Wojciech Matusik

We introduce Soft Anisotropic Diagrams (SAD), an explicit and differentiable image representation parameterized by a set of adaptive sites in the image plane. In SAD, each site specifies an anisotropic metric and an additively weighted distance score, and we compute pixel colors as a softmax blend over a small per-pixel top- K subset of sites. We induce a soft anisotropic additively weighted Voronoi partition (i.e., an Apollonius diagram) with learnable persite temperatures, preserving informative gradients while allowing clear, content-aligned boundaries and explicit ownership. Such a formulation enables efficient rendering by maintaining a per-query top- K map that approximates nearest neighbors under the same shading score, allowing GPU-friendly, fixed-size local computation. We update this list using our top- K propagation scheme inspired by jump flooding, augmented with stochastic injection to provide probabilistic global coverage. Training follows a GPU-first pipeline with gradient-weighted initialization, Adam optimization, and adaptive budget control through densification and pruning. Across standard benchmarks, SAD consistently outperforms Image-GS and Instant-NGP at matched bitrate. On Kodak, SAD reaches 46.0 dB PSNR with 2.2 s encoding time (vs. 28s for Image-GS), and delivers 4–19× end-to-end training speedups over state-of-the-art baselines. We demonstrate the effectiveness of SAD by showcasing the seamless integration with differentiable pipelines for forward and inverse problems, efficiency of fast random access, and compact storage. You can find the code here: https://luckyiyi.github.io/SAD.

Simulating large-scale articulated assemblies poses a significant challenge due to the numerical stiffness and geometric complexity of jointed structures. Conventional rigid body solvers struggle with the high nonlinearity induced by rotation parameterization. This difficulty becomes more pronounced for multiple two-way-coupled bodies. This paper introduces a novel framework that leverages the linear kinematic mapping of Affine Body Dynamics (ABD). As ABD targets near-rigid objects, the constitutive variations of different materials become negligible, which justifies a co-rotational approach to isolate geometric nonlinearities of the system. This insight enables the use of constant system matrices that can be pre-factorized throughout the simulation, even with fully implicit integration schemes. To manage the high DOF counts of large-scale systems, we map primal body coordinates onto a compact dual space defined by minimal joint degrees of freedom. By solving the resulting KKT systems, our method ensures exact constraint enforcement and physically accurate motion propagation. We provide a suite of specialized solvers tailored for diverse joint topologies, including chains, trees, closed loops, and irregular networks. Experimental results show that our approach achieves interactive rates for systems with hundreds of thousands of bodies on a single CPU core, while maintaining excellent stability at large time steps.

Heat treatment is essential for meeting mechanical-performance requirements in additively manufactured components, but it consumes significant furnace energy and involves coupled time–temperature interactions that make trial-and-error development inefficient. We demonstrate a multi-objective Bayesian optimization (MOBO) protocol for Laser Powder Bed Fused (LPBF) Inconel 718 (IN718) that simultaneously maximises ultimate tensile strength (UTS) and minimises estimated cycle energy consumption. Profilometry-Based Indentation Plastometry (PIP) provides rapid UTS estimates during the campaign, while a calibrated furnace model estimates per-cycle energy consumption (EC). Relative to the average seed baseline, the campaign achieved a 21% increase in UTS and a 118% improvement in the energy efficiency objective (1/EC), with a Pareto hit ratio of 0.33. The identified schedules favour short solution annealing (15 min, 950–1034°C) paired with moderate aging, and microstructural observations are consistent with the inferred trends, indicating that heat treatment primarily modifies segregation products and precipitate populations rather than grain morphology. Within practical processing constraints, the proposed workflow makes resource intensity an explicit optimisation target while retaining metallurgical interpretability and practical experimental cadence.

Heat treatment is essential for meeting mechanical-performance requirements in additively manufactured components, but it consumes significant furnace energy and involves coupled time–temperature interactions that make trial-and-error development inefficient. We demonstrate a multi-objective Bayesian optimization (MOBO) protocol for Laser Powder Bed Fused (LPBF) Inconel 718 (IN718) that simultaneously maximises ultimate tensile strength (UTS) and minimises estimated cycle energy consumption. Profilometry-Based Indentation Plastometry (PIP) provides rapid UTS estimates during the campaign, while a calibrated furnace model estimates per-cycle energy consumption (EC). Relative to the average seed baseline, the campaign achieved a 21% increase in UTS and a 118% improvement in the energy efficiency objective (1/EC), with a Pareto hit ratio of 0.33. The identified schedules favour short solution annealing (15 min, 950–1034°C) paired with moderate aging, and microstructural observations are consistent with the inferred trends, indicating that heat treatment primarily modifies segregation products and precipitate populations rather than grain morphology. Within practical processing constraints, the proposed workflow makes resource intensity an explicit optimisation target while retaining metallurgical interpretability and practical experimental cadence.

Heat treatment is essential for meeting mechanical-performance requirements in additively manufactured components, but it consumes significant furnace energy and involves coupled time–temperature interactions that make trial-and-error development inefficient. We demonstrate a multi-objective Bayesian optimization (MOBO) protocol for Laser Powder Bed Fused (LPBF) Inconel 718 (IN718) that simultaneously maximises ultimate tensile strength (UTS) and minimises estimated cycle energy consumption. Profilometry-Based Indentation Plastometry (PIP) provides rapid UTS estimates during the campaign, while a calibrated furnace model estimates per-cycle energy consumption (EC). Relative to the average seed baseline, the campaign achieved a 21% increase in UTS and a 118% improvement in the energy efficiency objective (1/EC), with a Pareto hit ratio of 0.33. The identified schedules favour short solution annealing (15 min, 950–1034°C) paired with moderate aging, and microstructural observations are consistent with the inferred trends, indicating that heat treatment primarily modifies segregation products and precipitate populations rather than grain morphology. Within practical processing constraints, the proposed workflow makes resource intensity an explicit optimisation target while retaining metallurgical interpretability and practical experimental cadence.

Embodied foundation models are expected to benefit from data scaling like large language models, but face a much tighter data bottleneck. Teleoperated real-robot trajectories remain the dominant pretraining source due to their precise action supervision and embodiment alignment, yet their scalability is limited by high collection cost, acquisition difficulty, and low behavioral and environmental diversity. These limitations have sparked interest in egocentric human video as a scalable, substantially lower-cost, and more diverse alternative for embodied model pretraining. However, its effectiveness compared to teleoperated real-robot data remains underexplored. To address this question, we conduct a systematic study comparing egocentric human video and teleoperated real-robot trajectories as pretraining data sources for embodied foundation models, under fixed post-training and validation protocols. Surprisingly, we find that egocentric data, when processed through a carefully designed filtering and labeling pipeline, is not merely a viable substitute for model pretraining but can lead to superior performance. With the same amount of pretraining data, models pretrained on egocentric data achieve a 24% lower validation loss on real-robot action prediction, as well as 52.5% and 90% higher success rates on in-distribution and out-of-distribution real-robot task execution, respectively. This finding verifies a scalable paradigm for embodied foundation models: pretrain on egocentric human video to learn diverse world representations, then adapt with a small amount of labeled real-robot data for action-space alignment. We hope this study encourages broader exploration of egocentric data and offers guidance for data quality assessment before costly robot data collection.

Embodied foundation models are expected to benefit from data scaling like large language models, but face a much tighter data bottleneck. Teleoperated real-robot trajectories remain the dominant pretraining source due to their precise action supervision and embodiment alignment, yet their scalability is limited by high collection cost, acquisition difficulty, and low behavioral and environmental diversity. These limitations have sparked interest in egocentric human video as a scalable, substantially lower-cost, and more diverse alternative for embodied model pretraining. However, its effectiveness compared to teleoperated real-robot data remains underexplored. To address this question, we conduct a systematic study comparing egocentric human video and teleoperated real-robot trajectories as pretraining data sources for embodied foundation models, under fixed post-training and validation protocols. Surprisingly, we find that egocentric data, when processed through a carefully designed filtering and labeling pipeline, is not merely a viable substitute for model pretraining but can lead to superior performance. With the same amount of pretraining data, models pretrained on egocentric data achieve a 24% lower validation loss on real-robot action prediction, as well as 52.5% and 90% higher success rates on in-distribution and out-of-distribution real-robot task execution, respectively. This finding verifies a scalable paradigm for embodied foundation models: pretrain on egocentric human video to learn diverse world representations, then adapt with a small amount of labeled real-robot data for action-space alignment. We hope this study encourages broader exploration of egocentric data and offers guidance for data quality assessment before costly robot data collection.

Organic crystal structure prediction (CSP) is a requirement for computational modelling of organic solids, but traditionally costs several CPU-years per molecule. Generative models such as OXtal dramatically reduce this cost by sampling stable organic crystal structures directly. However, OXtal forgoes explicit lattice parametrization in favour of modelling large crops of the bulk material with expensive triangle layers, which can incur a computational cost of minutes per molecule. In this paper, we reduce this to seconds with Clari, a large-scale flow matching model that generates redundancy-free unit cells and replaces triangle layers with pure pair-bias attention. Clari requires only atom types and bonds as input and does not need an RDKit-sanitizable input molecule, which expands its applicability to challenging chemistries such as fullerenes, metal complexes, and atom clusters. We further ablate key design choices such as auxiliary losses, timestep distributions, noise priors, and self-conditioning. On OXtal's test sets, we surpass OXtal's solve rate while obtaining a speedup of $15$-$30\times$. Because Clari also models explicit hydrogens, it supports inference-time scaling via direct energy ranking, without any decoration or relaxation step. When generating 150 crystals and selecting the top-30 by energy, we further improve solve rate while maintaining a speedup of $5$-$8\times$. We also introduce the CSD Teaching Subset as a new test split of diverse and complex molecules for future benchmarking. Our contributions enable CSP within seconds, making large-scale virtual screening of organic solids practical. Code is available at https://github.com/aspuru-guzik-group/clari.

Organic crystal structure prediction (CSP) is a requirement for computational modelling of organic solids, but traditionally costs several CPU-years per molecule. Generative models such as OXtal dramatically reduce this cost by sampling stable organic crystal structures directly. However, OXtal forgoes explicit lattice parametrization in favour of modelling large crops of the bulk material with expensive triangle layers, which can incur a computational cost of minutes per molecule. In this paper, we reduce this to seconds with Clari, a large-scale flow matching model that generates redundancy-free unit cells and replaces triangle layers with pure pair-bias attention. Clari requires only atom types and bonds as input and does not need an RDKit-sanitizable input molecule, which expands its applicability to challenging chemistries such as fullerenes, metal complexes, and atom clusters. We further ablate key design choices such as auxiliary losses, timestep distributions, noise priors, and self-conditioning. On OXtal's test sets, we surpass OXtal's solve rate while obtaining a speedup of $15$-$30\times$. Because Clari also models explicit hydrogens, it supports inference-time scaling via direct energy ranking, without any decoration or relaxation step. When generating 150 crystals and selecting the top-30 by energy, we further improve solve rate while maintaining a speedup of $5$-$8\times$. We also introduce the CSD Teaching Subset as a new test split of diverse and complex molecules for future benchmarking. Our contributions enable CSP within seconds, making large-scale virtual screening of organic solids practical. Code is available at https://github.com/aspuru-guzik-group/clari.

A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.

A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.

Neural preconditioners for real-time physics simulation offer promising data-driven priors, but they often fail to capture long-range couplings efficiently because they inherit local message passing or sparse-operator access patterns. We introduce the Hierarchical Transformer Preconditioner, a neural preconditioner anchored to a weak-admissibility H-matrix partition. The partition provides a multiscale structural prior (dense diagonal leaves plus coarsening off-diagonal tiles) that enables full-graph approximate-inverse computation with O(N) scaling at fixed block sizes. The network models the inverse through low-rank far-field factors and uses highway connections (axial buffers plus a global summary token) to propagate context across transformer depth. At each PCG iteration, preconditioner application reduces to batched dense GEMMs with regular memory access. The key training contribution is a cosine-Hutchinson probe objective that learns the action of MA on convergence-critical spectral subspaces, optimizing angular alignment of MAz with z rather than forcing eigenvalue clusters to a prescribed location. This removes unnecessary spectral-placement constraints from SAI-style objectives and improves conditioning on irregular spectra. Because both inference and apply are dense, dependency-free tensor programs, the full solve loop is captured as a single CUDA Graph. On stiff multiphase Poisson systems (up to 100:1 density contrast, N = 1,024-16,384), the solver runs from ~143 to ~21 fps. At N = 8,192, it reaches 17.9 ms/frame, with 2.2x speedup over GPU Jacobi, ~28x over GPU IC/DILU (AMGX multicolor_dilu), and 2.7x over neural SPAI retrained per scale on the same benchmark.

Neural preconditioners for real-time physics simulation offer promising data-driven priors, but they often fail to capture long-range couplings efficiently because they inherit local message passing or sparse-operator access patterns. We introduce the Hierarchical Transformer Preconditioner, a neural preconditioner anchored to a weak-admissibility H-matrix partition. The partition provides a multiscale structural prior (dense diagonal leaves plus coarsening off-diagonal tiles) that enables full-graph approximate-inverse computation with O(N) scaling at fixed block sizes. The network models the inverse through low-rank far-field factors and uses highway connections (axial buffers plus a global summary token) to propagate context across transformer depth. At each PCG iteration, preconditioner application reduces to batched dense GEMMs with regular memory access. The key training contribution is a cosine-Hutchinson probe objective that learns the action of MA on convergence-critical spectral subspaces, optimizing angular alignment of MAz with z rather than forcing eigenvalue clusters to a prescribed location. This removes unnecessary spectral-placement constraints from SAI-style objectives and improves conditioning on irregular spectra. Because both inference and apply are dense, dependency-free tensor programs, the full solve loop is captured as a single CUDA Graph. On stiff multiphase Poisson systems (up to 100:1 density contrast, N = 1,024-16,384), the solver runs from ~143 to ~21 fps. At N = 8,192, it reaches 17.9 ms/frame, with 2.2x speedup over GPU Jacobi, ~28x over GPU IC/DILU (AMGX multicolor_dilu), and 2.7x over neural SPAI retrained per scale on the same benchmark.

Classical deep learning typically operates on individual cases. Despite its success, real-world usage often requires repeated inference to estimate statistical quantities for complex decision-making tasks involving uncertainty or extreme-value analysis, resulting in substantial latency. We introduce neural statistical functions, a new family of models learned from pre-trained single-sample predictors and scattered data samples, which can directly infer statistics over continuous operating condition ranges without explicit sampling. By introducing the notion of prefix statistics, we transform and unify diverse statistical functions (e.g., integrals, quantiles, and maxima) into an interval-conditional framework, in which a principled identity between the prefix statistics and the individual-case regression serves as the learning objective. Neural statistical functions achieve strong performance in estimating essential statistics of complex physical processes, including accumulated energy in dynamical systems, quantiles of aerodynamic responses, and maximum stress in crash processes, while achieving up to a 100$\times$ reduction in model evaluations.

Classical deep learning typically operates on individual cases. Despite its success, real-world usage often requires repeated inference to estimate statistical quantities for complex decision-making tasks involving uncertainty or extreme-value analysis, resulting in substantial latency. We introduce neural statistical functions, a new family of models learned from pre-trained single-sample predictors and scattered data samples, which can directly infer statistics over continuous operating condition ranges without explicit sampling. By introducing the notion of prefix statistics, we transform and unify diverse statistical functions (e.g., integrals, quantiles, and maxima) into an interval-conditional framework, in which a principled identity between the prefix statistics and the individual-case regression serves as the learning objective. Neural statistical functions achieve strong performance in estimating essential statistics of complex physical processes, including accumulated energy in dynamical systems, quantiles of aerodynamic responses, and maximum stress in crash processes, while achieving up to a 100$\times$ reduction in model evaluations.

Learning-based simulation of multi-object rigid-body dynamics remains difficult because contact is discontinuous and errors compound over long horizons. Most existing methods remain tied to mesh connectivity and vertex-level message passing, which limits their applicability to mesh-free inputs such as point clouds and leads to high computational cost. Efficiently modeling high-fidelity rigid-body dynamics from mesh-free representations, therefore, remains challenging. We introduce RigidFormer, an object-centric Transformer-based model that learns mesh-free rigid-body dynamics with controllable integration step sizes. RigidFormer reasons at the object level and advances each object through compact anchors; Anchor-Vertex Pooling enriches these anchors with local vertex features, retaining contact-relevant geometry without dense vertex-level interaction. We propose Anchor-based RoPE to inject anchor geometry into attention while respecting the unordered nature of objects and anchors: object-token processing is permutation-equivariant, and the mean-pooled anchor descriptor is invariant to anchor reindexing while preserving shape extent. RigidFormer further enforces rigidity by projecting updates onto the rigid-body manifold using differentiable Kabsch alignment. On standard benchmarks, RigidFormer outperforms or matches mesh-based baselines using point inputs, runs faster, generalizes to unseen point resolutions and across datasets, and scales to 200+ objects; we also show a preliminary extension to command-conditioned articulated bodies by treating body parts as interacting object-level components.

Learning-based simulation of multi-object rigid-body dynamics remains difficult because contact is discontinuous and errors compound over long horizons. Most existing methods remain tied to mesh connectivity and vertex-level message passing, which limits their applicability to mesh-free inputs such as point clouds and leads to high computational cost. Efficiently modeling high-fidelity rigid-body dynamics from mesh-free representations, therefore, remains challenging. We introduce RigidFormer, an object-centric Transformer-based model that learns mesh-free rigid-body dynamics with controllable integration step sizes. RigidFormer reasons at the object level and advances each object through compact anchors; Anchor-Vertex Pooling enriches these anchors with local vertex features, retaining contact-relevant geometry without dense vertex-level interaction. We propose Anchor-based RoPE to inject anchor geometry into attention while respecting the unordered nature of objects and anchors: object-token processing is permutation-equivariant, and the mean-pooled anchor descriptor is invariant to anchor reindexing while preserving shape extent. RigidFormer further enforces rigidity by projecting updates onto the rigid-body manifold using differentiable Kabsch alignment. On standard benchmarks, RigidFormer outperforms or matches mesh-based baselines using point inputs, runs faster, generalizes to unseen point resolutions and across datasets, and scales to 200+ objects; we also show a preliminary extension to command-conditioned articulated bodies by treating body parts as interacting object-level components.

We introduce Soft Anisotropic Diagrams (SAD), an explicit and differentiable image representation parameterized by a set of adaptive sites in the image plane. In SAD, each site specifies an anisotropic metric and an additively weighted distance score, and we compute pixel colors as a softmax blend over a small per-pixel top-K subset of sites. We induce a soft anisotropic additively weighted Voronoi partition (i.e., an Apollonius diagram) with learnable per-site temperatures, preserving informative gradients while allowing clear, content-aligned boundaries and explicit ownership. Such a formulation enables efficient rendering by maintaining a per-query top-K map that approximates nearest neighbors under the same shading score, allowing GPU-friendly, fixed-size local computation. We update this list using our top-K propagation scheme inspired by jump flooding, augmented with stochastic injection to provide probabilistic global coverage. Training follows a GPU-first pipeline with gradient-weighted initialization, Adam optimization, and adaptive budget control through densification and pruning. Across standard benchmarks, SAD consistently outperforms Image-GS and Instant-NGP at matched bitrate. On Kodak, SAD reaches 46.0 dB PSNR with 2.2 s encoding time (vs. 28 s for Image-GS), and delivers 4-19 times end-to-end training speedups over state-of-the-art baselines. We demonstrate the effectiveness of SAD by showcasing the seamless integration with differentiable pipelines for forward and inverse problems, efficiency of fast random access, and compact storage.

We introduce Soft Anisotropic Diagrams (SAD), an explicit and differentiable image representation parameterized by a set of adaptive sites in the image plane. In SAD, each site specifies an anisotropic metric and an additively weighted distance score, and we compute pixel colors as a softmax blend over a small per-pixel top-K subset of sites. We induce a soft anisotropic additively weighted Voronoi partition (i.e., an Apollonius diagram) with learnable per-site temperatures, preserving informative gradients while allowing clear, content-aligned boundaries and explicit ownership. Such a formulation enables efficient rendering by maintaining a per-query top-K map that approximates nearest neighbors under the same shading score, allowing GPU-friendly, fixed-size local computation. We update this list using our top-K propagation scheme inspired by jump flooding, augmented with stochastic injection to provide probabilistic global coverage. Training follows a GPU-first pipeline with gradient-weighted initialization, Adam optimization, and adaptive budget control through densification and pruning. Across standard benchmarks, SAD consistently outperforms Image-GS and Instant-NGP at matched bitrate. On Kodak, SAD reaches 46.0 dB PSNR with 2.2 s encoding time (vs. 28 s for Image-GS), and delivers 4-19 times end-to-end training speedups over state-of-the-art baselines. We demonstrate the effectiveness of SAD by showcasing the seamless integration with differentiable pipelines for forward and inverse problems, efficiency of fast random access, and compact storage.

Visualization is central to scientific discovery, yet authoring tools remain split between information and scientific visualization, and expertise in one rarely transfers to the other. Large Language Model (LLM) based systems promise to bridge this gap through natural language, but current approaches generate code non-deterministically, with no guarantee of correctness and no protection against silent data fabrication. We present Raiven, a conversational system that mediates visualization authoring through a formally defined domain-specific language. RaivenDSL unifies scientific and information visualization in a single representation spanning 2D, 3D, and tabular data. The LLM produces a compact RaivenDSL specification under schema-guided constraints, and a deterministic compiler translates it to executable D3 or VTK.js code. Because the LLM operates only on dataset metadata, outputs are deterministic, specifications are verifiable before execution, and data fabrication is impossible by construction. In a 100-task benchmark, Raiven achieves 100% compilation, is up to six times faster and six times cheaper than state-of-the-art LLMs, while improving interaction quality, correctness, and data faithfulness. An expert user study shows that Raiven significantly reduces debugging effort and makes it easier to produce correct visualizations.

Visualization is central to scientific discovery, yet authoring tools remain split between information and scientific visualization, and expertise in one rarely transfers to the other. Large Language Model (LLM) based systems promise to bridge this gap through natural language, but current approaches generate code non-deterministically, with no guarantee of correctness and no protection against silent data fabrication. We present Raiven, a conversational system that mediates visualization authoring through a formally defined domain-specific language. RaivenDSL unifies scientific and information visualization in a single representation spanning 2D, 3D, and tabular data. The LLM produces a compact RaivenDSL specification under schema-guided constraints, and a deterministic compiler translates it to executable D3 or VTK.js code. Because the LLM operates only on dataset metadata, outputs are deterministic, specifications are verifiable before execution, and data fabrication is impossible by construction. In a 100-task benchmark, Raiven achieves 100% compilation, is up to six times faster and six times cheaper than state-of-the-art LLMs, while improving interaction quality, correctness, and data faithfulness. An expert user study shows that Raiven significantly reduces debugging effort and makes it easier to produce correct visualizations.

ABSTRACT Global energy demand is projected to grow 30% within the next three decades, driven primarily by population growth and urbanization, leading to greater material needs in energy, and necessitates a new regime of accelerated research via a fundamentally improved strategy. In this perspective, we examine traditional ceramic synthesis methods for high‐throughput synthesis and optimization, and highlight requirements and opportunities of synthesis routes for rapid alterations in the future. Such a strategy relies on flexible direct liquid precursor‐to‐solid film methods rather than traditional, but slower, solid‐state methods. Application of computer‐aided decision making takes in variables at all levels of fabrication and operates on both material and device characteristics to initialize and optimize the search for higher‐performance devices, not just narrow materials optimization. Collectively, we provide a blueprint for accelerated ceramic materials and device improvements of next‐generation materials research targeting energy storage.

Large-scale foundation models (LFMs) have recently made impressive progress in text-to-motion generation by learning strong generative priors from massive 3D human motion datasets and paired text descriptions. However, how to effectively and efficiently leverage such single-purpose motion LFMs, i.e., text-to-motion synthesis, in more diverse cross-modal and in-context motion generation downstream tasks remains largely unclear. Prior work typically adapts pretrained generative priors to individual downstream tasks in a task-specific manner. In contrast, our goal is to unlock such priors to support a broad spectrum of downstream motion generation tasks within a single unified framework. To bridge this gap, we present UMO, a simple yet general unified formulation that casts diverse downstream tasks into compositions of atomic per-frame operations, enabling in-context adaptation to unlock the generative priors of pretrained DiT-based motion LFMs. Specifically, UMO introduces three learnable frame-level meta-operation embeddings to specify per-frame intent and employs lightweight temporal fusion to inject in-context cues into the pretrained backbone, with negligible runtime overhead compared to the base model. With this design, UMO finetunes the pretrained model, originally limited to text-to-motion generation, to support diverse previously unsupported tasks, including temporal inpainting, text-guided motion editing, text-serialized geometric constraints, and multi-identity reaction generation. Experiments demonstrate that UMO consistently outperforms task-specific and training-free baselines across a wide range of benchmarks, despite using a single unified model. Code and model will be publicly available. Project Page: https://oliver-cong02.github.io/UMO.github.io/

Large-scale foundation models (LFMs) have recently made impressive progress in text-to-motion generation by learning strong generative priors from massive 3D human motion datasets and paired text descriptions. However, how to effectively and efficiently leverage such single-purpose motion LFMs, i.e., text-to-motion synthesis, in more diverse cross-modal and in-context motion generation downstream tasks remains largely unclear. Prior work typically adapts pretrained generative priors to individual downstream tasks in a task-specific manner. In contrast, our goal is to unlock such priors to support a broad spectrum of downstream motion generation tasks within a single unified framework. To bridge this gap, we present UMO, a simple yet general unified formulation that casts diverse downstream tasks into compositions of atomic per-frame operations, enabling in-context adaptation to unlock the generative priors of pretrained DiT-based motion LFMs. Specifically, UMO introduces three learnable frame-level meta-operation embeddings to specify per-frame intent and employs lightweight temporal fusion to inject in-context cues into the pretrained backbone, with negligible runtime overhead compared to the base model. With this design, UMO finetunes the pretrained model, originally limited to text-to-motion generation, to support diverse previously unsupported tasks, including temporal inpainting, text-guided motion editing, text-serialized geometric constraints, and multi-identity reaction generation. Experiments demonstrate that UMO consistently outperforms task-specific and training-free baselines across a wide range of benchmarks, despite using a single unified model. Code and model will be publicly available. Project Page: https://oliver-cong02.github.io/UMO.github.io/

Simulating large-scale articulated assemblies poses a significant challenge due to the numerical stiffness and geometric complexity of jointed structures. Conventional rigid body solvers struggle with the high nonlinearity induced by rotation parameterization. This difficulty becomes more pronounced for multiple two-way-coupled bodies. This paper introduces a novel framework that leverages the linear kinematic mapping of Affine Body Dynamics (ABD). As ABD targets near-rigid objects, the constitutive variations of different materials become negligible, which justifies a co-rotational approach to isolate geometric nonlinearities of the system. This insight enables the use of constant system matrices that can be pre-factorized throughout the simulation, even with fully implicit integration schemes. To manage the high DOF counts of large-scale systems, we map primal body coordinates onto a compact dual space defined by minimal joint degrees of freedom. By solving the resulting KKT systems, our method ensures exact constraint enforcement and physically accurate motion propagation. We provide a suite of specialized solvers tailored for diverse joint topologies, including chains, trees, closed loops, and irregular networks. Experimental results show that our approach achieves interactive rates for systems with hundreds of thousands of bodies on a single CPU core, while maintaining excellent stability at large time steps.

Simulating large-scale articulated assemblies poses a significant challenge due to the numerical stiffness and geometric complexity of jointed structures. Conventional rigid body solvers struggle with the high nonlinearity induced by rotation parameterization. This difficulty becomes more pronounced for multiple two-way-coupled bodies. This paper introduces a novel framework that leverages the linear kinematic mapping of Affine Body Dynamics (ABD). As ABD targets near-rigid objects, the constitutive variations of different materials become negligible, which justifies a co-rotational approach to isolate geometric nonlinearities of the system. This insight enables the use of constant system matrices that can be pre-factorized throughout the simulation, even with fully implicit integration schemes. To manage the high DOF counts of large-scale systems, we map primal body coordinates onto a compact dual space defined by minimal joint degrees of freedom. By solving the resulting KKT systems, our method ensures exact constraint enforcement and physically accurate motion propagation. We provide a suite of specialized solvers tailored for diverse joint topologies, including chains, trees, closed loops, and irregular networks. Experimental results show that our approach achieves interactive rates for systems with hundreds of thousands of bodies on a single CPU core, while maintaining excellent stability at large time steps.

Past research has widely explored the design and fabrication of resistive matrix-based tactile sensors for creating touch-sensitive devices. However, real-world deployment of resistive tactile sensing systems remains difficult for individuals with limited prior experience in embedded sensing due to challenges of portability, adaptivity, and efficiency. We introduce the WiReSens Toolkit, an accessible, open-source platform to bridge this gap. Central to our approach is adaptive hardware for interfacing with resistive sensors and a web-based GUI that streamlines access to advanced features for building scalable tactile sensing systems, including multi-device programming and wireless visualization across three communication protocols, autocalibration for adaptive sensitivity, and intermittent data transmission for low-power use. We validated the toolkit’s usability through a user study with 11 novice participants, who, on average, configured a tactile sensor with over 95% accuracy in under five minutes, calibrated sensors 10× faster than baseline methods, and showed improved sense-making of tactile data.

Neural simulators promise efficient surrogates for physics simulation, but scaling them is bottlenecked by the prohibitive cost of generating high-fidelity training data. Pre-training on abundant off-the-shelf geometries offers a natural alternative, yet faces a fundamental gap: supervision on static geometry alone ignores dynamics and can lead to negative transfer on physics tasks. We present GeoPT, a unified pre-trained model for general physics simulation based on lifted geometric pre-training. The core idea is to augment geometry with synthetic dynamics, enabling dynamics-aware self-supervision without physics labels. Pre-trained on over one million samples, GeoPT consistently improves industrial-fidelity benchmarks spanning fluid mechanics for cars, aircraft, and ships, and solid mechanics in crash simulation, reducing labeled data requirements by 20-60% and accelerating convergence by 2$\times$. These results show that lifting with synthetic dynamics bridges the geometry-physics gap, unlocking a scalable path for neural simulation and potentially beyond. Code is available at https://github.com/Physics-Scaling/GeoPT.

Neural simulators promise efficient surrogates for physics simulation, but scaling them is bottlenecked by the prohibitive cost of generating high-fidelity training data. Pre-training on abundant off-the-shelf geometries offers a natural alternative, yet faces a fundamental gap: supervision on static geometry alone ignores dynamics and can lead to negative transfer on physics tasks. We present GeoPT, a unified pre-trained model for general physics simulation based on lifted geometric pre-training. The core idea is to augment geometry with synthetic dynamics, enabling dynamics-aware self-supervision without physics labels. Pre-trained on over one million samples, GeoPT consistently improves industrial-fidelity benchmarks spanning fluid mechanics for cars, aircraft, and ships, and solid mechanics in crash simulation, reducing labeled data requirements by 20-60% and accelerating convergence by 2$\times$. These results show that lifting with synthetic dynamics bridges the geometry-physics gap, unlocking a scalable path for neural simulation and potentially beyond. Code is available at https://github.com/Physics-Scaling/GeoPT.

Automatically generating interactive 3D environments is crucial for scaling up robotic data collection in simulation. While prior work has primarily focused on 3D asset placement, it often overlooks the physical relationships between objects (e.g., contact, support, balance, and containment), which are essential for creating complex and realistic manipulation scenarios such as tabletop arrangements, shelf organization, or box packing. Compared to classical 3D layout generation, producing complex physical scenes introduces additional challenges: (a) higher object density and complexity (e.g., a small shelf may hold dozens of books), (b) richer supporting relationships and compact spatial layouts, and (c) the need to accurately model both spatial placement and physical properties. To address these challenges, we propose PhyScensis, an LLM agent-based framework powered by a physics engine, to produce physically plausible scene configurations with high complexity. Specifically, our framework consists of three main components: an LLM agent iteratively proposes assets with spatial and physical predicates; a solver, equipped with a physics engine, realizes these predicates into a 3D scene; and feedback from the solver informs the agent to refine and enrich the configuration. Moreover, our framework preserves strong controllability over fine-grained textual descriptions and numerical parameters (e.g., relative positions, scene stability), enabled through probabilistic programming for stability and a complementary heuristic that jointly regulates stability and spatial relations. Experimental results show that our method outperforms prior approaches in scene complexity, visual quality, and physical accuracy, offering a unified pipeline for generating complex physical scene layouts for robotic manipulation.

Automatically generating interactive 3D environments is crucial for scaling up robotic data collection in simulation. While prior work has primarily focused on 3D asset placement, it often overlooks the physical relationships between objects (e.g., contact, support, balance, and containment), which are essential for creating complex and realistic manipulation scenarios such as tabletop arrangements, shelf organization, or box packing. Compared to classical 3D layout generation, producing complex physical scenes introduces additional challenges: (a) higher object density and complexity (e.g., a small shelf may hold dozens of books), (b) richer supporting relationships and compact spatial layouts, and (c) the need to accurately model both spatial placement and physical properties. To address these challenges, we propose PhyScensis, an LLM agent-based framework powered by a physics engine, to produce physically plausible scene configurations with high complexity. Specifically, our framework consists of three main components: an LLM agent iteratively proposes assets with spatial and physical predicates; a solver, equipped with a physics engine, realizes these predicates into a 3D scene; and feedback from the solver informs the agent to refine and enrich the configuration. Moreover, our framework preserves strong controllability over fine-grained textual descriptions and numerical parameters (e.g., relative positions, scene stability), enabled through probabilistic programming for stability and a complementary heuristic that jointly regulates stability and spatial relations. Experimental results show that our method outperforms prior approaches in scene complexity, visual quality, and physical accuracy, offering a unified pipeline for generating complex physical scene layouts for robotic manipulation.

Rendering novel, relit views of a human head, given a monocular portrait image as input, is an inherently underconstrained problem. The traditional graphics solution is to explicitly decompose the input image into geometry, material and lighting via differentiable rendering; but this is constrained by the multiple assumptions and approximations of the underlying models and parameterizations of these scene components. We propose 3DPR, an image-based relighting model that leverages generative priors learnt from multi-view One-Light-at-A-Time (OLAT) images captured in a light stage. We introduce a new diverse and large-scale multi-view 4K OLAT dataset of 139 subjects to learn a high-quality prior over the distribution of high-frequency face reflectance. We leverage the latent space of a pre-trained generative head model that provides a rich prior over face geometry learnt from in-the-wild image datasets. The input portrait is first embedded in the latent manifold of such a model through an encoder-based inversion process. Then a novel triplane-based reflectance network trained on our lightstage data is used to synthesize high-fidelity OLAT images to enable image-based relighting. Our reflectance network operates in the latent space of the generative head model, crucially enabling a relatively small number of lightstage images to train the reflectance model. Combining the generated OLATs according to a given HDRI environment maps yields physically accurate environmental relighting results. Through quantitative and qualitative evaluations, we demonstrate that 3DPR outperforms previous methods, particularly in preserving identity and in capturing lighting effects such as specularities, self-shadows, and subsurface scattering.

Particle Robots This paper introduces an innovative class of electronic-free particle robots that communicate via mechanically architected tentacles. Through tunable physical contact and vibration-induced transitions, the robots exhibit locking, repelling, and swarm behaviors. The system enables fast, sequential, and hierarchical deployment, paving the way for programmable, scalable swarm intelligence across multiple physical scales in particle robotics. More details can be found in Research Article by William Freeman, Wojciech Matusik, Bolei Deng, and co-workers (DOI: 10.1002/aisy.202500151).

Protein structure is central to biological function, and enabling multimodal protein models requires joint reasoning over sequence, structure, and function. A key barrier is the lack of principled protein structure tokenizers (PSTs): existing approaches fix token size or rely on continuous vector codebooks, limiting interpretability, multi-scale control, and transfer across architectures. We introduce GeoBPE, a geometry-grounded PST that transforms continuous, noisy, multi-scale backbone conformations into discrete ``sentences'' of geometry while enforcing global constraints. Analogous to byte-pair encoding, GeoBPE generates a hierarchical vocabulary of geometric primitives by iteratively (i) clustering Geo-Pair occurrences with k-medoids to yield a resolution-controllable vocabulary; (ii) quantizing each Geo-Pair to its closest medoid prototype; and (iii) reducing drift through differentiable inverse kinematics that optimizes boundary glue angles under an $\mathrm{SE}(3)$ end-frame loss. GeoBPE offers compression ($>$10x reduction in bits-per-residue at similar distortion rate), data efficiency ($>$10x less training data), and generalization (maintains test/train distortion ratio of $1.0-1.1$). It is architecture-agnostic: (a) its hierarchical vocabulary provides a strong inductive bias for coarsening residue-level embeddings from large PLMs into motif- and protein-level representations, consistently outperforming leading PSTs across $12$ tasks and $24$ test splits; (b) paired with a transformer, GeoBPE supports unconditional backbone generation via language modeling; and (c) tokens align with CATH functional families and support expert-interpretable case studies, offering functional meaning absent in prior PSTs. Code is available at https://github.com/shiningsunnyday/PT-BPE/.

Rendering novel, relit views of a human head, given a monocular portrait image as input, is an inherently underconstrained problem. The traditional graphics solution is to explicitly decompose the input image into geometry, material and lighting via differentiable rendering; but this is constrained by the multiple assumptions and approximations of the underlying models and parameterizations of these scene components. We propose 3DPR, an image-based relighting model that leverages generative priors learnt from multi-view One-Light-at-A-Time (OLAT) images captured in a light stage. We introduce a new diverse and large-scale multi-view 4K OLAT dataset of 139 subjects to learn a high-quality prior over the distribution of high-frequency face reflectance. We leverage the latent space of a pre-trained generative head model that provides a rich prior over face geometry learnt from in-the-wild image datasets. The input portrait is first embedded in the latent manifold of such a model through an encoder-based inversion process. Then a novel triplane-based reflectance network trained on our lightstage data is used to synthesize high-fidelity OLAT images to enable image-based relighting. Our reflectance network operates in the latent space of the generative head model, crucially enabling a relatively small number of lightstage images to train the reflectance model. Combining the generated OLATs according to a given HDRI environment maps yields physically accurate environmental relighting results. Through quantitative and qualitative evaluations, we demonstrate that 3DPR outperforms previous methods, particularly in preserving identity and in capturing lighting effects such as specularities, self-shadows, and subsurface scattering. Project Page: https://vcai.mpi-inf.mpg.de/projects/3dpr/

We introduce Kinematic Kitbashing, an optimization framework that synthesizes articulated 3D objects by assembling reusable parts conditioned on an abstract kinematic graph. Given the graph and a library of articulated parts, our method optimizes per-part similarity transformations that place, orient, and scale each component into a coherent articulated object; optional graph edits further enable novel assemblies beyond the prescribed connectivity. Central to our method is an exemplar-based analogy for part placement: each reused component is paired with a single source asset that exemplifies how it attaches to its parent. We capture this attachment context using vector distance fields and measure consistency by integrating the matching error over the joint's full motion range. This yields a kinematics-aware attachment energy that favors placements that preserve the exemplar's local attachment neighborhood throughout articulation. To incorporate task-level functionality, we use this attachment energy as a prior in an annealed Langevin sampling framework, enabling gradient-free optimization of black-box functionality objectives. We demonstrate the versatility of kinematic kitbashing across diverse applications, including instantiating kinematic graphs from user-selected or automatically retrieved parts, synthesizing assemblies with user-defined functionality, and re-targeting articulations via graph edits.

Biomolecular interaction modeling has been substantially advanced by foundation models, yet they often produce all-atom structures that violate basic steric feasibility. We address this limitation by enforcing physical validity as a strict constraint during both training and inference with a uniffed module. At its core is a differentiable projection that maps the provisional atom coordinates from the diffusion model to the nearest physically valid conffguration. This projection is achieved using a Gauss-Seidel scheme, which exploits the locality and sparsity of the constraints to ensure stable and fast convergence at scale. By implicit differentiation to obtain gradients, our module integrates seamlessly into existing frameworks for end-to-end ffnetuning. With our Gauss-Seidel projection module in place, two denoising steps are sufffcient to produce biomolecular complexes that are both physically valid and structurally accurate. Across six benchmarks, our 2-step model achieves the same structural accuracy as state-of-the-art 200-step diffusion baselines, delivering approximately 10 times faster wall-clock speed while guaranteeing physical validity. The code is available at https://github.com/chensiyuan030105/ProteinGS.git.

Global optimization of expensive, derivative-free black-box functions requires extreme sample efficiency. While Bayesian optimization (BO) is the current state-of-the-art, its performance hinges on surrogate and acquisition function hyper-parameters that are often hand-tuned and fail to generalize across problem landscapes. We present ZeroShotOpt, a general-purpose, pretrained model for continuous black-box optimization tasks ranging from 2D to 20D. Our approach leverages offline reinforcement learning on large-scale optimization trajectories collected from 12 BO variants. To scale pretraining, we generate millions of synthetic Gaussian process-based functions with diverse landscapes, enabling the model to learn transferable optimization policies. As a result, ZeroShotOpt achieves robust zero-shot generalization on a wide array of unseen benchmarks, matching or surpassing the sample efficiency of leading global optimizers, including BO, while also offering a reusable foundation for future extensions and improvements. Our open-source code, dataset, and model are available at: https://github.com/jamisonmeindl/zeroshotopt