Implicit Neural Representations for Chemical Reaction Paths

We show that neural networks can be optimized to represent minimum energy paths as continuous functions, offering a flexible alternative to discrete path-search methods like Nudged Elastic Band (NEB). Our approach parameterizes reaction paths with a network trained on a loss function that discards tangential energy gradients and enables instant estimation of the transition state. We first validate the method on two-dimensional potentials and then demonstrate its advantages over NEB on challenging atomistic systems where (i) poor initial guesses yield unphysical paths, (ii) multiple competing paths exist, or (iii) the reaction follows a complex multi-step mechanism. Results highlight the versatility of the method -- for instance, a simple adjustment to the sampling strategy during optimization can help escape local-minimum solutions. Finally, in a low-dimensional setting, we demonstrate that a single neural network can learn from existing paths and generalize to unseen systems, showing promise for a universal reaction path representation.

Making Large Language Models Better Planners with Reasoning-Decision Alignment

Data-driven approaches for autonomous driving (AD) have been widely adopted in the past decade but are confronted with dataset bias and uninterpretability. Inspired by the knowledge-driven nature of human driving, recent approaches explore the potential of large language models (LLMs) to improve understanding and decision-making in traffic scenarios. They find that the pretrain-finetune paradigm of LLMs on downstream data with the Chain-of-Thought (CoT) reasoning process can enhance explainability and scene understanding. However, such a popular strategy proves to suffer from the notorious problems of misalignment between the crafted CoTs against the consequent decision-making, which remains untouched by previous LLM-based AD methods. To address this problem, we motivate an end-to-end decision-making model based on multimodality-augmented LLM, which simultaneously executes CoT reasoning and carries out planning results. Furthermore, we propose a reasoning-decision alignment constraint between the paired CoTs and planning results, imposing the correspondence between reasoning and decision-making. Moreover, we redesign the CoTs to enable the model to comprehend complex scenarios and enhance decision-making performance. We dub our proposed large language planners with reasoning-decision alignment as RDA-Driver. Experimental evaluations on the nuScenes and DriveLM-nuScenes benchmarks demonstrate the effectiveness of our RDA-Driver in enhancing the performance of end-to-end AD systems. Specifically, our RDA-Driver achieves state-of-the-art planning performance on the nuScenes dataset with 0.80 L2 error and 0.32 collision rate, and also achieves leading results on challenging DriveLM-nuScenes benchmarks with 0.82 L2 error and 0.38 collision rate.

WildVidFit: Video Virtual Try-On in the Wild via Image-Based Controlled Diffusion Models

Video virtual try-on aims to generate realistic sequences that maintain garment identity and adapt to a person's pose and body shape in source videos. Traditional image-based methods, relying on warping and blending, struggle with complex human movements and occlusions, limiting their effectiveness in video try-on applications. Moreover, video-based models require extensive, high-quality data and substantial computational resources. To tackle these issues, we reconceptualize video try-on as a process of generating videos conditioned on garment descriptions and human motion. Our solution, WildVidFit, employs image-based controlled diffusion models for a streamlined, one-stage approach. This model, conditioned on specific garments and individuals, is trained on still images rather than videos. It leverages diffusion guidance from pre-trained models including a video masked autoencoder for segment smoothness improvement and a self-supervised model for feature alignment of adjacent frame in the latent space. This integration markedly boosts the model's ability to maintain temporal coherence, enabling more effective video try-on within an image-based framework. Our experiments on the VITON-HD and DressCode datasets, along with tests on the VVT and TikTok datasets, demonstrate WildVidFit's capability to generate fluid and coherent videos. The project page website is at wildvidfit-project.github.io.

AnimateZoo: Zero-shot Video Generation of Cross-Species Animation via Subject Alignment

Recent video editing advancements rely on accurate pose sequences to animate subjects. However, these efforts are not suitable for cross-species animation due to pose misalignment between species (for example, the poses of a cat differs greatly from that of a pig due to differences in body structure). In this paper, we present AnimateZoo, a zero-shot diffusion-based video generator to address this challenging cross-species animation issue, aiming to accurately produce animal animations while preserving the background. The key technique used in our AnimateZoo is subject alignment, which includes two steps. First, we improve appearance feature extraction by integrating a Laplacian detail booster and a prompt-tuning identity extractor. These components are specifically designed to capture essential appearance information, including identity and fine details. Second, we align shape features and address conflicts from differing subjects by introducing a scale-information remover. This ensures accurate cross-species animation. Moreover, we introduce two high-quality animal video datasets featuring a wide variety of species. Trained on these extensive datasets, our model is capable of generating videos characterized by accurate movements, consistent appearance, and high-fidelity frames, without the need for the pre-inference fine-tuning that prior arts required. Extensive experiments showcase the outstanding performance of our method in cross-species action following tasks, demonstrating exceptional shape adaptation capability. The project page is available at https://justinxu0.github.io/AnimateZoo/.

GaussCtrl: Multi-View Consistent Text-Driven 3D Gaussian Splatting Editing

We propose GaussCtrl, a text-driven method to edit a 3D scene reconstructed by the 3D Gaussian Splatting (3DGS). Our method first renders a collection of images by using the 3DGS and edits them by using a pre-trained 2D diffusion model (ControlNet) based on the input prompt, which is then used to optimise the 3D model. Our key contribution is multi-view consistent editing, which enables editing all images together instead of iteratively editing one image while updating the 3D model as in previous works. It leads to faster editing as well as higher visual quality. This is achieved by the two terms: (a) depth-conditioned editing that enforces geometric consistency across multi-view images by leveraging naturally consistent depth maps. (b) attention-based latent code alignment that unifies the appearance of edited images by conditioning their editing to several reference views through self and cross-view attention between images' latent representations. Experiments demonstrate that our method achieves faster editing and better visual results than previous state-of-the-art methods.

DNA Family: Boosting Weight-Sharing NAS with Block-Wise Supervisions

Neural Architecture Search (NAS), aiming at automatically designing neural architectures by machines, has been considered a key step toward automatic machine learning. One notable NAS branch is the weight-sharing NAS, which significantly improves search efficiency and allows NAS algorithms to run on ordinary computers. Despite receiving high expectations, this category of methods suffers from low search effectiveness. By employing a generalization boundedness tool, we demonstrate that the devil behind this drawback is the untrustworthy architecture rating with the oversized search space of the possible architectures. Addressing this problem, we modularize a large search space into blocks with small search spaces and develop a family of models with the distilling neural architecture (DNA) techniques. These proposed models, namely a DNA family, are capable of resolving multiple dilemmas of the weight-sharing NAS, such as scalability, efficiency, and multi-modal compatibility. Our proposed DNA models can rate all architecture candidates, as opposed to previous works that can only access a subsearch space using heuristic algorithms. Moreover, under a certain computational complexity constraint, our method can seek architectures with different depths and widths. Extensive experimental evaluations show that our models achieve state-of-the-art top-1 accuracy of 78.9% and 83.6% on ImageNet for a mobile convolutional network and a small vision transformer, respectively. Additionally, we provide in-depth empirical analysis and insights into neural architecture ratings. Codes available: \url{https://github.com/changlin31/DNA}.

NeRF-VPT: Learning Novel View Representations with Neural Radiance Fields via View Prompt Tuning

Neural Radiance Fields (NeRF) have garnered remarkable success in novel view synthesis. Nonetheless, the task of generating high-quality images for novel views persists as a critical challenge. While the existing efforts have exhibited commendable progress, capturing intricate details, enhancing textures, and achieving superior Peak Signal-to-Noise Ratio (PSNR) metrics warrant further focused attention and advancement. In this work, we propose NeRF-VPT, an innovative method for novel view synthesis to address these challenges. Our proposed NeRF-VPT employs a cascading view prompt tuning paradigm, wherein RGB information gained from preceding rendering outcomes serves as instructive visual prompts for subsequent rendering stages, with the aspiration that the prior knowledge embedded in the prompts can facilitate the gradual enhancement of rendered image quality. NeRF-VPT only requires sampling RGB data from previous stage renderings as priors at each training stage, without relying on extra guidance or complex techniques. Thus, our NeRF-VPT is plug-and-play and can be readily integrated into existing methods. By conducting comparative analyses of our NeRF-VPT against several NeRF-based approaches on demanding real-scene benchmarks, such as Realistic Synthetic 360, Real Forward-Facing, Replica dataset, and a user-captured dataset, we substantiate that our NeRF-VPT significantly elevates baseline performance and proficiently generates more high-quality novel view images than all the compared state-of-the-art methods. Furthermore, the cascading learning of NeRF-VPT introduces adaptability to scenarios with sparse inputs, resulting in a significant enhancement of accuracy for sparse-view novel view synthesis. The source code and dataset are available at \url{https://github.com/Freedomcls/NeRF-VPT}.

AlignMiF: Geometry-Aligned Multimodal Implicit Field for LiDAR-Camera Joint Synthesis

Neural implicit fields have been a de facto standard in novel view synthesis. Recently, there exist some methods exploring fusing multiple modalities within a single field, aiming to share implicit features from different modalities to enhance reconstruction performance. However, these modalities often exhibit misaligned behaviors: optimizing for one modality, such as LiDAR, can adversely affect another, like camera performance, and vice versa. In this work, we conduct comprehensive analyses on the multimodal implicit field of LiDAR-camera joint synthesis, revealing the underlying issue lies in the misalignment of different sensors. Furthermore, we introduce AlignMiF, a geometrically aligned multimodal implicit field with two proposed modules: Geometry-Aware Alignment (GAA) and Shared Geometry Initialization (SGI). These modules effectively align the coarse geometry across different modalities, significantly enhancing the fusion process between LiDAR and camera data. Through extensive experiments across various datasets and scenes, we demonstrate the effectiveness of our approach in facilitating better interaction between LiDAR and camera modalities within a unified neural field. Specifically, our proposed AlignMiF, achieves remarkable improvement over recent implicit fusion methods (+2.01 and +3.11 image PSNR on the KITTI-360 and Waymo datasets) and consistently surpasses single modality performance (13.8% and 14.2% reduction in LiDAR Chamfer Distance on the respective datasets).

Geometry aware 3D generation from in-the-wild images in ImageNet

Generating accurate 3D models is a challenging problem that traditionally requires explicit learning from 3D datasets using supervised learning. Although recent advances have shown promise in learning 3D models from 2D images, these methods often rely on well-structured datasets with multi-view images of each instance or camera pose information. Furthermore, these datasets usually contain clean backgrounds with simple shapes, making them expensive to acquire and hard to generalize, which limits the applicability of these methods. To overcome these limitations, we propose a method for reconstructing 3D geometry from the diverse and unstructured Imagenet dataset without camera pose information. We use an efficient triplane representation to learn 3D models from 2D images and modify the architecture of the generator backbone based on StyleGAN2 to adapt to the highly diverse dataset. To prevent mode collapse and improve the training stability on diverse data, we propose to use multi-view discrimination. The trained generator can produce class-conditional 3D models as well as renderings from arbitrary viewpoints. The class-conditional generation results demonstrate significant improvement over the current state-of-the-art method. Additionally, using PTI, we can efficiently reconstruct the whole 3D geometry from single-view images.

Tem-adapter: Adapting Image-Text Pretraining for Video Question Answer

Video-language pre-trained models have shown remarkable success in guiding video question-answering (VideoQA) tasks. However, due to the length of video sequences, training large-scale video-based models incurs considerably higher costs than training image-based ones. This motivates us to leverage the knowledge from image-based pretraining, despite the obvious gaps between image and video domains. To bridge these gaps, in this paper, we propose Tem-Adapter, which enables the learning of temporal dynamics and complex semantics by a visual Temporal Aligner and a textual Semantic Aligner. Unlike conventional pretrained knowledge adaptation methods that only concentrate on the downstream task objective, the Temporal Aligner introduces an extra language-guided autoregressive task aimed at facilitating the learning of temporal dependencies, with the objective of predicting future states based on historical clues and language guidance that describes event progression. Besides, to reduce the semantic gap and adapt the textual representation for better event description, we introduce a Semantic Aligner that first designs a template to fuse question and answer pairs as event descriptions and then learns a Transformer decoder with the whole video sequence as guidance for refinement. We evaluate Tem-Adapter and different pre-train transferring methods on two VideoQA benchmarks, and the significant performance improvement demonstrates the effectiveness of our method.