68 accepted papers
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 synth…
Neural architecture design lacks first principles: innovations are discovered empirically and justified post-hoc, with no systematic way to diagnose *why* an architecture fails or derive *what* repair will succeed. We introduce the *Axiomatic Atlas*, encoding requirements as composable axioms over g…
Accurate regression models are essential for scientific discovery, yet high-quality numeric labels are scarce and expensive. In contrast, rankings (especially pairwise) are easier to obtain from domain experts or artificial intelligence (AI) judges. We introduce Bayesian Enhancement with Calibrated…
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 stati…
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 simulato…
Differentiable simulators have advanced policy learning and model-based control across diverse robotic tasks. To date, actuator dynamics remain underexplored and are a major source of sim-to-real error, especially on low-cost platforms where the linear current–torque model τ = K_tI breaks down under…
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…
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 unified…
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 co…
The development of novel autonomous underwater gliders has been hindered by limited shape diversity, primarily due to the reliance on traditional design tools that depend heavily on manual trial and error. Building an automated design framework is challenging due to the complexities of representing
In this paper, we present an adaptive walker system designed to address limitations in current intelligent walker technologies. While recent advancements have been made in this field, existing systems often struggle to seamlessly interpret user intent for speed control and lack adaptability across d
Directed acyclic graphs (DAGs) are a class of graphs commonly used in practice, with examples that include electronic circuits, Bayesian networks, and neural architectures. While many effective encoders exist for DAGs, it remains challenging to decode them in a principled manner, because the nodes o…
Multi-part assembly poses significant challenges for robotic systems to execute long-horizon, contact-rich manipulation with generalization across complex geometries. We present a dual-arm robotic system capable of end-to-end planning and control for autonomous assembly of general multi-part objects…
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…
Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic inference. We propose Foundation Molecular Grammar (FMG), whic…
Differentiable simulation has become a powerful tool for system identification. While prior work has focused on identifying robot properties using robot-specific data or object properties using object-specific data, our approach calibrates object properties by using information from the robot, witho
Modular Self-Reconfigurable Robots offer exceptional adaptability and versatility through reconfiguration, but traditional rigid robot designs lack the compliance necessary for effective interaction with complex environments. Recent advancements in modular soft robots address this shortcoming with e
While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation across texts and graphs. To address this, we introduce Llamole,…
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 refinement technique…
Designing synthetically accessible molecules and recommending analogs to unsynthesizable molecules are important problems for accelerating molecular discovery. We reconceptualize both problems using ideas from program synthesis. Drawing inspiration from syntax-guided synthesis approaches, we decoupl…
We introduce TetSphere Splatting, a Lagrangian geometry representation designed for high-quality 3D shape modeling. TetSphere splatting leverages an underused yet powerful geometric primitive -- volumetric tetrahedral meshes. It represents 3D shapes by deforming a collection of tetrahedral spheres,…
Procedural materials, represented as functional node graphs, are ubiquitous in computer graphics for photorealistic material appearance design. They allow users to perform intuitive and precise editing to achieve desired visual appearances. However, creating a procedural material given an input imag…
The automated assembly of complex products requires a system that can automatically plan a physically feasible sequence of actions for assembling many parts together. In this paper, we present ASAP, a physics-based planning approach for automatically generating such a sequence for general-shaped ass…
Bayesian optimization has been successfully applied to optimize black-box functions where the number of evaluations is severely limited. However, in many real-world applications, it is hard or impossible to know in advance which designs are feasible due to some physical or system limitations. These…
The realism of digital avatars is crucial in enabling telepresence applications with self-expression and customization. While physical simulations can produce realistic motions for clothed humans they require high-quality garment assets with associated physical parameters for cloth simulations. Howe…
Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in phy…
Modeling and analyzing object and shape has been well studied in the past. However, manipulation of these complex tools and articulated objects remains difficult for autonomous agents. Our human hands, however, are dexterous and adaptive. We can easily adapt a manipulation skill on one object to all…
Despite recent exponential advancements in computer vision and reinforcement learning, it remains challenging for robots to interact with liquids. These challenges are particularly pronounced due to the limitations imposed by opaque containers, transparent liquids, fine-grained splashes, and visual…
Robots are often built from standardized assemblies, (e.g. arms, legs, or fingers), but each robot must be trained from scratch to control all the actuators of all the parts together. In this paper we demonstrate a new approach that takes a single robot and its controller as input and produces a set…
We present NeuralFluid, a novel framework to explore neural control and design of complex fluidic systems with dynamic solid boundaries. Our system features a fast differentiable Navier-Stokes solver with solid-fluid interface handling, a low-dimensional differentiable parametric geometry representa…
We present a computational framework that transforms single images into 3D physical objects. The visual geometry of a physical object in an image is determined by three orthogonal attributes: mechanical properties, external forces, and rest-shape geometry. Existing single-view 3D reconstruction meth…
Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex molecular structures with fewer examples that are carefully des…
The prediction of molecular properties is a crucial task in the field of material and drug discovery. The potential benefits of using deep learning techniques are reflected in the wealth of recent literature. Still, these techniques are faced with a common challenge in practice: Labeled data are lim…
We propose a hybrid neural network (NN) and PDE approach for learning generalizable PDE dynamics from motion observations. Many NN approaches learn an end-to-end model that implicitly models both the governing PDE and constitutive models (or material models). Without explicit PDE knowledge, these ap…
Efficient numerical solvers for partial differential equations empower science and engineering. One commonly employed numerical solver is the preconditioned conjugate gradient (PCG) algorithm, whose performance is largely affected by the preconditioner quality. However, designing high-performing pre…
Deep reinforcement learning can generate complex control policies, but requires large amounts of training data to work effectively. Recent work has attempted to address this issue by leveraging differentiable simulators. However, inherent problems such as local minima and exploding/vanishing numeric…
This paper introduces ActionSense, a multimodal dataset and recording framework with an emphasis on wearable sensing in a kitchen environment. It provides rich, synchronized data streams along with ground truth data to facilitate learning pipelines that could extract insights about how humans inter…
Traditional robotic manipulator design methods require extensive, time-consuming, and manual trial and error to produce a viable design. During this process, engineers often spend their time redesigning or reshaping components as they discover better topologies for the robotic manipula-tor. Tactile…
Unmanned aerial vehicles (UAVs) have broad applications including disaster response, transportation, photography, and mapping. A significant bottleneck in the development of UAVs is the limited availability of automatic tools for task-specific co-design of a UAV's shape and controller. The developme…
The problem of molecular generation has received significant attention recently. Existing methods are typically based on deep neural networks and require training on large datasets with tens of thousands of samples. In practice, however, the size of class-specific chemical datasets is usually limite…
Efficient simulation of tactile sensors can unlock new opportunities for learning tactile-based manipulation policies in simulation and then transferring the learned policy to real systems, but fast and reliable simulators for dense tactile normal and shear force fields are still under-explored. We…
Aquatic locomotion is a classic fluid-structure interaction (FSI) problem of interest to biologists and engineers. Solving the fully coupled FSI equations for incompressible Navier-Stokes and finite elasticity is computationally expensive. Optimizing robotic swimmer design within such a system gener…
Autonomous underwater vehicles (AUVs) are spe-cialized robots that are commonly used for seafloor surveying and ocean water sampling. Computational design approaches have emerged to reduce the effort required to design both individual AUVs as well as fleets. As the number and scale of underwater mis…
Physical products are often complex assemblies combining a multitude of 3D parts modeled in computer-aided design (CAD) software. CAD designers build up these assemblies by aligning individual parts to one another using constraints called joints. In this paper we introduce JoinABLe, a learning-based…
This work considers identifying parameters characterizing a physical system's dynamic motion directly from a video whose rendering configurations are inaccessible. Existing solutions require massive training data or lack generalizability to unknown rendering configurations. We propose a novel approa…
Accurate simulation of soft mechanisms under dynamic actuation is critical for the design of soft robots. We address this gap with our differentiable simulation tool by learning the material parameters of our soft robotic fish. On the example of a soft robotic fish, we demonstrate an experimentally-…
The current dominant paradigm for robotic manipulation involves two separate stages: manipulator design and control. Because the robot's morphology and how it can be controlled are intimately linked; joint optimization of design and control can significantly improve performance. Existing methods for…
Unlike rigid robots which operate with compact degrees of freedom, soft robots must reason about an infinite dimensional state space. Mapping this continuum state space presents significant challenges, especially when working with a finite set of discrete sensors. Reconstructing the robot's state fr
Tactile sensing is critical for humans to perform everyday tasks. While significant progress has been made in analyzing object grasping from vision, it remains unclear how we can utilize tactile sensing to reason about and model the dynamics of hand-object interactions. In this work, we employ a hig…
Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and co…
Daily human activities, e.g., locomotion, exercises, and resting, are heavily guided by the tactile interactions between the human and the ground. In this work, leveraging such tactile interactions, we propose a 3D human pose estimation approach using the pressure maps recorded by a tactile carpet a…
The reflectance field of a face describes the reflectance properties responsible for complex lighting effects including diffuse, specular, inter-reflection and self shadowing. Most existing methods for estimating the face reflectance from a monocular image assume faces to be diffuse with very few ap…
We present methods for co-designing rigid robots over control and morphology (including discrete topology) over multiple objectives. Previous work has addressed problems in single-objective robot co-design or multi-objective control. However, the joint multi-objective co-design problem is extremely…
Underwater soft robots are challenging to model and control because of their high degrees of freedom and their intricate coupling with water. In this letter, we present a method that leverages the recent development in differentiable simulation coupled with a differentiable, analytical hydrodynamic
Many science, engineering, and design optimization problems require balancing the trade-offs between several conflicting objectives. The objectives are often black-box functions whose evaluations are time-consuming and costly. Multi-objective Bayesian optimization can be used to automate the process…
Tasks in multi-task learning often correlate, conflict, or even compete with each other. As a result, a single solution that is optimal for all tasks rarely exists. Recent papers introduced the concept of Pareto optimality to this field and directly cast multi-task learning as multi-objective optimi…
Many real-world control problems involve conflicting objectives where we desire a dense and high-quality set of control policies that are optimal for different objective preferences (called Pareto-optimal). While extensive research in multi-objective reinforcement learning (MORL) has been conducted…
Physical simulators have been widely used in robot planning and control. Among them, differentiable simulators are particularly favored, as they can be incorporated into gradient-based optimization algorithms that are efficient in solving inverse problems such as optimal control and motion planning.…
Understanding where people are looking is an informative social cue. In this work, we present Gaze360, a large-scale remote gaze-tracking dataset and method for robust 3D gaze estimation in unconstrained images. Our dataset consists of 238 subjects in indoor and outdoor environments with labelled 3D…
Soft robots have continuum solid bodies that can deform in an infinite number of ways. Controlling soft robots is very challenging as there are no closed form solutions. We present a learning-in-the-loop co-optimization algorithm in which a latent state representation is learned as the robot figure…
Motivated by the recent potential of mass customization brought by whole-garment knitting machines, we introduce the new problem of automatic machine instruction generation using a single image of the desired physical product, which we apply to machine knitting. We propose to tackle this problem by…
How much can we infer about a person's looks from the way they speak? In this paper, we study the task of reconstructing a facial image of a person from a short audio recording of that person speaking. We design and train a deep neural network to perform this task using millions of natural Internet/…
Illumination is a critical element of photography and is essential for many computer vision tasks. Flash light is unique in the sense that it is a widely available tool for easily manipulating the scene illumination. We present a dataset of thousands of ambient and flash illumination pairs to enable…
We introduce a saliency-based distortion layer for convolutional neural networks that helps to improve the spatial sampling of input data for a given task. Our differentiable layer can be added as a preprocessing block to existing task networks and trained altogether in an end-to-end fashion. The ef…
Video motion magnification techniques allow us to see small motions previously invisible to the naked eyes, such as those of vibrating airplane wings, or swaying buildings under the influence of the wind. Because the motion is small, the magnification results are prone to noise or excessive blurring…
Despite the ubiquity of carpentered items, the customization of carpentered items remains labor intensive. The generation of laymen editable templates for carpentry is difficult. Current design tools rely heavily on CNC fabrication, limiting applicability. We develop a template based system for carp…
Reflections can obstruct content during video capture and hence their removal is desirable. Current removal techniques are designed for still images, extracting only one reflection (foreground) and one background layer from the input. When extended to videos, unpleasant artifacts such as temporal fl…
From scientific research to commercial applications, eye tracking is an important tool across many domains. Despite its range of applications, eye tracking has yet to become a pervasive technology. We believe that we can put the power of eye tracking in everyone's palm by building eye tracking softw…