arXiv subjects

Wojciech Matusik

Publications and source records attributed to Wojciech Matusik.

At least 37 records · Page 2Linked to original sources

arXiv2026

Soft Anisotropic Diagrams for Differentiable Image Representation

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.

cs.CV↗

arXiv2026

Raiven: LLM-Based Visualization Authoring via Domain-Specific Language Mediation

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.

cs.HC↗

arXiv2026

UMO: Unified In-Context Learning Unlocks Motion Foundation Model Priors

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/

cs.CV↗

arXiv2026

M-ABD: Scalable, Efficient, and Robust Multi-Affine-Body Dynamics

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.

cs.GR↗

arXiv2026

Physically Valid Biomolecular Interaction Modeling with Gauss-Seidel Projection

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.

q-bio.BM↗

arXiv2026

A Genetic Algorithm for Navigating Synthesizable Molecular Spaces

Inspired by the effectiveness of genetic algorithms and the importance of synthesizability in molecular design, we present SynGA, a simple genetic algorithm that operates directly over synthesis routes. Our method features custom crossover and mutation operators that explicitly constrain it to synthesizable molecular space. By modifying the fitness function, we demonstrate the effectiveness of SynGA on a variety of design tasks, including synthesizable analog search and sample-efficient property optimization, for both 2D and 3D objectives. Furthermore, by coupling SynGA with a machine learning-based filter that focuses the building block set, we boost SynGA to state-of-the-art performance. For property optimization, this manifests as a model-based variant SynGBO, which employs SynGA and block filtering in the inner loop of Bayesian optimization. Since SynGA is lightweight and enforces synthesizability by construction, our hope is that SynGA can not only serve as a strong standalone baseline but also as a versatile module that can be incorporated into larger synthesis-aware workflows in the future.

cs.LG↗

arXiv2026

Protein Structure Tokenization via Geometric Byte Pair Encoding

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/.

q-bio.QM↗

arXiv2026

PhyScensis: Physics-Augmented LLM Agents for Complex Physical Scene Arrangement

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.

cs.RO↗

arXiv2025

OPENTOUCH: Bringing Full-Hand Touch to Real-World Interaction

The human hand is our primary interface to the physical world, yet egocentric perception rarely knows when, where, or how forcefully it makes contact. Robust wearable tactile sensors are scarce, and no existing in-the-wild datasets align first-person video with full-hand touch. To bridge the gap between visual perception and physical interaction, we present OpenTouch, the first in-the-wild egocentric full-hand tactile dataset, containing 5.1 hours of synchronized video-touch-pose data and 2,900 curated clips with detailed text annotations. Using OpenTouch, we introduce retrieval and classification benchmarks that probe how touch grounds perception and action. We show that tactile signals provide a compact yet powerful cue for grasp understanding, strengthen cross-modal alignment, and can be reliably retrieved from in-the-wild video queries. By releasing this annotated vision-touch-pose dataset and benchmark, we aim to advance multimodal egocentric perception, embodied learning, and contact-rich robotic manipulation.

cs.CV↗

arXiv2025

Neural Modular Physics for Elastic Simulation

Learning-based methods have made significant progress in physics simulation, typically approximating dynamics with a monolithic end-to-end optimized neural network. Although these models offer an effective way to simulation, they may lose essential features compared to traditional numerical simulators, such as physical interpretability and reliability. Drawing inspiration from classical simulators that operate in a modular fashion, this paper presents Neural Modular Physics (NMP) for elastic simulation, which combines the approximation capacity of neural networks with the physical reliability of traditional simulators. Beyond the previous monolithic learning paradigm, NMP enables direct supervision of intermediate quantities and physical constraints by decomposing elastic dynamics into physically meaningful neural modules connected through intermediate physical quantities. With a specialized architecture and training strategy, our method transforms the numerical computation flow into a modular neural simulator, achieving improved physical consistency and generalizability. Experimentally, NMP demonstrates superior generalization to unseen initial conditions and resolutions, stable long-horizon simulation, better preservation of physical properties compared to other neural simulators, and greater feasibility in scenarios with unknown underlying dynamics than traditional simulators.

cs.LG↗

arXiv2025

Replicating Human Anatomy with Vision Controlled Jetting -- A Pneumatic Musculoskeletal Hand and Forearm

The functional replication and actuation of complex structures inspired by nature is a longstanding goal for humanity. Creating such complex structures combining soft and rigid features and actuating them with artificial muscles would further our understanding of natural kinematic structures. We printed a biomimetic hand in a single print process comprised of a rigid skeleton, soft joint capsules, tendons, and printed touch sensors. We showed it's actuation using electric motors. In this work, we expand on this work by adding a forearm that is also closely modeled after the human anatomy and replacing the hand's motors with 22 independently controlled pneumatic artificial muscles (PAMs). Our thin, high-strain (up to 30.1%) PAMs match the performance of state-of-the-art artificial muscles at a lower cost. The system showcases human-like dexterity with independent finger movements, demonstrating successful grasping of various objects, ranging from a small, lightweight coin to a large can of 272g in weight. The performance evaluation, based on fingertip and grasping forces along with finger joint range of motion, highlights the system's potential.

cs.RO↗

arXiv2025

FlashBias: Fast Computation of Attention with Bias

Attention with bias, which extends standard attention by introducing prior knowledge as an additive bias matrix to the query-key scores, has been widely deployed in vision, language, protein-folding and other advanced scientific models, underscoring its status as a key evolution of this foundational module. However, introducing bias terms creates a severe efficiency bottleneck in attention computation. It disrupts the tightly fused memory-compute pipeline that underlies the speed of accelerators like FlashAttention, thereby stripping away most of their performance gains and leaving biased attention computationally expensive. Surprisingly, despite its common usage, targeted efficiency optimization for attention with bias remains absent, which seriously hinders its application in complex tasks. Diving into the computation of FlashAttention, we prove that its optimal efficiency is determined by the rank of the attention weight matrix. Inspired by this theoretical result, this paper presents FlashBias based on the low-rank compressed sensing theory, which can provide fast-exact computation for many widely used attention biases and a fast-accurate approximation for biases in general formalizations. FlashBias can fully take advantage of the extremely optimized matrix multiplication operation in modern GPUs, achieving 1.5$\times$ speedup for Pairformer in AlphaFold 3, and over 2$\times$ speedup for attention with bias in vision and language models without loss of accuracy. Code is available at this repository: https://github.com/thuml/FlashBias.

cs.LG↗

arXiv2025

3DPR: Single Image 3D Portrait Relight using Generative Priors

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/

cs.CV↗

arXiv2025

ZeroShotOpt: Towards Zero-Shot Pretrained Models for Efficient Black-Box Optimization

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

cs.LG↗

arXiv2025

Post Hoc Regression Refinement via Pairwise Rankings

Accurate prediction of continuous properties is essential to many scientific and engineering tasks. Although deep-learning regressors excel with abundant labels, their accuracy deteriorates in data-scarce regimes. We introduce RankRefine, a model-agnostic, plug-and-play post hoc method that refines regression with expert knowledge coming from pairwise rankings. Given a query item and a small reference set with known properties, RankRefine combines the base regressor's output with a rank-based estimate via inverse variance weighting, requiring no retraining. In molecular property prediction task, RankRefine achieves up to 10% relative reduction in mean absolute error using only 20 pairwise comparisons obtained through a general-purpose large language model (LLM) with no finetuning. As rankings provided by human experts or general-purpose LLMs are sufficient for improving regression across diverse domains, RankRefine offers practicality and broad applicability, especially in low-data settings.

cs.LG↗

arXiv2025

Newton to Einstein: Axiom-Based Discovery via Game Design

This position paper argues that machine learning for scientific discovery should shift from inductive pattern recognition to axiom-based reasoning. We propose a game design framework in which scientific inquiry is recast as a rule-evolving system: agents operate within environments governed by axioms and modify them to explain outlier observations. Unlike conventional ML approaches that operate within fixed assumptions, our method enables the discovery of new theoretical structures through systematic rule adaptation. We demonstrate the feasibility of this approach through preliminary experiments in logic-based games, showing that agents can evolve axioms that solve previously unsolvable problems. This framework offers a foundation for building machine learning systems capable of creative, interpretable, and theory-driven discovery.

cs.CE↗

arXiv2025

MetaGen: A DSL, Database, and Benchmark for VLM-Assisted Metamaterial Generation

Metamaterials are micro-architected structures whose geometry imparts highly tunable-often counter-intuitive-bulk properties. Yet their design is difficult because of geometric complexity and a non-trivial mapping from architecture to behaviour. We address these challenges with three complementary contributions. (i) MetaDSL: a compact, semantically rich domain-specific language that captures diverse metamaterial designs in a form that is both human-readable and machine-parsable. (ii) MetaDB: a curated repository of more than 150,000 parameterized MetaDSL programs together with their derivatives-three-dimensional geometry, multi-view renderings, and simulated elastic properties. (iii) MetaBench: benchmark suites that test three core capabilities of vision-language metamaterial assistants-structure reconstruction, property-driven inverse design, and performance prediction. We establish baselines by fine-tuning state-of-the-art vision-language models and deploy an omni-model within an interactive, CAD-like interface. Case studies show that our framework provides a strong first step toward integrated design and understanding of structure-representation-property relationships.

cs.CV↗

arXiv2025

Two-Stage Pretraining for Molecular Property Prediction in the Wild

Molecular deep learning models have achieved remarkable success in property prediction, but they often require large amounts of labeled data. The challenge is that, in real-world applications, labels are extremely scarce, as obtaining them through laboratory experimentation is both expensive and time-consuming. In this work, we introduce MoleVers, a versatile pretrained molecular model designed for various types of molecular property prediction in the wild, i.e., where experimentally-validated labels are scarce. MoleVers employs a two-stage pretraining strategy. In the first stage, it learns molecular representations from unlabeled data through masked atom prediction and extreme denoising, a novel task enabled by our newly introduced branching encoder architecture and dynamic noise scale sampling. In the second stage, the model refines these representations through predictions of auxiliary properties derived from computational methods, such as the density functional theory or large language models. Evaluation on 22 small, experimentally-validated datasets demonstrates that MoleVers achieves state-of-the-art performance, highlighting the effectiveness of its two-stage framework in producing generalizable molecular representations for diverse downstream properties.

cs.LG↗