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We introduce MolMiner, a fragment-based, geometry-aware, and order-agnostic autoregressive model for molecular design. MolMiner supports conditional generation of molecules over twelve properties, enabling flexible control across…
Regularized arrangement of primitives on building fa\c{c}ades to aligned locations and consistent sizes is important towards structured reconstruction of urban environment. Mixed integer linear programing was used to solve the problem,…
Materials that are lightweight yet exhibit superior mechanical properties are of compelling importance for several technological applications that range from aircrafts to household appliances. Lightweight materials allow energy saving and…
Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…
Visual understanding of geometric structures with complex spatial relationships is a fundamental component of human intelligence. As children, we learn how to reason about structure not only from observation, but also by interacting with…
Compared with traditional design methods, generative design significantly attracts engineers in various disciplines. In thiswork, howto achieve the real-time generative design of optimized structures with various diversities and…
Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites,…
Controllable scene synthesis consists of generating 3D information that satisfy underlying specifications. Thereby, these specifications should be abstract, i.e. allowing easy user interaction, whilst providing enough interface for detailed…
We address the problems of measuring geometric similarity between 3D scenes, represented through point clouds or range data frames, and associating them. Our approach leverages macro-scale 3D structural geometry - the relative configuration…
In this study, we address the challenge of 3D scene structure recovery from monocular depth estimation. While traditional depth estimation methods leverage labeled datasets to directly predict absolute depth, recent advancements advocate…
To create heterogeneous, multiscale structures with unprecedented functionalities, recent topology optimization approaches design either fully aperiodic systems or functionally graded structures, which compete in terms of design freedom and…
Developing fully parametric building models for performance-based generative design tasks often requires proficiency in many advanced 3D modeling and visual programming, limiting its use for many building designers. Moreover, iterations of…
We provide simple schemes to build Bayesian Neural Networks (BNNs), block by block, inspired by a recent idea of computation skeletons. We show how by adjusting the types of blocks that are used within the computation skeleton, we can…
Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we…
We investigate the problem of generating 3D meshes from single free-hand sketches, aiming at fast 3D modeling for novice users. It can be regarded as a single-view reconstruction problem, but with unique challenges, brought by the variation…
We build rearticulable models for arbitrary everyday man-made objects containing an arbitrary number of parts that are connected together in arbitrary ways via 1 degree-of-freedom joints. Given point cloud videos of such everyday objects,…
Articulated 3D object generation is fundamental for creating realistic, functional, and interactable virtual assets which are not simply static. We introduce MeshArt, a hierarchical transformer-based approach to generate articulated 3D…
With the capacity of modeling long-range dependencies in sequential data, transformers have shown remarkable performances in a variety of generative tasks such as image, audio, and text generation. Yet, taming them in generating less…
We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…
The shape of many objects in the built environment is dictated by their relationships to the human body: how will a person interact with this object? Existing data-driven generative models of 3D shapes produce plausible objects but do not…