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Conservation laws are well-established in the context of Euclidean gradient flow dynamics, notably for linear or ReLU neural network training. Yet, their existence and principles for non-Euclidean geometries and momentum-based dynamics remain largely unknown. In this paper, we characterize "all" conservation laws in this general setting. In stark contrast to the case of gradient flows, we prove that the conservation laws for momentum-based dynamics exhibit temporal dependence. Additionally, we often observe a "conservation loss" when transitioning from gradient flow to momentum dynamics. Specifically, for linear networks, our framework allows us to identify all momentum conservation laws, which are less numerous than in the gradient flow case except in sufficiently over-parameterized regimes. With ReLU networks, no conservation law remains. This phenomenon also manifests in non-Euclidean metrics, used e.g. for Nonnegative Matrix Factorization (NMF): all conservation laws can be determined in the gradient flow context, yet none persists in the momentum case.

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動量方法 (Polyak, 1964) 旨在加速學習,特別是處理高曲率、小但一致的梯度,或是帶噪聲的梯度。 動量算法積累了之前梯度指數級衰減的移動平均,并且繼續沿該方向移動。

Neurosymbolic background knowledge and the expressivity required of its logic can break Machine Learning assumptions about data Independence and Identical Distribution. In this position paper we propose to analyze IID relaxation in a hierarchy of logics that fit different use case requirements. We discuss the benefits of exploiting known data dependencies and distribution constraints for Neurosymbolic use cases and argue that the expressivity required for this knowledge has implications for the design of underlying ML routines. This opens a new research agenda with general questions about Neurosymbolic background knowledge and the expressivity required of its logic.

The sample efficiency of Bayesian optimization algorithms depends on carefully crafted acquisition functions (AFs) guiding the sequential collection of function evaluations. The best-performing AF can vary significantly across optimization problems, often requiring ad-hoc and problem-specific choices. This work tackles the challenge of designing novel AFs that perform well across a variety of experimental settings. Based on FunSearch, a recent work using Large Language Models (LLMs) for discovery in mathematical sciences, we propose FunBO, an LLM-based method that can be used to learn new AFs written in computer code by leveraging access to a limited number of evaluations for a set of objective functions. We provide the analytic expression of all discovered AFs and evaluate them on various global optimization benchmarks and hyperparameter optimization tasks. We show how FunBO identifies AFs that generalize well in and out of the training distribution of functions, thus outperforming established general-purpose AFs and achieving competitive performance against AFs that are customized to specific function types and are learned via transfer-learning algorithms.

Capability ontologies are increasingly used to model functionalities of systems or machines. The creation of such ontological models with all properties and constraints of capabilities is very complex and can only be done by ontology experts. However, Large Language Models (LLMs) have shown that they can generate machine-interpretable models from natural language text input and thus support engineers / ontology experts. Therefore, this paper investigates how LLMs can be used to create capability ontologies. We present a study with a series of experiments in which capabilities with varying complexities are generated using different prompting techniques and with different LLMs. Errors in the generated ontologies are recorded and compared. To analyze the quality of the generated ontologies, a semi-automated approach based on RDF syntax checking, OWL reasoning, and SHACL constraints is used. The results of this study are very promising because even for complex capabilities, the generated ontologies are almost free of errors.

Similar to vision-and-language navigation (VLN) tasks that focus on bridging the gap between vision and language for embodied navigation, the new Rendezvous (RVS) task requires reasoning over allocentric spatial relationships (independent of the observer's viewpoint) using non-sequential navigation instructions and maps. However, performance substantially drops in new environments with no training data. Using opensource descriptions paired with coordinates (e.g., Wikipedia) provides training data but suffers from limited spatially-oriented text resulting in low geolocation resolution. We propose a large-scale augmentation method for generating high-quality synthetic data for new environments using readily available geospatial data. Our method constructs a grounded knowledge-graph, capturing entity relationships. Sampled entities and relations (`shop north of school') generate navigation instructions via (i) generating numerous templates using context-free grammar (CFG) to embed specific entities and relations; (ii) feeding the entities and relation into a large language model (LLM) for instruction generation. A comprehensive evaluation on RVS, showed that our approach improves the 100-meter accuracy by 45.83% on unseen environments. Furthermore, we demonstrate that models trained with CFG-based augmentation achieve superior performance compared with those trained with LLM-based augmentation, both in unseen and seen environments. These findings suggest that the potential advantages of explicitly structuring spatial information for text-based geospatial reasoning in previously unknown, can unlock data-scarce scenarios.

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

In multi-turn dialog, utterances do not always take the full form of sentences \cite{Carbonell1983DiscoursePA}, which naturally makes understanding the dialog context more difficult. However, it is essential to fully grasp the dialog context to generate a reasonable response. Hence, in this paper, we propose to improve the response generation performance by examining the model's ability to answer a reading comprehension question, where the question is focused on the omitted information in the dialog. Enlightened by the multi-task learning scheme, we propose a joint framework that unifies these two tasks, sharing the same encoder to extract the common and task-invariant features with different decoders to learn task-specific features. To better fusing information from the question and the dialog history in the encoding part, we propose to augment the Transformer architecture with a memory updater, which is designed to selectively store and update the history dialog information so as to support downstream tasks. For the experiment, we employ human annotators to write and examine a large-scale dialog reading comprehension dataset. Extensive experiments are conducted on this dataset, and the results show that the proposed model brings substantial improvements over several strong baselines on both tasks. In this way, we demonstrate that reasoning can indeed help better response generation and vice versa. We release our large-scale dataset for further research.

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.

Image segmentation is still an open problem especially when intensities of the interested objects are overlapped due to the presence of intensity inhomogeneity (also known as bias field). To segment images with intensity inhomogeneities, a bias correction embedded level set model is proposed where Inhomogeneities are Estimated by Orthogonal Primary Functions (IEOPF). In the proposed model, the smoothly varying bias is estimated by a linear combination of a given set of orthogonal primary functions. An inhomogeneous intensity clustering energy is then defined and membership functions of the clusters described by the level set function are introduced to rewrite the energy as a data term of the proposed model. Similar to popular level set methods, a regularization term and an arc length term are also included to regularize and smooth the level set function, respectively. The proposed model is then extended to multichannel and multiphase patterns to segment colourful images and images with multiple objects, respectively. It has been extensively tested on both synthetic and real images that are widely used in the literature and public BrainWeb and IBSR datasets. Experimental results and comparison with state-of-the-art methods demonstrate that advantages of the proposed model in terms of bias correction and segmentation accuracy.

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