrate ScheduleStream on several real-world bimanual robot tasks at https://schedulestream.github.io.

The Reality Gap in Robotics: Challenges, Solutions, and Best Practices

Machine learning has facilitated significant advancements across various robotics domains, including navigation, locomotion, and manipulation. Many such achievements have been driven by the extensive use of simulation as a critical tool for training and testing robotic systems prior to their deployment in real-world environments. However, simulations consist of abstractions and approximations that inevitably introduce discrepancies between simulated and real environments, known as the reality gap. These discrepancies significantly hinder the successful transfer of systems from simulation to the real world. Closing this gap remains one of the most pressing challenges in robotics. Recent advances in sim-to-real transfer have demonstrated promising results across various platforms, including locomotion, navigation, and manipulation. By leveraging techniques such as domain randomization, real-to-sim transfer, state and action abstractions, and sim-real co-training, many works have overcome the reality gap. However, challenges persist, and a deeper understanding of the reality gap's root causes and solutions is necessary. In this survey, we present a comprehensive overview of the sim-to-real landscape, highlighting the causes, solutions, and evaluation metrics for the reality gap and sim-to-real transfer.

Deformable Cluster Manipulation via Whole-Arm Policy Learning

Manipulating clusters of deformable objects presents a substantial challenge with widespread applicability, but requires contact-rich whole-arm interactions. A potential solution must address the limited capacity for realistic model synthesis, high uncertainty in perception, and the lack of efficient spatial abstractions, among others. We propose a novel framework for learning model-free policies integrating two modalities: 3D point clouds and proprioceptive touch indicators, emphasising manipulation with full body contact awareness, going beyond traditional end-effector modes. Our reinforcement learning framework leverages a distributional state representation, aided by kernel mean embeddings, to achieve improved training efficiency and real-time inference. Furthermore, we propose a novel context-agnostic occlusion heuristic to clear deformables from a target region for exposure tasks. We deploy the framework in a power line clearance scenario and observe that the agent generates creative strategies leveraging multiple arm links for de-occlusion. Finally, we perform zero-shot sim-to-real policy transfer, allowing the arm to clear real branches with unknown occlusion patterns, unseen topology, and uncertain dynamics.

GraspGen: A Diffusion-based Framework for 6-DOF Grasping with On-Generator Training

Grasping is a fundamental robot skill, yet despite significant research advancements, learning-based 6-DOF grasping approaches are still not turnkey and struggle to generalize across different embodiments and in-the-wild settings. We build upon the recent success on modeling the object-centric grasp generation process as an iterative diffusion process. Our proposed framework, GraspGen, consists of a DiffusionTransformer architecture that enhances grasp generation, paired with an efficient discriminator to score and filter sampled grasps. We introduce a novel and performant on-generator training recipe for the discriminator. To scale GraspGen to both objects and grippers, we release a new simulated dataset consisting of over 53 million grasps. We demonstrate that GraspGen outperforms prior methods in simulations with singulated objects across different grippers, achieves state-of-the-art performance on the FetchBench grasping benchmark, and performs well on a real robot with noisy visual observations.

Q-STAC: Q-Guided Stein Variational Model Predictive Actor-Critic

Deep reinforcement learning has shown remarkable success in continuous control tasks, yet often requires extensive training data, struggles with complex, long-horizon planning, and fails to maintain safety constraints during operation. Meanwhile, Model Predictive Control (MPC) offers explainability and constraint satisfaction, but typically yields only locally optimal solutions and demands careful cost function design. This paper introduces the Q-guided STein variational model predictive Actor-Critic (Q-STAC), a novel framework that bridges these approaches by integrating Bayesian MPC with actor-critic reinforcement learning through constrained Stein Variational Gradient Descent (SVGD). Our method optimizes control sequences directly using learned Q-values as objectives, eliminating the need for explicit cost function design while leveraging known system dynamics to enhance sample efficiency and ensure control signals remain within safe boundaries. Extensive experiments on 2D navigation and robotic manipulation tasks demonstrate that Q-STAC achieves superior sample efficiency, robustness, and optimality compared to state-of-the-art algorithms, while maintaining the high expressiveness of policy distributions. Experiment videos are available on our website: https://sites.google.com/view/q-stac

Controlled Latent Diffusion Models for 3D Porous Media Reconstruction

Three-dimensional digital reconstruction of porous media presents a fundamental challenge in geoscience, requiring simultaneous resolution of fine-scale pore structures while capturing representative elementary volumes. We introduce a computational framework that addresses this challenge through latent diffusion models operating within the EDM framework. Our approach reduces dimensionality via a custom variational autoencoder trained in binary geological volumes, improving efficiency and also enabling the generation of larger volumes than previously possible with diffusion models. A key innovation is our controlled unconditional sampling methodology, which enhances distribution coverage by first sampling target statistics from their empirical distributions, then generating samples conditioned on these values. Extensive testing on four distinct rock types demonstrates that conditioning on porosity - a readily computable statistic - is sufficient to ensure a consistent representation of multiple complex properties, including permeability, two-point correlation functions, and pore size distributions. The framework achieves better generation quality than pixel-space diffusion while enabling significantly larger volume reconstruction (256-cube voxels) with substantially reduced computational requirements, establishing a new state-of-the-art for digital rock physics applications.

Cosmos-Transfer1: Conditional World Generation with Adaptive Multimodal Control

We introduce Cosmos-Transfer, a conditional world generation model that can generate world simulations based on multiple spatial control inputs of various modalities such as segmentation, depth, and edge. In the design, the spatial conditional scheme is adaptive and customizable. It allows weighting different conditional inputs differently at different spatial locations. This enables highly controllable world generation and finds use in various world-to-world transfer use cases, including Sim2Real. We conduct extensive evaluations to analyze the proposed model and demonstrate its applications for Physical AI, including robotics Sim2Real and autonomous vehicle data enrichment. We further demonstrate an inference scaling strategy to achieve real-time world generation with an NVIDIA GB200 NVL72 rack. To help accelerate research development in the field, we open-source our models and code at https://github.com/nvidia-cosmos/cosmos-transfer1.

HAMSTER: Hierarchical Action Models For Open-World Robot Manipulation

Large foundation models have shown strong open-world generalization to complex problems in vision and language, but similar levels of generalization have yet to be achieved in robotics. One fundamental challenge is the lack of robotic data, which are typically obtained through expensive on-robot operation. A promising remedy is to leverage cheaper, off-domain data such as action-free videos, hand-drawn sketches or simulation data. In this work, we posit that hierarchical vision-language-action (VLA) models can be more effective in utilizing off-domain data than standard monolithic VLA models that directly finetune vision-language models (VLMs) to predict actions. In particular, we study a class of hierarchical VLA models, where the high-level VLM is finetuned to produce a coarse 2D path indicating the desired robot end-effector trajectory given an RGB image and a task description. The intermediate 2D path prediction is then served as guidance to the low-level, 3D-aware control policy capable of precise manipulation. Doing so alleviates the high-level VLM from fine-grained action prediction, while reducing the low-level policy's burden on complex task-level reasoning. We show that, with the hierarchical design, the high-level VLM can transfer across significant domain gaps between the off-domain finetuning data and real-robot testing scenarios, including differences on embodiments, dynamics, visual appearances and task semantics, etc. In the real-robot experiments, we observe an average of 20% improvement in success rate across seven different axes of generalization over OpenVLA, representing a 50% relative gain. Visual results are provided at: https://hamster-robot.github.io/