Likelihood-based deep generative models such as score-based diffusion models and variational autoencoders are state-of-the-art machine learning models approximating high-dimensional distributions of data such as images, text, or audio. One of many downstream tasks they can be naturally applied to is out-of-distribution (OOD) detection. However, seminal work by Nalisnick et al. which we reproduce showed that deep generative models consistently infer higher log-likelihoods for OOD data than data they were trained on, marking an open problem. In this work, we analyse using the gradient of a data point with respect to the parameters of the deep generative model for OOD detection, based on the simple intuition that OOD data should have larger gradient norms than training data. We formalise measuring the size of the gradient as approximating the Fisher information metric. We show that the Fisher information matrix (FIM) has large absolute diagonal values, motivating the use of chi-square distributed, layer-wise gradient norms as features. We combine these features to make a simple, model-agnostic and hyperparameter-free method for OOD detection which estimates the joint density of the layer-wise gradient norms for a given data point. We find that these layer-wise gradient norms are weakly correlated, rendering their combined usage informative, and prove that the layer-wise gradient norms satisfy the principle of (data representation) invariance. Our empirical results indicate that this method outperforms the Typicality test for most deep generative models and image dataset pairings.
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Automatically generating data visualizations in response to human utterances on datasets necessitates a deep semantic understanding of the data utterance, including implicit and explicit references to data attributes, visualization tasks, and necessary data preparation steps. Natural Language Interfaces (NLIs) for data visualization have explored ways to infer such information, yet challenges persist due to inherent uncertainty in human speech. Recent advances in Large Language Models (LLMs) provide an avenue to address these challenges, but their ability to extract the relevant semantic information remains unexplored. In this study, we evaluate four publicly available LLMs (GPT-4, Gemini-Pro, Llama3, and Mixtral), investigating their ability to comprehend utterances even in the presence of uncertainty and identify the relevant data context and visual tasks. Our findings reveal that LLMs are sensitive to uncertainties in utterances. Despite this sensitivity, they are able to extract the relevant data context. However, LLMs struggle with inferring visualization tasks. Based on these results, we highlight future research directions on using LLMs for visualization generation.
Classification of different object surface material types can play a significant role in the decision-making algorithms for mobile robots and autonomous vehicles. RGB-based scene-level semantic segmentation has been well-addressed in the literature. However, improving material recognition using the depth modality and its integration with SLAM algorithms for 3D semantic mapping could unlock new potential benefits in the robotics perception pipeline. To this end, we propose a complementarity-aware deep learning approach for RGB-D-based material classification built on top of an object-oriented pipeline. The approach further integrates the ORB-SLAM2 method for 3D scene mapping with multiscale clustering of the detected material semantics in the point cloud map generated by the visual SLAM algorithm. Extensive experimental results with existing public datasets and newly contributed real-world robot datasets demonstrate a significant improvement in material classification and 3D clustering accuracy compared to state-of-the-art approaches for 3D semantic scene mapping.
We investigate the limiting behavior of the Navier-Stokes-Cahn-Hilliard model for binary-fluid flows as the diffuse-interface thickness passes to zero, in the presence of fluid-fluid-solid contact lines. Allowing for motion of such contact lines relative to the solid substrate is required to adequately model multi-phase and multi-species fluid transport past and through solid media. Even though diffuse-interface models provide an inherent slip mechanism through the mobility-induced diffusion, this slip vanishes as the interface thickness and mobility parameter tend to zero in the so-called sharp-interface limit. The objective of this work is to present dynamic wetting and generalized Navier boundary conditions for diffuse-interface models that are consistent in the sharp-interface limit. We concentrate our analysis on the prototypical binary-fluid Couette-flow problems. To verify the consistency of the diffuse-interface model in the limit of vanishing interface thickness, we provide reference limit solutions of a corresponding sharp-interface model. For parameter values both at and away from the critical viscosity ratio, we present and compare the results of both the diffuse- and sharp-interface models. The close match between both model results indicates that the considered test case lends itself well as a benchmark for further research.
Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features in point clouds. These models are characterized by their simplicity, good experimental results and computational efficiency. However, their theoretical expressive power still remains unclear, restricting a deeper understanding of the potential of such models. In this work, we concentrate on characterizing the theoretical expressiveness of a wide range of invariant models. We first rigorously bound the expressiveness of the most classic invariant model, message-passing neural networks incorporating distance (DisGNN), restricting its unidentifiable cases to be only highly symmetric point clouds. We then show that GeoNGNN, the geometric counterpart of one of the simplest subgraph graph neural networks (subgraph GNNs), can effectively break these corner cases' symmetry and thus achieve E(3)-completeness. By leveraging GeoNGNN as a theoretical tool, we further prove that: 1) most subgraph GNNs developed in traditional graph learning can be seamlessly extended to geometric scenarios with E(3)-completeness; 2) DimeNet, GemNet and SphereNet, three well-established invariant models, are also all capable of achieving E(3)-completeness. Our theoretical results fill the gap in the theoretical power of invariant models, contributing to a rigorous and comprehensive understanding of their capabilities. We also empirically evaluated GeoNGNN, the simplest model within the large E(3)-complete family we established, which achieves competitive results to models relying on high-order invariant/equivariant representations on molecule-relevant tasks.
Tripartite graph-based recommender systems markedly diverge from traditional models by recommending unique combinations such as user groups and item bundles. Despite their effectiveness, these systems exacerbate the longstanding cold-start problem in traditional recommender systems, because any number of user groups or item bundles can be formed among users or items. To address this issue, we introduce a Consistency and Discrepancy-based graph contrastive learning method for tripartite graph-based Recommendation. This approach leverages two novel meta-path-based metrics consistency and discrepancy to capture nuanced, implicit associations between the recommended objects and the recommendees. These metrics, indicative of high-order similarities, can be efficiently calculated with infinite graph convolutional networks layers under a multi-objective optimization framework, using the limit theory of GCN.
In unsupervised anomaly detection (UAD) research, while state-of-the-art models have reached a saturation point with extensive studies on public benchmark datasets, they adopt large-scale tailor-made neural networks (NN) for detection performance or pursued unified models for various tasks. Towards edge computing, it is necessary to develop a computationally efficient and scalable solution that avoids large-scale complex NNs. Motivated by this, we aim to optimize the UAD performance with minimal changes to NN settings. Thus, we revisit the reconstruction-by-inpainting approach and rethink to improve it by analyzing strengths and weaknesses. The strength of the SOTA methods is a single deterministic masking approach that addresses the challenges of random multiple masking that is inference latency and output inconsistency. Nevertheless, the issue of failure to provide a mask to completely cover anomalous regions is a remaining weakness. To mitigate this issue, we propose Feature Attenuation of Defective Representation (FADeR) that only employs two MLP layers which attenuates feature information of anomaly reconstruction during decoding. By leveraging FADeR, features of unseen anomaly patterns are reconstructed into seen normal patterns, reducing false alarms. Experimental results demonstrate that FADeR achieves enhanced performance compared to similar-scale NNs. Furthermore, our approach exhibits scalability in performance enhancement when integrated with other single deterministic masking methods in a plug-and-play manner.
Evaluating the generalisation capabilities of multimodal models based solely on their performance on out-of-distribution data fails to capture their true robustness. This work introduces a comprehensive evaluation framework that systematically examines the role of instructions and inputs in the generalisation abilities of such models, considering architectural design, input perturbations across language and vision modalities, and increased task complexity. The proposed framework uncovers the resilience of multimodal models to extreme instruction perturbations and their vulnerability to observational changes, raising concerns about overfitting to spurious correlations. By employing this evaluation framework on current Transformer-based multimodal models for robotic manipulation tasks, we uncover limitations and suggest future advancements should focus on architectural and training innovations that better integrate multimodal inputs, enhancing a model's generalisation prowess by prioritising sensitivity to input content over incidental correlations.
Discretizing speech into tokens and generating them by a decoder-only model have been a promising direction for text-to-speech (TTS) and spoken language modeling (SLM). To shorten the sequence length of speech tokens, acoustic byte-pair encoding (BPE) has emerged in SLM that treats speech tokens from self-supervised semantic representations as characters to further compress the token sequence. But the gain in TTS has not been fully investigated, and the proper choice of acoustic BPE remains unclear. In this work, we conduct a comprehensive study on various settings of acoustic BPE to explore its effectiveness in decoder-only TTS models with semantic speech tokens. Experiments on LibriTTS verify that acoustic BPE uniformly increases the intelligibility and diversity of synthesized speech, while showing different features across BPE settings. Hence, acoustic BPE is a favorable tool for decoder-only TTS.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.
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