Ruiqi Gao

Sherry Yang, Simon Batzner, Ruiqi Gao et al.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

Haian Jin, Rundi Wu, Tianyuan Zhang et al.

Feed-forward transformer models have driven rapid progress in 3D vision, but state-of-the-art methods such as VGGT and $π^3$ have a computational cost that scales quadratically with the number of input images, making them inefficient when applied to large image collections. Sequential-reconstruction approaches reduce this cost but sacrifice reconstruction quality. We introduce ZipMap, a stateful feed-forward model that achieves linear-time, bidirectional 3D reconstruction while matching or surpassing the accuracy of quadratic-time methods. ZipMap employs test-time training layers to zip an entire image collection into a compact hidden scene state in a single forward pass, enabling reconstruction of over 700 frames in under 10 seconds on a single H100 GPU, more than $20\times$ faster than state-of-the-art methods such as VGGT. Moreover, we demonstrate the benefits of having a stateful representation in real-time scene-state querying and its extension to sequential streaming reconstruction.

Rundi Wu, Ruiqi Gao, Ben Poole et al.

We present CAT4D, a method for creating 4D (dynamic 3D) scenes from monocular video. CAT4D leverages a multi-view video diffusion model trained on a diverse combination of datasets to enable novel view synthesis at any specified camera poses and timestamps. Combined with a novel sampling approach, this model can transform a single monocular video into a multi-view video, enabling robust 4D reconstruction via optimization of a deformable 3D Gaussian representation. We demonstrate competitive performance on novel view synthesis and dynamic scene reconstruction benchmarks, and highlight the creative capabilities for 4D scene generation from real or generated videos. See our project page for results and interactive demos: https://cat-4d.github.io/.

Emiel Hoogeboom, Thomas Mensink, Jonathan Heek et al.

Latent diffusion models have become the popular choice for scaling up diffusion models for high resolution image synthesis. Compared to pixel-space models that are trained end-to-end, latent models are perceived to be more efficient and to produce higher image quality at high resolution. Here we challenge these notions, and show that pixel-space models can be very competitive to latent models both in quality and efficiency, achieving 1.5 FID on ImageNet512 and new SOTA results on ImageNet128, ImageNet256 and Kinetics600. We present a simple recipe for scaling end-to-end pixel-space diffusion models to high resolutions. 1: Use the sigmoid loss-weighting (Kingma & Gao, 2023) with our prescribed hyper-parameters. 2: Use our simplified memory-efficient architecture with fewer skip-connections. 3: Scale the model to favor processing the image at a high resolution with fewer parameters, rather than using more parameters at a lower resolution. Combining these with guidance intervals, we obtain a family of pixel-space diffusion models we call Simpler Diffusion (SiD2).

Alex Trevithick, Roni Paiss, Philipp Henzler et al.

Novel-view synthesis techniques achieve impressive results for static scenes but struggle when faced with the inconsistencies inherent to casual capture settings: varying illumination, scene motion, and other unintended effects that are difficult to model explicitly. We present an approach for leveraging generative video models to simulate the inconsistencies in the world that can occur during capture. We use this process, along with existing multi-view datasets, to create synthetic data for training a multi-view harmonization network that is able to reconcile inconsistent observations into a consistent 3D scene. We demonstrate that our world-simulation strategy significantly outperforms traditional augmentation methods in handling real-world scene variations, thereby enabling highly accurate static 3D reconstructions in the presence of a variety of challenging inconsistencies. Project page: https://alextrevithick.github.io/simvs