Related papers: PolyConf: Unlocking Polymer Conformation Generatio…
Mesoscale behavior of polymers is frequently described by universal laws. This physical property motivates us to propose a new modeling concept, grouping polymers into classes with a common long-wavelength representation. In the same class…
The development of higher order finite elements methods has become an active research area. The deformation method for mesh generation has achieved a prescribed positive Jacobian determinant constraint and it has been a useful method for…
Cyclic molecules are ubiquitous across applications in chemistry and biology. Their restricted conformational flexibility provides structural pre-organization that is key to their function in drug discovery and catalysis. However, reliably…
Excitement at the prospect of using data-driven generative models to sample configurational ensembles of biomolecular systems stems from the extraordinary success of these models on a diverse set of high-dimensional sampling tasks. Unlike…
Despite their impressive visual fidelity, existing personalized image generators lack interactive control over spatial composition and scale poorly to multiple humans. To address these limitations, we present LayerComposer, an interactive…
Deep generative models have shown promise for modeling metal-organic frameworks (MOFs), but existing approaches (1) rely on coarse-grained representations that assume fixed bond lengths and angles, and (2) neglect the MOF-adsorbate…
We propose an approach to synthesize linear feedback controllers for linear systems in polygonal environments. Our method focuses on designing a robust controller that can account for uncertainty in measurements. Its inputs are provided by…
Correctly capturing the symmetry transformations of data can lead to efficient models with strong generalization capabilities, though methods incorporating symmetries often require prior knowledge. While recent advancements have been made…
Customization techniques for text-to-image models have paved the way for a wide range of previously unattainable applications, enabling the generation of specific concepts across diverse contexts and styles. While existing methods…
Automated diagnostic systems (ADS) have shown significant potential in the early detection of polyps during endoscopic examinations, thereby reducing the incidence of colorectal cancer. However, due to high annotation costs and strict…
The recent development of nanoscale fillers, such as carbon nanotube, graphene, and nanocellulose, allows the functionality of polymer nanocomposites to be controlled and enhanced. However, conventional synthesis methods of polymer…
Proteins exist as a dynamic ensemble of multiple conformations, and these motions are often crucial for their functions. However, current structure prediction methods predominantly yield a single conformation, overlooking the conformational…
Training general robotic policies from heterogeneous data for different tasks is a significant challenge. Existing robotic datasets vary in different modalities such as color, depth, tactile, and proprioceptive information, and collected in…
Despite recent advancements in 3D generation methods, achieving controllability still remains a challenging issue. Current approaches utilizing score-distillation sampling are hindered by laborious procedures that consume a significant…
High-order quadrilateral meshes offer superior accuracy and computational efficiency in numerical simulations. However, existing methods struggle to simultaneously preserve boundary/interface features, ensure high quality, and achieve…
An infinite hierarchy of layering transitions exists for model polymers in solution under poor solvent or low temperatures and near an attractive surface. A flat histogram stochastic growth algorithm known as FlatPERM has been used on a…
We propose conformal generative modeling, a framework for generative modeling on 2D surfaces approximated by discrete triangle meshes. Our approach leverages advances in discrete conformal geometry to develop a map from a source triangle…
The conformational behavior of a coarse-grained finite polymer chain near an attractive spherical surface was investigated by means of multicanonical Monte Carlo computer simulations. In a detailed analysis of canonical equilibrium data…
We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure…
Generally, the normal displacement-based formation control has a sensing mode that requires the agent not only to have certain knowledge of its direction, but also to gather its local information characterized by nonnegative coupling…