Revisiting Random Walks for Learning on Graphs

We revisit a simple idea for machine learning on graphs, where a random walk on a graph produces a machine-readable record, and this record is processed by a deep neural network to directly make vertex-level or graph-level predictions. We refer to these stochastic machines as random walk neural networks, and show that we can design them to be isomorphism invariant while capable of universal approximation of graph functions in probability. A useful finding is that almost any kind of record of random walk guarantees probabilistic invariance as long as the vertices are anonymized. This enables us to record random walks in plain text and adopt a language model to read these text records to solve graph tasks. We further establish a parallelism to message passing neural networks using tools from Markov chain theory, and show that over-smoothing in message passing is alleviated by construction in random walk neural networks, while over-squashing manifests as probabilistic under-reaching. We show that random walk neural networks based on pre-trained language models can solve several hard problems on graphs, such as separating strongly regular graphs where the 3-WL test fails, counting substructures, and transductive classification on arXiv citation network without training. Code is available at https://github.com/jw9730/random-walk.

Attentive Illumination Decomposition Model for Multi-Illuminant White Balancing

White balance (WB) algorithms in many commercial cameras assume single and uniform illumination, leading to undesirable results when multiple lighting sources with different chromaticities exist in the scene. Prior research on multi-illuminant WB typically predicts illumination at the pixel level without fully grasping the scene's actual lighting conditions, including the number and color of light sources. This often results in unnatural outcomes lacking in overall consistency. To handle this problem, we present a deep white balancing model that leverages the slot attention, where each slot is in charge of representing individual illuminants. This design enables the model to generate chromaticities and weight maps for individual illuminants, which are then fused to compose the final illumination map. Furthermore, we propose the centroid-matching loss, which regulates the activation of each slot based on the color range, thereby enhancing the model to separate illumination more effectively. Our method achieves the state-of-the-art performance on both single- and multi-illuminant WB benchmarks, and also offers additional information such as the number of illuminants in the scene and their chromaticity. This capability allows for illumination editing, an application not feasible with prior methods.

OkayPlan: Obstacle Kinematics Augmented Dynamic Real-time Path Planning via Particle Swarm Optimization

Existing Global Path Planning (GPP) algorithms predominantly presume planning in a static environment. This assumption immensely limits their applications to Unmanned Surface Vehicles (USVs) that typically navigate in dynamic environments. To address this limitation, we present OkayPlan, a GPP algorithm capable of generating safe and short paths in dynamic scenarios at a real-time executing speed (125 Hz on a desktop-class computer). Specifically, we approach the challenge of dynamic obstacle avoidance by formulating the path planning problem as an obstacle kinematics augmented optimization problem, which can be efficiently resolved through a PSO-based optimizer at a real-time speed. Meanwhile, a Dynamic Prioritized Initialization (DPI) mechanism that adaptively initializes potential solutions for the optimization problem is established to further ameliorate the solution quality. Additionally, a relaxation strategy that facilitates the autonomous tuning of OkayPlan's hyperparameters in dynamic environments is devised. Comparative experiments involving canonical and contemporary GPP algorithms, along with ablation studies, have been conducted to substantiate the efficacy of our approach. Results indicate that OkayPlan outstrips existing methods in terms of path safety, length optimality, and computational efficiency, establishing it as a potent GPP technique for dynamic environments. The video and code associated with this paper are accessible at https://github.com/XinJingHao/OkayPlan.

Learning Symmetrization for Equivariance with Orbit Distance Minimization

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

Towards Interpretable Controllability in Object-Centric Learning

The binding problem in artificial neural networks is actively explored with the goal of achieving human-level recognition skills through the comprehension of the world in terms of symbol-like entities. Especially in the field of computer vision, object-centric learning (OCL) is extensively researched to better understand complex scenes by acquiring object representations or slots. While recent studies in OCL have made strides with complex images or videos, the interpretability and interactivity over object representation remain largely uncharted, still holding promise in the field of OCL. In this paper, we introduce a novel method, Slot Attention with Image Augmentation (SlotAug), to explore the possibility of learning interpretable controllability over slots in a self-supervised manner by utilizing an image augmentation strategy. We also devise the concept of sustainability in controllable slots by introducing iterative and reversible controls over slots with two proposed submethods: Auxiliary Identity Manipulation and Slot Consistency Loss. Extensive empirical studies and theoretical validation confirm the effectiveness of our approach, offering a novel capability for interpretable and sustainable control of object representations. Code will be available soon.

3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation

Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, which led to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In light of this limitation, we propose D&D, a self-supervised molecular representation learning framework that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to accurate conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against other baselines.

Learning Probabilistic Symmetrization for Architecture Agnostic Equivariance

We present a novel framework to overcome the limitations of equivariant architectures in learning functions with group symmetries. In contrary to equivariant architectures, we use an arbitrary base model (such as an MLP or a transformer) and symmetrize it to be equivariant to the given group by employing a small equivariant network that parameterizes the probabilistic distribution underlying the symmetrization. The distribution is end-to-end trained with the base model which can maximize performance while reducing sample complexity of symmetrization. We show that this approach ensures not only equivariance to given group but also universal approximation capability in expectation. We implement our method on a simple patch-based transformer that can be initialized from pretrained vision transformers, and test it for a wide range of symmetry groups including permutation and Euclidean groups and their combinations. Empirical tests show competitive results against tailored equivariant architectures, suggesting the potential for learning equivariant functions for diverse groups using a non-equivariant universal base architecture. We further show evidence of enhanced learning in symmetric modalities, like graphs, when pretrained from non-symmetric modalities, like vision. Our implementation will be open-sourced at https://github.com/jw9730/lps.

Train a Real-world Local Path Planner in One Hour via Partially Decoupled Reinforcement Learning and Vectorized Diversity

Deep Reinforcement Learning (DRL) has exhibited efficacy in resolving the Local Path Planning (LPP) problem. However, such application in the real world is immensely limited due to the deficient efficiency and generalization capability of DRL. To alleviate these two issues, a solution named Color is proposed, which consists of an Actor-Sharer-Learner (ASL) training framework and a mobile robot-oriented simulator Sparrow. Specifically, the ASL framework, intending to improve the efficiency of the DRL algorithm, employs a Vectorized Data Collection (VDC) mode to expedite data acquisition, decouples the data collection from model optimization by multithreading, and partially connects the two procedures by harnessing a Time Feedback Mechanism (TFM) to evade data underuse or overuse. Meanwhile, the Sparrow simulator utilizes a 2D grid-based world, simplified kinematics, and conversion-free data flow to achieve a lightweight design. The lightness facilitates vectorized diversity, allowing diversified simulation setups across extensive copies of the vectorized environments, resulting in a notable enhancement in the generalization capability of the DRL algorithm being trained. Comprehensive experiments, comprising 57 benchmark video games, 32 simulated and 36 real-world LPP scenarios, have been conducted to corroborate the superiority of our method in terms of efficiency and generalization. The code and the video of the experiments can be accessed on our website.

Shepherding Slots to Objects: Towards Stable and Robust Object-Centric Learning

Object-centric learning (OCL) aspires general and compositional understanding of scenes by representing a scene as a collection of object-centric representations. OCL has also been extended to multi-view image and video datasets to apply various data-driven inductive biases by utilizing geometric or temporal information in the multi-image data. Single-view images carry less information about how to disentangle a given scene than videos or multi-view images do. Hence, owing to the difficulty of applying inductive biases, OCL for single-view images remains challenging, resulting in inconsistent learning of object-centric representation. To this end, we introduce a novel OCL framework for single-view images, SLot Attention via SHepherding (SLASH), which consists of two simple-yet-effective modules on top of Slot Attention. The new modules, Attention Refining Kernel (ARK) and Intermediate Point Predictor and Encoder (IPPE), respectively, prevent slots from being distracted by the background noise and indicate locations for slots to focus on to facilitate learning of object-centric representation. We also propose a weak semi-supervision approach for OCL, whilst our proposed framework can be used without any assistant annotation during the inference. Experiments show that our proposed method enables consistent learning of object-centric representation and achieves strong performance across four datasets. Code is available at \url{https://github.com/object-understanding/SLASH}.

Universal Few-shot Learning of Dense Prediction Tasks with Visual Token Matching

Dense prediction tasks are a fundamental class of problems in computer vision. As supervised methods suffer from high pixel-wise labeling cost, a few-shot learning solution that can learn any dense task from a few labeled images is desired. Yet, current few-shot learning methods target a restricted set of tasks such as semantic segmentation, presumably due to challenges in designing a general and unified model that is able to flexibly and efficiently adapt to arbitrary tasks of unseen semantics. We propose Visual Token Matching (VTM), a universal few-shot learner for arbitrary dense prediction tasks. It employs non-parametric matching on patch-level embedded tokens of images and labels that encapsulates all tasks. Also, VTM flexibly adapts to any task with a tiny amount of task-specific parameters that modulate the matching algorithm. We implement VTM as a powerful hierarchical encoder-decoder architecture involving ViT backbones where token matching is performed at multiple feature hierarchies. We experiment VTM on a challenging variant of Taskonomy dataset and observe that it robustly few-shot learns various unseen dense prediction tasks. Surprisingly, it is competitive with fully supervised baselines using only 10 labeled examples of novel tasks (0.004% of full supervision) and sometimes outperforms using 0.1% of full supervision. Codes are available at https://github.com/GitGyun/visual_token_matching.