RelBench provides databases and tasks spanning diverse domains, scales, and database dimensions, and is intended to be a foundational infrastructure for future research in this direction. We use RelBench to conduct the first comprehensive empirical study of graph neural network (GNN) based predictive models on relational data, as recently proposed by Fey et al. 2024. End-to-end learned GNNs are capable fully exploiting the predictive signal encoded in links between entities, marking a significant shift away from the dominant paradigm of manual feature engineering combined with tabular machine learning. To thoroughly evaluate GNNs against the prior gold-standard we conduct a user study, where an experienced data scientist manually engineers features for each task. In this study, GNNs learn better models whilst reducing human work needed by more than an order of magnitude. This result demonstrates the power of GNNs for solving predictive tasks in relational databases, opening up new research opportunities.

Out-of-distribution (OOD) detection aims to identify OOD inputs from unknown classes, which is important for the reliable deployment of machine learning models in the open world. Various scoring functions are proposed to distinguish it from in-distribution (ID) data. However, existing methods generally focus on excavating the discriminative information from a single input, which implicitly limits its representation dimension. In this work, we introduce a novel perspective, i.e., employing different common corruptions on the input space, to expand that. We reveal an interesting phenomenon termed, where the confidence of OOD data can decrease significantly under the corruptions, while the ID data shows a higher confidence expectation considering the resistance of semantic features. Based on that, we formalize a new scoring method, namely, (CoVer), which can capture the dynamic differences by simply averaging the scores obtained from different corrupted inputs and the original ones, making the OOD and ID distributions more separable in detection tasks. Extensive experiments and analyses have been conducted to understand and verify the effectiveness of CoVer.

Recent advances in computationally efficient non-myopic Bayesian optimization offer improved query efficiency over traditional myopic methods like expected improvement, with only a modest increase in computational cost. These advances have been largely limited to unconstrained BO methods with only a few exceptions which require heavy computation. For instance, one existing multi-step lookahead constrained BO method (Lam & Willcox, 2017) relies on computationally expensive unreliable brute force derivative-free optimization of a Monte Carlo rollout acquisition function. Methods that use the reparameterization trick for more efficient derivative-based optimization of non-myopic acquisition functions in the unconstrained setting, like sample average approximation and infinitesimal perturbation analysis, do not extend: constraints introduce discontinuities in the sampled acquisition function surface. Moreover, we argue here that being non-myopic is even more important in constrained problems because fear of violating constraints pushes myopic methods away from sampling the boundary between feasible and infeasible regions, slowing the discovery of optimal solutions with tight constraints. In this paper, we propose a computationally efficient two-step lookahead constrained Bayesian optimization acquisition function (2-OPT-C) supporting both sequential and batch settings. To enable fast acquisition function optimization, we develop a novel likelihood ratio-based unbiased estimator of the gradient of the two-step optimal acquisition function that does not use the reparameterization trick. In numerical experiments, 2-OPT-C typically improves query efficiency by 2x or more over previous methods, and in some cases by 10x or more.

While the field of 3D scene reconstruction is dominated by NeRFs due to their photorealistic quality, 3D Gaussian Splatting (3DGS) has recently emerged, offering similar quality with real-time rendering speeds. However, both methods primarily excel with well-controlled 3D scenes, while in-the-wild data - characterized by occlusions, dynamic objects, and varying illumination - remains challenging. NeRFs can adapt to such conditions easily through per-image embedding vectors, but 3DGS struggles due to its explicit representation and lack of shared parameters. To address this, we introduce WildGaussians, a novel approach to handle occlusions and appearance changes with 3DGS. By leveraging robust DINO features and integrating an appearance modeling module within 3DGS, our method achieves state-of-the-art results. We demonstrate that WildGaussians matches the real-time rendering speed of 3DGS while surpassing both 3DGS and NeRF baselines in handling in-the-wild data, all within a simple architectural framework.

'Phase-free' design builds disaster preparedness into everyday life Tadayuki Sato, representative director of the Phase Free Association, has introduced the phase-free concept in a bid to seamlessly integrate disaster preparedness with everyday life and business operations. A ball-point pen that can write on a wet piece of paper is an example of everyday goods that fit the phase-free concept. Fifteen years after the devastating March 2011 earthquake and tsunami, Japan is seeing growing momentum behind phase-free design, a new approach to disaster preparedness that integrates emergency functionality into everyday items. As major quakes have continued to strike various parts of Japan, Tadayuki Sato, representative director of the Phase Free Association, recognized the limitations of traditional disaster preparedness. Conventional approaches, led primarily by government bodies and focused on stockpiling specialized emergency supplies, were falling short. Around 2014, he introduced the phase-free concept in a bid to seamlessly integrate disaster preparedness with everyday life and business operations.

Neuro-symbolic neural networks have been extensively studied to integrate symbolic operations with neural networks, thereby improving systematic generalization. Specifically, Tensor Product Representation (TPR) framework enables neural networks to perform differentiable symbolic operations by encoding the symbolic structure of data within vector spaces. However, TPR-based neural networks often struggle to decompose unseen data into structured TPR representations, undermining their symbolic operations. To address this decomposition problem, we propose a Discrete Dictionary-based Decomposition (D3) layer designed to enhance the decomposition capabilities of TPR-based models. D3 employs discrete, learnable key-value dictionaries trained to capture symbolic features essential for decomposition operations. It leverages the prior knowledge acquired during training to generate structured TPR representations by mapping input data to pre-learned symbolic features within these dictionaries. D3 is a straightforward drop-in layer that can be seamlessly integrated into any TPR-based model without modifications. Our experimental results demonstrate that D3 significantly improves the systematic generalization of various TPR-based models while requiring fewer additional parameters. Notably, D3 outperforms baseline models on the synthetic task that demands the systematic decomposition of unseen combinatorial data.

Diffusion models have been widely utilized for image restoration. However, previous blind image restoration methods still need to assume the type of degradation model while leaving the parameters to be optimized, limiting their real-world applications. Therefore, we aim to tame generative diffusion prior for universal blind image restoration dubbed BIR-D, which utilizes an optimizable convolutional kernel to simulate the degradation model and dynamically update the parameters of the kernel in the diffusion steps, enabling it to achieve blind image restoration results even in various complex situations. Besides, based on mathematical reasoning, we have provided an empirical formula for the chosen of adaptive guidance scale, eliminating the need for a grid search for the optimal parameter. Experimentally, Our BIR-D has demonstrated superior practicality and versatility than off-the-shelf unsupervised methods across various tasks both on real-world and synthetic datasets, qualitatively and quantitatively. BIR-D is able to fulfill multi-guidance blind image restoration. Moreover, BIR-D can also restore images that undergo multiple and complicated degradations, demonstrating the practical applications. The code is available at https://github.com/Tusiwei/BIR-D.

As the volume of data invested in statistical learning increases and concerns regarding privacy grow, the privacy leakage issue has drawn significant attention. Differential privacy has emerged as a widely accepted concept capable of mitigating privacy concerns, and numerous differentially private (DP) versions of machine learning algorithms have been developed. However, existing works on DP kernel learning algorithms have exhibited practical limitations, including scalability, restricted choice of kernels, or dependence on test data availability. We propose DP scalable kernel empirical risk minimization (ERM) algorithms and a DP kernel mean embedding (KME) release algorithm suitable for general kernels. Our approaches address the shortcomings of previous algorithms by employing Nyström methods, classical techniques in non-private scalable kernel learning. These methods provide data-dependent low-rank approximations of the kernel matrix for general kernels in a DP manner. We present excess empirical risk bounds and computational complexities for the scalable kernel DP ERM, KME algorithms, contrasting them with established methodologies. Furthermore, we develop a private data-generating algorithm capable of learning diverse kernel models. We conduct experiments to demonstrate the performance of our algorithms, comparing them with existing methods to highlight their superiority.

High-dimensional Bayesian optimization (BO) tasks such as molecular design often require $> 10,$$000$ function evaluations before obtaining meaningful results. While methods like sparse variational Gaussian processes (SVGPs) reduce computational requirements in these settings, the underlying approximations result in suboptimal data acquisitions that slow the progress of optimization. In this paper we modify SVGPs to better align with the goals of BO: targeting informed data acquisition over global posterior fidelity. Using the framework of utility-calibrated variational inference (Lacoste-Julien et al., 2011), we unify GP approximation and data acquisition into a joint optimization problem, thereby ensuring optimal decisions under a limited computational budget. Our approach can be used with any decision-theoretic acquisition function and is readily compatible with trust region methods like TuRBO (Eriksson et al., 2019). We derive efficient joint objectives for the expected improvement (EI) and knowledge gradient (KG) acquisition functions in both the standard and batch BO settings. On a variety of recent high dimensional benchmark tasks in control and molecular design, our approach significantly outperforms standard SVGPs and is capable of achieving comparable rewards with up to $10\times$ fewer function evaluations.

We investigate the radioactivity of text generated by large language models (LLM), \ie whether it is possible to detect that such synthetic input was used to train a subsequent LLM.Current methods like membership inference or active IP protection either work only in settings where the suspected text is known or do not provide reliable statistical guarantees.We discover that, on the contrary, it is possible to reliably determine if a language model was trained on synthetic data if that data is output by a watermarked LLM.Our new methods, specialized for radioactivity, detects with a provable confidence weak residuals of the watermark signal in the fine-tuned LLM.We link the radioactivity contamination level to the following properties: the watermark robustness, its proportion in the training set, and the fine-tuning process.For instance, if the suspect model is open-weight, we demonstrate that training on watermarked instructions can be detected with high confidence ($p$-value $ < 10^{-5}$) even when as little as $5\%$ of training text is watermarked.