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Recent studies have introduced a new class of generative models for synthesizing implicit neural representations (INRs) that capture arbitrary continuous signals in various domains. These models opened the door for domain-agnostic generative models, but they often fail to achieve high-quality generation. We observed that the existing methods generate the weights of neural networks to parameterize INRs and evaluate the network with fixed positional embeddings (PEs). Arguably, this architecture limits the expressive power of generative models and results in low-quality INR generation. To address this limitation, we propose Domain-agnostic Latent Diffusion Model for INRs (DDMI) that generates adaptive positional embeddings instead of neural networks' weights. Specifically, we develop a Discrete-to-continuous space Variational AutoEncoder (D2C-VAE), which seamlessly connects discrete data and the continuous signal functions in the shared latent space. Additionally, we introduce a novel conditioning mechanism for evaluating INRs with the hierarchically decomposed PEs to further enhance expressive power. Extensive experiments across four modalities, e.g., 2D images, 3D shapes, Neural Radiance Fields, and videos, with seven benchmark datasets, demonstrate the versatility of DDMI and its superior performance compared to the existing INR generative models.

Chain-of-Thought (CoT) prompting along with sub-question generation and answering has enhanced multi-step reasoning capabilities of Large Language Models (LLMs). However, prompting the LLMs to directly generate sub-questions is suboptimal since they sometimes generate redundant or irrelevant questions. To deal with them, we propose a GE-Reasoning method, which directs LLMs to generate proper sub-questions and corresponding answers. Concretely, given an input question, we first prompt the LLM to generate knowledge triplets, forming a graph representation of the question. Unlike conventional knowledge triplets, our approach allows variables as head or tail entities, effectively representing a question as knowledge triplets. Second, for each triplet, the LLM generates a corresponding sub-question and answer along with using knowledge retrieval. If the prediction confidence exceeds a threshold, the sub-question and prediction are incorporated into the prompt for subsequent processing. This approach encourages that sub-questions are grounded in the extracted knowledge triplets, reducing redundancy and irrelevance. Our experiments demonstrate that our approach outperforms previous CoT prompting methods and their variants on multi-hop question answering benchmark datasets., Comment: Preprint

Neural Radiance Field (NeRF) has enabled novel view synthesis with high fidelity given images and camera poses. Subsequent works even succeeded in eliminating the necessity of pose priors by jointly optimizing NeRF and camera pose. However, these works are limited to relatively simple settings such as photometrically consistent and occluder-free image collections or a sequence of images from a video. So they have difficulty handling unconstrained images with varying illumination and transient occluders. In this paper, we propose $\textbf{UP-NeRF}$ ($\textbf{U}$nconstrained $\textbf{P}$ose-prior-free $\textbf{Ne}$ural $\textbf{R}$adiance $\textbf{F}$ields) to optimize NeRF with unconstrained image collections without camera pose prior. We tackle these challenges with surrogate tasks that optimize color-insensitive feature fields and a separate module for transient occluders to block their influence on pose estimation. In addition, we introduce a candidate head to enable more robust pose estimation and transient-aware depth supervision to minimize the effect of incorrect prior. Our experiments verify the superior performance of our method compared to the baselines including BARF and its variants in a challenging internet photo collection, $\textit{Phototourism}$ dataset., Comment: Neural Information Processing Systems (NeurIPS), 2023. The code is available at https://github.com/mlvlab/UP-NeRF

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders leads to effective and efficient Bayesian optimization for structured or discrete data. However, as the optimization does not take place in the input space, it leads to an inherent gap that results in potentially suboptimal solutions. To alleviate the discrepancy, we propose Correlated latent space Bayesian Optimization (CoBO), which focuses on learning correlated latent spaces characterized by a strong correlation between the distances in the latent space and the distances within the objective function. Specifically, our method introduces Lipschitz regularization, loss weighting, and trust region recoordination to minimize the inherent gap around the promising areas. We demonstrate the effectiveness of our approach on several optimization tasks in discrete data, such as molecule design and arithmetic expression fitting, and achieve high performance within a small budget.

We present a learning framework for reconstructing neural scene representations from a small number of unconstrained tourist photos. Since each image contains transient occluders, decomposing the static and transient components is necessary to construct radiance fields with such in-the-wild photographs where existing methods require a lot of training data. We introduce SF-NeRF, aiming to disentangle those two components with only a few images given, which exploits semantic information without any supervision. The proposed method contains an occlusion filtering module that predicts the transient color and its opacity for each pixel, which enables the NeRF model to solely learn the static scene representation. This filtering module learns the transient phenomena guided by pixel-wise semantic features obtained by a trainable image encoder that can be trained across multiple scenes to learn the prior of transient objects. Furthermore, we present two techniques to prevent ambiguous decomposition and noisy results of the filtering module. We demonstrate that our method outperforms state-of-the-art novel view synthesis methods on Phototourism dataset in a few-shot setting., Comment: 11 pages, 5 figures

Multi-resolution hash encoding has recently been proposed to reduce the computational cost of neural renderings, such as NeRF. This method requires accurate camera poses for the neural renderings of given scenes. However, contrary to previous methods jointly optimizing camera poses and 3D scenes, the naive gradient-based camera pose refinement method using multi-resolution hash encoding severely deteriorates performance. We propose a joint optimization algorithm to calibrate the camera pose and learn a geometric representation using efficient multi-resolution hash encoding. Showing that the oscillating gradient flows of hash encoding interfere with the registration of camera poses, our method addresses the issue by utilizing smooth interpolation weighting to stabilize the gradient oscillation for the ray samplings across hash grids. Moreover, the curriculum training procedure helps to learn the level-wise hash encoding, further increasing the pose refinement. Experiments on the novel-view synthesis datasets validate that our learning frameworks achieve state-of-the-art performance and rapid convergence of neural rendering, even when initial camera poses are unknown.

Recent studies have proven that DNNs, unlike human vision, tend to exploit texture information rather than shape. Such texture bias is one of the factors for the poor generalization performance of DNNs. We observe that the texture bias negatively affects not only in-domain generalization but also out-of-distribution generalization, i.e., Domain Generalization. Motivated by the observation, we propose a new framework to reduce the texture bias of a model by a novel optimization-based data augmentation, dubbed Stylized Dream. Our framework utilizes adaptive instance normalization (AdaIN) to augment the style of an original image yet preserve the content. We then adopt a regularization loss to predict consistent outputs between Stylized Dream and original images, which encourages the model to learn shape-based representations. Extensive experiments show that the proposed method achieves state-of-the-art performance in out-of-distribution settings on public benchmark datasets: PACS, VLCS, OfficeHome, TerraIncognita, and DomainNet., Comment: 23 pages, 4 figures

Normalizing flows model probability distributions by learning invertible transformations that transfer a simple distribution into complex distributions. Since the architecture of ResNet-based normalizing flows is more flexible than that of coupling-based models, ResNet-based normalizing flows have been widely studied in recent years. Despite their architectural flexibility, it is well-known that the current ResNet-based models suffer from constrained Lipschitz constants. In this paper, we propose the monotone formulation to overcome the issue of the Lipschitz constants using monotone operators and provide an in-depth theoretical analysis. Furthermore, we construct an activation function called Concatenated Pila (CPila) to improve gradient flow. The resulting model, Monotone Flows, exhibits an excellent performance on multiple density estimation benchmarks (MNIST, CIFAR-10, ImageNet32, ImageNet64). Code is available at https://github.com/mlvlab/MonotoneFlows., Comment: NeurIPS 2022

Data augmentation is key to improving the generalization ability of deep learning models. Mixup is a simple and widely-used data augmentation technique that has proven effective in alleviating the problems of overfitting and data scarcity. Also, recent studies of saliency-aware Mixup in the image domain show that preserving discriminative parts is beneficial to improving the generalization performance. However, these Mixup-based data augmentations are underexplored in 3D vision, especially in point clouds. In this paper, we propose SageMix, a saliency-guided Mixup for point clouds to preserve salient local structures. Specifically, we extract salient regions from two point clouds and smoothly combine them into one continuous shape. With a simple sequential sampling by re-weighted saliency scores, SageMix preserves the local structure of salient regions. Extensive experiments demonstrate that the proposed method consistently outperforms existing Mixup methods in various benchmark point cloud datasets. With PointNet++, our method achieves an accuracy gain of 2.6% and 4.0% over standard training in 3D Warehouse dataset (MN40) and ScanObjectNN, respectively. In addition to generalization performance, SageMix improves robustness and uncertainty calibration. Moreover, when adopting our method to various tasks including part segmentation and standard 2D image classification, our method achieves competitive performance., Comment: Neural Information Processing Systems (NeurIPS), 2022

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of full dot-product attention on graphs such as the quadratic complexity with respect to the number of nodes and message aggregation from enormous irrelevant nodes. To address these issues, we propose Deformable Graph Transformer (DGT) that performs sparse attention via dynamically sampled relevant nodes for efficiently handling large-scale graphs with a linear complexity in the number of nodes. Specifically, our framework first constructs multiple node sequences with various criteria to consider both structural and semantic proximity. Then, combining with our learnable Katz Positional Encodings, the sparse attention is applied to the node sequences for learning node representations with a significantly reduced computational cost. Extensive experiments demonstrate that our DGT achieves state-of-the-art performance on 7 graph benchmark datasets with 2.5 - 449 times less computational cost compared to transformer-based graph models with full attention., Comment: 16 pages, 3 figures

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and graph classification. However, since GNNs heavily rely on smoothed node features rather than graph structure, they often show poor performance than simple heuristic methods in link prediction where the structural information, e.g., overlapped neighborhoods, degrees, and shortest paths, is crucial. To address this limitation, we propose Neighborhood Overlap-aware Graph Neural Networks (Neo-GNNs) that learn useful structural features from an adjacency matrix and estimate overlapped neighborhoods for link prediction. Our Neo-GNNs generalize neighborhood overlap-based heuristic methods and handle overlapped multi-hop neighborhoods. Our extensive experiments on Open Graph Benchmark datasets (OGB) demonstrate that Neo-GNNs consistently achieve state-of-the-art performance in link prediction. Our code is publicly available at https://github.com/seongjunyun/Neo_GNNs.

Graph Neural Networks (GNNs) often suffer from weak-generalization due to sparsely labeled data despite their promising results on various graph-based tasks. Data augmentation is a prevalent remedy to improve the generalization ability of models in many domains. However, due to the non-Euclidean nature of data space and the dependencies between samples, designing effective augmentation on graphs is challenging. In this paper, we propose a novel framework Metropolis-Hastings Data Augmentation (MH-Aug) that draws augmented graphs from an explicit target distribution for semi-supervised learning. MH-Aug produces a sequence of augmented graphs from the target distribution enables flexible control of the strength and diversity of augmentation. Since the direct sampling from the complex target distribution is challenging, we adopt the Metropolis-Hastings algorithm to obtain the augmented samples. We also propose a simple and effective semi-supervised learning strategy with generated samples from MH-Aug. Our extensive experiments demonstrate that MH-Aug can generate a sequence of samples according to the target distribution to significantly improve the performance of GNNs., Comment: 10 pages, 5 figures

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is performed in a small local neighborhood on the input graph, it is inherently incapable to capture long-range dependencies between distance nodes. In addition, when a node has neighbors that belong to different classes, i.e., heterophily, the aggregated messages from them often negatively affect representation learning. To address the two common problems of graph convolution, in this paper, we propose Deformable Graph Convolutional Networks (Deformable GCNs) that adaptively perform convolution in multiple latent spaces and capture short/long-range dependencies between nodes. Separated from node representations (features), our framework simultaneously learns the node positional embeddings (coordinates) to determine the relations between nodes in an end-to-end fashion. Depending on node position, the convolution kernels are deformed by deformation vectors and apply different transformations to its neighbor nodes. Our extensive experiments demonstrate that Deformable GCNs flexibly handles the heterophily and achieve the best performance in node classification tasks on six heterophilic graph datasets., Comment: To be appear at AAAI2022

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. To address this limitations, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which preclude noisy connections and include useful connections (e.g., meta-paths) for tasks, while learning effective node representations on the new graphs in an end-to-end fashion. We further propose enhanced version of GTNs, Fast Graph Transformer Networks (FastGTNs), that improve scalability of graph transformations. Compared to GTNs, FastGTNs are 230x faster and use 100x less memory while allowing the identical graph transformations as GTNs. In addition, we extend graph transformations to the semantic proximity of nodes allowing non-local operations beyond meta-paths. Extensive experiments on both homogeneous graphs and heterogeneous graphs show that GTNs and FastGTNs with non-local operations achieve the state-of-the-art performance for node classification tasks. The code is available: https://github.com/seongjunyun/Graph_Transformer_Networks, Comment: arXiv admin note: text overlap with arXiv:1911.06455

In recent years, graph neural networks (GNNs) have been widely adopted in the representation learning of graph-structured data and provided state-of-the-art performance in various applications such as link prediction, node classification, and recommendation. Motivated by recent advances of self-supervision for representation learning in natural language processing and computer vision, self-supervised learning has been recently studied to leverage unlabeled graph-structured data. However, employing self-supervision tasks as auxiliary tasks to assist a primary task has been less explored in the literature on graphs. In this paper, we propose a novel self-supervised auxiliary learning framework to effectively learn graph neural networks. Moreover, this work is the first study showing that a meta-path prediction is beneficial as a self-supervised auxiliary task for heterogeneous graphs. Our method is learning to learn a primary task with various auxiliary tasks to improve generalization performance. The proposed method identifies an effective combination of auxiliary tasks and automatically balances them to improve the primary task. Our methods can be applied to any graph neural network in a plug-in manner without manual labeling or additional data. Also, it can be extended to any other auxiliary tasks. Our experiments demonstrate that the proposed method consistently improves the performance of node classification and link prediction., Comment: Submitted to TPAMI, 14pages. arXiv admin note: substantial text overlap with arXiv:2007.08294

Graph neural networks have shown superior performance in a wide range of applications providing a powerful representation of graph-structured data. Recent works show that the representation can be further improved by auxiliary tasks. However, the auxiliary tasks for heterogeneous graphs, which contain rich semantic information with various types of nodes and edges, have less explored in the literature. In this paper, to learn graph neural networks on heterogeneous graphs we propose a novel self-supervised auxiliary learning method using meta-paths, which are composite relations of multiple edge types. Our proposed method is learning to learn a primary task by predicting meta-paths as auxiliary tasks. This can be viewed as a type of meta-learning. The proposed method can identify an effective combination of auxiliary tasks and automatically balance them to improve the primary task. Our methods can be applied to any graph neural networks in a plug-in manner without manual labeling or additional data. The experiments demonstrate that the proposed method consistently improves the performance of link prediction and node classification on heterogeneous graphs., Comment: Neural Information Processing Systems (NeurIPS), 2020

Disentangling content and style information of an image has played an important role in recent success in image translation. In this setting, how to inject given style into an input image containing its own content is an important issue, but existing methods followed relatively simple approaches, leaving room for improvement especially when incorporating significant style changes. In response, we propose an advanced normalization technique based on adaptive convolution (AdaCoN), in order to properly impose style information into the content of an input image. In detail, after locally standardizing the content representation in a channel-wise manner, AdaCoN performs adaptive convolution where the convolution filter weights are dynamically estimated using the encoded style representation. The flexibility of AdaCoN can handle complicated image translation tasks involving significant style changes. Our qualitative and quantitative experiments demonstrate the superiority of our proposed method against various existing approaches that inject the style into the content.

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn node representations on the fixed and homogeneous graphs. The limitations especially become problematic when learning representations on a misspecified graph or a heterogeneous graph that consists of various types of nodes and edges. In this paper, we propose Graph Transformer Networks (GTNs) that are capable of generating new graph structures, which involve identifying useful connections between unconnected nodes on the original graph, while learning effective node representation on the new graphs in an end-to-end fashion. Graph Transformer layer, a core layer of GTNs, learns a soft selection of edge types and composite relations for generating useful multi-hop connections so-called meta-paths. Our experiments show that GTNs learn new graph structures, based on data and tasks without domain knowledge, and yield powerful node representation via convolution on the new graphs. Without domain-specific graph preprocessing, GTNs achieved the best performance in all three benchmark node classification tasks against the state-of-the-art methods that require pre-defined meta-paths from domain knowledge., Comment: Neural Information Processing Systems (NeurIPS), 2019

There has recently been a concerted effort to derive mechanisms in vision and machine learning systems to offer uncertainty estimates of the predictions they make. Clearly, there are enormous benefits to a system that is not only accurate but also has a sense for when it is not sure. Existing proposals center around Bayesian interpretations of modern deep architectures -- these are effective but can often be computationally demanding. We show how classical ideas in the literature on exponential families on probabilistic networks provide an excellent starting point to derive uncertainty estimates in Gated Recurrent Units (GRU). Our proposal directly quantifies uncertainty deterministically, without the need for costly sampling-based estimation. We demonstrate how our model can be used to quantitatively and qualitatively measure uncertainty in unsupervised image sequence prediction. To our knowledge, this is the first result describing sampling-free uncertainty estimation for powerful sequential models such as GRUs., Comment: Version 2