Bolt3D: Generating 3D Scenes in Seconds

We present a latent diffusion model for fast feed-forward 3D scene generation. Given one or more images, our model Bolt3D directly samples a 3D scene representation in less than seven seconds on a single GPU. We achieve this by leveraging powerful and scalable existing 2D diffusion network architectures to produce consistent high-fidelity 3D scene representations. To train this model, we create a large-scale multiview-consistent dataset of 3D geometry and appearance by applying state-of-the-art dense 3D reconstruction techniques to existing multiview image datasets. Compared to prior multiview generative models that require per-scene optimization for 3D reconstruction, Bolt3D reduces the inference cost by a factor of up to 300 times.

SimVS: Simulating World Inconsistencies for Robust View Synthesis

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

CAT4D: Create Anything in 4D with Multi-View Video Diffusion Models

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: \url{cat-4d.github.io}.

Simpler Diffusion (SiD2): 1.5 FID on ImageNet512 with pixel-space diffusion

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 in fact be very competitive to latent approaches both in quality and efficiency, achieving 1.5 FID on ImageNet512 and new SOTA results on ImageNet128 and ImageNet256. We present a simple recipe for scaling end-to-end pixel-space diffusion models to high resolutions. 1: Use the sigmoid loss (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 high resolution with fewer parameters, rather than using more parameters but at a lower resolution. When combining these three steps with recently proposed tricks like guidance intervals, we obtain a family of pixel-space diffusion models we call Simple Diffusion v2 (SiD2).

Think Twice Before You Act: Improving Inverse Problem Solving With MCMC

Recent studies demonstrate that diffusion models can serve as a strong prior for solving inverse problems. A prominent example is Diffusion Posterior Sampling (DPS), which approximates the posterior distribution of data given the measure using Tweedie's formula. Despite the merits of being versatile in solving various inverse problems without re-training, the performance of DPS is hindered by the fact that this posterior approximation can be inaccurate especially for high noise levels. Therefore, we propose \textbf{D}iffusion \textbf{P}osterior \textbf{MC}MC (\textbf{DPMC}), a novel inference algorithm based on Annealed MCMC to solve inverse problems with pretrained diffusion models. We define a series of intermediate distributions inspired by the approximated conditional distributions used by DPS. Through annealed MCMC sampling, we encourage the samples to follow each intermediate distribution more closely before moving to the next distribution at a lower noise level, and therefore reduce the accumulated error along the path. We test our algorithm in various inverse problems, including super resolution, Gaussian deblurring, motion deblurring, inpainting, and phase retrieval. Our algorithm outperforms DPS with less number of evaluations across nearly all tasks, and is competitive among existing approaches.

Generative Hierarchical Materials Search

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.

Limited Out-of-Context Knowledge Reasoning in Large Language Models

Large Language Models (LLMs) have demonstrated strong capabilities as knowledge bases and significant in-context reasoning capabilities. However, previous work challenges their out-of-context reasoning ability, i.e., the ability to infer information from their training data, instead of from the context or prompt. This paper focuses on a significant facet of out-of-context reasoning: Out-of-Context Knowledge Reasoning (OCKR), which is to combine multiple knowledge to infer new knowledge. We designed a synthetic dataset with seven representative OCKR tasks to systematically assess the OCKR capabilities of LLMs. Using this dataset, we evaluated the LLaMA2-13B-chat model and discovered that its proficiency in this aspect is limited, regardless of whether the knowledge is trained in a separate or adjacent training settings. Moreover, training the model to reason with complete reasoning data did not result in significant improvement. Training the model to perform explicit knowledge retrieval helps in only one of the tasks, indicating that the model's limited OCKR capabilities are due to difficulties in retrieving relevant knowledge. Furthermore, we treat cross-lingual knowledge transfer as a distinct form of OCKR, and evaluate this ability. Our results show that the evaluated model also exhibits limited ability in transferring knowledge across languages. The dataset used in this study is available at https://github.com/NJUNLP/ID-OCKR.

An Investigation of Conformal Isometry Hypothesis for Grid Cells

This paper investigates the conformal isometry hypothesis as a potential explanation for the emergence of hexagonal periodic patterns in the response maps of grid cells. The hypothesis posits that the activities of the population of grid cells form a high-dimensional vector in the neural space, representing the agent's self-position in 2D physical space. As the agent moves in the 2D physical space, the vector rotates in a 2D manifold in the neural space, driven by a recurrent neural network. The conformal isometry hypothesis proposes that this 2D manifold in the neural space is a conformally isometric embedding of the 2D physical space, in the sense that local displacements of the vector in neural space are proportional to local displacements of the agent in the physical space. Thus the 2D manifold forms an internal map of the 2D physical space, equipped with an internal metric. In this paper, we conduct numerical experiments to show that this hypothesis underlies the hexagon periodic patterns of grid cells. We also conduct theoretical analysis to further support this hypothesis. In addition, we propose a conformal modulation of the input velocity of the agent so that the recurrent neural network of grid cells satisfies the conformal isometry hypothesis automatically. To summarize, our work provides numerical and theoretical evidences for the conformal isometry hypothesis for grid cells and may serve as a foundation for further development of normative models of grid cells and beyond.

EM Distillation for One-step Diffusion Models

While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation with very few sampling steps, reliance on training data access, or mode-seeking optimization that may fail to capture the full distribution. We propose EM Distillation (EMD), a maximum likelihood-based approach that distills a diffusion model to a one-step generator model with minimal loss of perceptual quality. Our approach is derived through the lens of Expectation-Maximization (EM), where the generator parameters are updated using samples from the joint distribution of the diffusion teacher prior and inferred generator latents. We develop a reparametrized sampling scheme and a noise cancellation technique that together stabilizes the distillation process. We further reveal an interesting connection of our method with existing methods that minimize mode-seeking KL. EMD outperforms existing one-step generative methods in terms of FID scores on ImageNet-64 and ImageNet-128, and compares favorably with prior work on distilling text-to-image diffusion models.

Latent Energy-Based Odyssey: Black-Box Optimization via Expanded Exploration in the Energy-Based Latent Space

Offline Black-Box Optimization (BBO) aims at optimizing a black-box function using the knowledge from a pre-collected offline dataset of function values and corresponding input designs. However, the high-dimensional and highly-multimodal input design space of black-box function pose inherent challenges for most existing methods that model and operate directly upon input designs. These issues include but are not limited to high sample complexity, which relates to inaccurate approximation of black-box function; and insufficient coverage and exploration of input design modes, which leads to suboptimal proposal of new input designs. In this work, we consider finding a latent space that serves as a compressed yet accurate representation of the design-value joint space, enabling effective latent exploration of high-value input design modes. To this end, we formulate an learnable energy-based latent space, and propose Noise-intensified Telescoping density-Ratio Estimation (NTRE) scheme for variational learning of an accurate latent space model without costly Markov Chain Monte Carlo. The optimization process is then exploration of high-value designs guided by the learned energy-based model in the latent space, formulated as gradient-based sampling from a latent-variable-parameterized inverse model. We show that our particular parameterization encourages expanded exploration around high-value design modes, motivated by inversion thinking of a fundamental result of conditional covariance matrix typically used for variance reduction. We observe that our method, backed by an accurately learned informative latent space and an expanding-exploration model design, yields significant improvements over strong previous methods on both synthetic and real world datasets such as the design-bench suite.