8 accepted papers
Three-dimensional atomic arrangements of biomolecules are key to demystifying biological functions. The rapid expansion of accessible structural data, driven by advances in AI for science, highlights the critical challenge of efficiently modeling large-scale biomolecular structures, which are high-d
Generating long-horizon, all-atom molecular dynamics (MD) is difficult due to error accumulation in time-domain autoregressive models (causing drift) and fixed step-size constraints on temporal resolution. We propose **BioDynaSpec**, which reformulates protein dynamics as spatio-spectral generation:…
Understanding the structural dynamics of biomolecules is crucial for uncovering biological functions. As molecular dynamics (MD) simulation data becomes more available, deep generative models have been developed to synthesize realistic MD trajectories. However, existing methods produce fixed-length
Open-world reinforcement learning challenges agents to develop intelligent behavior in vast exploration spaces. Recent approaches like LS-Imagine have advanced the field by extending imagination horizons through jumpy state transitions, yet remain limited by fixed exploration mechanisms and static j…
The ability of scale-equivariance processing blocks plays a central role in arbitrary-scale image super-resolution tasks. Inspired by this crucial observation, this work proposes two novel scale-equivariant modules within a transformer-style framework to enhance arbitrary-scale image super-resolutio…
We develop a generalized 3D shape generation prior model, tailored for multiple 3D tasks including unconditional shape generation, point cloud completion, and cross-modality shape generation, etc. On one hand, to precisely capture local fine detailed shape information, a vector quantized variational…
While lightweight ViT framework has made tremendous progress in image super-resolution, its uni-dimensional self-attention modeling, as well as homogeneous aggregation scheme, limit its effective receptive field (ERF) to include more comprehensive interactions from both spatial and channel dimension…
Dynamic convolution has achieved significant gain in performance and computational complexity, thanks to its powerful representation capability given limited filter number/layers. However, SOTA dynamic convolution operators are sensitive to input noises (e.g., Gaussian noise, shot noise, e.t.c.) an…