21 accepted papers
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…
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…
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…
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…
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…
Endowing robots with tool design abilities is critical for enabling them to solve complex manipulation tasks that would otherwise be intractable. While recent generative frameworks can automatically synthesize task settings—such as 3D scenes and reward functions—they have not yet addressed the chall…
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,…
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…
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…
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…
Recent works have shown that interval bound propagation (IBP) can be used to train verifiably robust neural networks. Reseachers observe an intriguing phenomenon on these IBP trained networks: CROWN, a bounding method based on tight linear relaxation, often gives very loose bounds on these networks.…
Recent advances in adversarial attacks uncover the intrinsic vulnerability of modern deep neural networks. Since then, extensive efforts have been devoted to enhancing the robustness of deep networks via specialized learning algorithms and loss functions. In this work, we take an architectural persp…
Designing an effective loss function plays an important role in visual analysis. Most existing loss function designs rely on hand-crafted heuristics that require domain experts to explore the large design space, which is usually sub-optimal and time-consuming. In this paper, we propose AutoML for Lo…
In this paper, we propose an inverse reinforcement learning method for architecture search (IRLAS), which trains an agent to learn to search network structures that are topologically inspired by human-designed network. Most existing architecture search approaches totally neglect the topological char…
Data augmentation is critical to the success of modern deep learning techniques. In this paper, we propose Online Hyper-parameter Learning for Auto-Augmentation (OHL-Auto-Aug), an economical solution that learns the augmentation policy distribution along with network training. Unlike previous method…
In this paper, we propose a dual-agent deep reinforcement learning (DADRL) method for deformable face tracking, which generates bounding boxes and detects facial landmarks interactively from face videos. Most existing deformable face tracking methods learn models for these two tasks individually, an…