Foreign key discovery and related schema-level prediction tasks are often modeled using graph neural networks (GNNs), implicitly assuming that relational inductive bias improves performance. However, it remains unclear when multi-hop structural reasoning is actually necessary. In this work, we introduce locality radius, a formal measure of the minimum structural neighborhood required to determine a prediction in relational schemas. We hypothesize that model performance depends critically on alignment between task locality radius and architectural aggregation depth. We conduct a controlled empirical study across foreign key prediction, join cost estimation, blast radius regression, cascade impact classification, and additional graph-derived schema tasks. Our evaluation includes multi-seed experiments, capacity-matched comparisons, statistical significance testing, scaling analysis, and synthetic radius-controlled benchmarks. Results reveal a consistent bias-radius alignment effect.
University of Bonn（波恩大学）；Fraunhofer Institute for Intelligent Analysis and Information Systems (IAIS)（弗劳恩霍夫智能分析与信息系统研究所（IAIS））；Ludwig-Maximilians-Universität München（慕尼黑路德维希-马克西米利安大学（慕尼黑大学））；McGill University（麦吉尔大学）；Mila（米拉研究所）；IBM Research（IBM研究院）；Siemens AG（西门子股份公司）
For many years, link prediction on knowledge graphs (KGs) has been a purely transductive task, not allowing for reasoning on unseen entities. Recently, increasing efforts are put into exploring semi- and fully inductive scenarios, enabling inference over unseen and emerging entities. Still, all these approaches only consider triple-based \glspl{kg}, whereas their richer counterparts, hyper-relational KGs (e.g., Wikidata), have not yet been properly studied. In this work, we classify different inductive settings and study the benefits of employing hyper-relational KGs on a wide range of semi- a…
Rules complement and extend ontologies on the Semantic Web. We refer to these rules as onto-relational since they combine DL-based ontology languages and Knowledge Representation formalisms supporting the relational data model within the tradition of Logic Programming and Deductive Databases. Rule authoring is a very demanding Knowledge Engineering task which can be automated though partially by applying Machine Learning algorithms. In this chapter we show how Inductive Logic Programming (ILP), born at the intersection of Machine Learning and Logic Programming and considered as a major approac…
Univ. Grenoble Alpes（格勒诺布尔阿尔卑斯大学）；NAVER LABS Europe（NAVER LABS 欧洲）；Bloomsbury AI（布卢姆斯伯里人工智能公司）；University College London（伦敦大学学院）
Latent factor models are increasingly popular for modeling multi-relational knowledge graphs. By their vectorial nature, it is not only hard to interpret why this class of models works so well, but also to understand where they fail and how they might be improved. We conduct an experimental survey of state-of-the-art models, not towards a purely comparative end, but as a means to get insight about their inductive abilities. To assess the strengths and weaknesses of each model, we create simple tasks that exhibit first, atomic properties of binary relations, and then, common inter-relational in…
Learning embeddings from large-scale networks is an open challenge. Despite the overwhelming number of existing methods, is is unclear how to exploit network structure in a way that generalizes easily to unseen nodes, edges or graphs. In this work, we look at the problem of finding inductive network embeddings in large networks without domain-dependent node/edge attributes. We propose to use a set of basic predefined local encodings as the basis of a learning algorithm. In particular, we consider the degree frequencies at different distances from a node, which can be computed efficiently for r…
Institute for Anthropomatics and Robotics, Karlsruhe Institute of Technology (KIT)（卡尔斯鲁厄理工学院（KIT）人类工程学与机器人研究所）；Stanford University（斯坦福大学）
Endowing robots with human-like physical reasoning abilities remains challenging. We argue that existing methods often disregard spatio-temporal relations and by using Graph Neural Networks (GNNs) that incorporate a relational inductive bias, we can shift the learning process towards exploiting relations. In this work, we learn action-conditional forward dynamics models of a simulated manipulation task from visual observations involving cluttered and irregularly shaped objects. We investigate two GNN approaches and empirically assess their capability to generalize to scenarios with novel and a…
Recent years have seen a surge of interest in Probabilistic Logic Programming (PLP) and Statistical Relational Learning (SRL) models that combine logic with probabilities. Structure learning of these systems is an intersection area of Inductive Logic Programming (ILP) and statistical learning (SL). However, ILP cannot deal with probabilities, SL cannot model relational hypothesis. The biggest challenge of integrating these two machine learning frameworks is how to estimate the probability of a logic clause only from the observation of grounded logic atoms. Many current methods models a joint p…
The application of graph neural networks (GNNs) to the domain of electrical power grids has high potential impact on smart grid monitoring. Even though there is a natural correspondence of power flow to message-passing in GNNs, their performance on power grids is not well-understood. We argue that there is a gap between GNN research driven by benchmarks which contain graphs that differ from power grids in several important aspects. Additionally, inductive learning of GNNs across multiple power grid topologies has not been explored with real-world data. We address this gap by means of (i) defin…
The Hong Kong Polytechnic University（香港理工大学）；University of Hong Kong（香港大学）；The Hong Kong Polytechnic University Shenzhen Research Institute（香港理工大学深圳研究院）；Research Institute for Sustainable Urban Development, The Hong Kong Polytechnic University（香港理工大学可持续城市发展研究院）
Accurate short-term traffic prediction plays a pivotal role in various smart mobility operation and management systems. Currently, most of the state-of-the-art prediction models are based on graph neural networks (GNNs), and the required training samples are proportional to the size of the traffic network. In many cities, the available amount of traffic data is substantially below the minimum requirement due to the data collection expense. It is still an open question to develop traffic prediction models with a small size of training data on large-scale networks. We notice that the traffic sta…
Basic binary relations such as equality and inequality are fundamental to relational data structures. Neural networks should learn such relations and generalise to new unseen data. We show in this study, however, that this generalisation fails with standard feed-forward networks on binary vectors. Even when trained with maximal training data, standard networks do not reliably detect equality.We introduce differential rectifier (DR) units that we add to the network in different configurations. The DR units create an inductive bias in the networks, so that they do learn to generalise, even from …
Sequential recommendation (SR) is to accurately recommend a list of items for a user based on her current accessed ones. While new-coming users continuously arrive in the real world, one crucial task is to have inductive SR that can produce embeddings of users and items without re-training. Given user-item interactions can be extremely sparse, another critical task is to have transferable SR that can transfer the knowledge derived from one domain with rich data to another domain. In this work, we aim to present the holistic SR that simultaneously accommodates conventional, inductive, and trans…
Mila（米拉研究所）；McGill University（麦吉尔大学）；Université de Montréal（蒙特利尔大学）；Stanford University（斯坦福大学）；HEC Montréal（蒙特利尔高等商学院）
Formulating and answering logical queries is a standard communication interface for knowledge graphs (KGs). Alleviating the notorious incompleteness of real-world KGs, neural methods achieved impressive results in link prediction and complex query answering tasks by learning representations of entities, relations, and queries. Still, most existing query answering methods rely on transductive entity embeddings and cannot generalize to KGs containing new entities without retraining the entity embeddings. In this work, we study the inductive query answering task where inference is performed on a …
Although reinforcement learning has been successfully applied in many domains in recent years, we still lack agents that can systematically generalize. While relational inductive biases that fit a task can improve generalization of RL agents, these biases are commonly hard-coded directly in the agent's neural architecture. In this work, we show that we can incorporate relational inductive biases, encoded in the form of relational graphs, into agents. Based on this insight, we propose Grid-to-Graph (GTG), a mapping from grid structures to relational graphs that carry useful spatial relational i…
Program synthesis approaches struggle to learn programs with numerical values. An especially difficult problem is learning continuous values over multiple examples, such as intervals. To overcome this limitation, we introduce an inductive logic programming approach which combines relational learning with numerical reasoning. Our approach, which we call NUMSYNTH, uses satisfiability modulo theories solvers to efficiently learn programs with numerical values. Our approach can identify numerical values in linear arithmetic fragments, such as real difference logic, and from infinite domains, such …
Despite recent advances in modern machine learning algorithms, the opaqueness of their underlying mechanisms continues to be an obstacle in adoption. To instill confidence and trust in artificial intelligence systems, Explainable Artificial Intelligence has emerged as a response to improving modern machine learning algorithms' explainability. Inductive Logic Programming (ILP), a subfield of symbolic artificial intelligence, plays a promising role in generating interpretable explanations because of its intuitive logic-driven framework. ILP effectively leverages abductive reasoning to generate e…
Locality-Sensitive Hashing-Based Efficient Point Transformer with Applications in High-Energy Physics
Georgia Institute of Technology（佐治亚理工学院）；Beijing University of Posts and Telecommunications（北京邮电大学）；Purdue University（普渡大学）；University of California San Diego（加利福尼亚大学圣迭戈分校）
Non-Intrusive Graph-Based Bot Detection for E-Commerce Using Inductive Graph Neural Networks
College of Engineering Northeastern University Boston, USA（工程学院 哈佛大学 波士顿 美国）；Khoury College of Computer Sciences Northeastern University Boston, USA（计算机科学学院 哈佛大学 波士顿 美国）；College of Professional Studies Northeastern University Boston, USA（专业研究学院 哈佛大学 波士顿 美国）
The dominant paradigm for relation prediction in knowledge graphs involves learning and operating on latent representations (i.e., embeddings) of entities and relations. However, these embedding-based methods do not explicitly capture the compositional logical rules underlying the knowledge graph, and they are limited to the transductive setting, where the full set of entities must be known during training. Here, we propose a graph neural network based relation prediction framework, GraIL, that reasons over local subgraph structures and has a strong inductive bias to learn entity-independent r…
Sun Yat-sen University（中山大学）；Galixir Technologies Ltd（Galixir科技有限公司）
Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without considering other relation types like agonist, antagonist, etc. In addition, existing methods either heavily rely on high-quality domain features or are intrinsically transductive, which limits the capacity of models to generalize to drugs/genes that lack external information or are unseen during the training process. To address these problems, we propose a nove…
Università degli Studi di Firenze（佛罗伦萨大学）；KU Leuven（鲁汶大学）；Albert-Ludwigs-Universität（阿尔伯特-路德维希大学）
We introduce kLog, a novel approach to statistical relational learning. Unlike standard approaches, kLog does not represent a probability distribution directly. It is rather a language to perform kernel-based learning on expressive logical and relational representations. kLog allows users to specify learning problems declaratively. It builds on simple but powerful concepts: learning from interpretations, entity/relationship data modeling, logic programming, and deductive databases. Access by the kernel to the rich representation is mediated by a technique we call graphicalization: the relation…
Relational Reinforcement Learning (RRL) can offers various desirable features. Most importantly, it allows for incorporating expert knowledge into the learning, and hence leading to much faster learning and better generalization compared to the standard deep reinforcement learning. However, most of the existing RRL approaches are either incapable of incorporating expert background knowledge (e.g., in the form of explicit predicate language) or are not able to learn directly from non-relational data such as image. In this paper, we propose a novel deep RRL based on a differentiable Inductive Lo…
Representational Alignment with Chemical Induced Fit for Molecular Relational Learning
Wuhan University of Technology（武汉理工大学）；Yonsei University（延世大学）；Hubei Key Laboratory of Transportation Internet of Things（湖北省交通运输物联网重点实验室）；Dalian University（大连大学）
Current deep learning approaches have shown good in-distribution generalization performance, but struggle with out-of-distribution generalization. This is especially true in the case of tasks involving abstract relations like recognizing rules in sequences, as we find in many intelligence tests. Recent work has explored how forcing relational representations to remain distinct from sensory representations, as it seems to be the case in the brain, can help artificial systems. Building on this work, we further explore and formalize the advantages afforded by 'partitioned' representations of rela…
Humans have a rich representation of the entities in their environment. Entities are described by their attributes, and entities that share attributes are often semantically related. For example, if two books have "Natural Language Processing" as the value of their `title' attribute, we can expect that their `topic' attribute will also be equal, namely, "NLP". Humans tend to generalize such observations, and infer sufficient conditions under which the `topic' attribute of any entity is "NLP". If robots need to interact successfully with humans, they need to represent entities, attributes, and …
DeepMind；MIT（麻省理工学院）；Department of Brain and Cognitive Sciences（脑与认知科学系；麻省理工学院）；MIT
While current deep learning systems excel at tasks such as object classification, language processing, and gameplay, few can construct or modify a complex system such as a tower of blocks. We hypothesize that what these systems lack is a "relational inductive bias": a capacity for reasoning about inter-object relations and making choices over a structured description of a scene. To test this hypothesis, we focus on a task that involves gluing pairs of blocks together to stabilize a tower, and quantify how well humans perform. We then introduce a deep reinforcement learning agent which uses obj…
Department of Computer Science and Technology（计算机科学与技术系）；University of Cambridge（剑桥大学）
While modern deep neural architectures generalise well when test data is sampled from the same distribution as training data, they fail badly for cases when the test data distribution differs from the training distribution even along a few dimensions. This lack of out-of-distribution generalisation is increasingly manifested when the tasks become more abstract and complex, such as in relational reasoning. In this paper we propose a neuroscience-inspired inductive-biased module that can be readily amalgamated with current neural network architectures to improve out-of-distribution (o.o.d) gener…
Imperial College London（帝国理工学院）；University College London（伦敦大学学院）；City University of London（伦敦城市大学）
We propose a new model for relational VAE semi-supervision capable of balancing disentanglement and low complexity modelling of relations with different symbolic properties. We compare the relative benefits of relation-decoder complexity and latent space structure on both inductive and transductive transfer learning. Our results depict a complex picture where enforcing structure on semi-supervised representations can greatly improve zero-shot transductive transfer, but may be less favourable or even impact negatively the capacity for inductive transfer.
Realistic models of physical world rely on differentiable symmetries that, in turn, correspond to conservation laws. Recent works on Lagrangian and Hamiltonian neural networks show that the underlying symmetries of a system can be easily learned by a neural network when provided with an appropriate inductive bias. However, these models still suffer from issues such as inability to generalize to arbitrary system sizes, poor interpretability, and most importantly, inability to learn translational and rotational symmetries, which lead to the conservation laws of linear and angular momentum, respe…
DeepMind（深度思维）；Google Brain（谷歌大脑）；MIT（麻省理工学院）；University of Edinburgh（爱丁堡大学）
Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following…
State-of-the-art reinforcement learning algorithms predominantly learn a policy from either a numerical state vector or images. Both approaches generally do not take structural knowledge of the task into account, which is especially prevalent in robotic applications and can benefit learning if exploited. This work introduces a neural network architecture that combines relational inductive bias and visual feedback to learn an efficient position control policy for robotic manipulation. We derive a graph representation that models the physical structure of the manipulator and combines the robot's…
In recent research, human-understandable explanations of machine learning models have received a lot of attention. Often explanations are given in form of model simplifications or visualizations. However, as shown in cognitive science as well as in early AI research, concept understanding can also be improved by the alignment of a given instance for a concept with a similar counterexample. Contrasting a given instance with a structurally similar example which does not belong to the concept highlights what characteristics are necessary for concept membership. Such near misses have been proposed…
Institute of Information Engineering, Chinese Academy of Sciences（中国科学院信息工程研究所）；School of Cyber Security, University of Chinese Academy of Sciences（中国科学院大学网络空间安全学院）
Inductive link prediction for knowledge graph aims at predicting missing links between unseen entities, those not shown in training stage. Most previous works learn entity-specific embeddings of entities, which cannot handle unseen entities. Recent several methods utilize enclosing subgraph to obtain inductive ability. However, all these works only consider the enclosing part of subgraph without complete neighboring relations, which leads to the issue that partial neighboring relations are neglected, and sparse subgraphs are hard to be handled. To address that, we propose Subgraph Neighboring …
Ecole Normale Supérieure（巴黎高等师范学院）；Facebook AI Research（脸书人工智能研究院）
Convolutional architectures have proven extremely successful for vision tasks. Their hard inductive biases enable sample-efficient learning, but come at the cost of a potentially lower performance ceiling. Vision Transformers (ViTs) rely on more flexible self-attention layers, and have recently outperformed CNNs for image classification. However, they require costly pre-training on large external datasets or distillation from pre-trained convolutional networks. In this paper, we ask the following question: is it possible to combine the strengths of these two architectures while avoiding their …
Learning from demonstration is an effective method for human users to instruct desired robot behaviour. However, for most non-trivial tasks of practical interest, efficient learning from demonstration depends crucially on inductive bias in the chosen structure for rewards/costs and policies. We address the case where this inductive bias comes from an exchange with a human user. We propose a method in which a learning agent utilizes the information bottleneck layer of a high-parameter variational neural model, with auxiliary loss terms, in order to ground abstract concepts such as spatial relat…
Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. In this work, we propose a relational message passing method for knowledge graph completion. Different from existing embedding-based methods, relational message passing only considers edge features (i.e., relation types) without entity IDs in the knowledge graph, and passes relational messages among edges iteratively to aggregate neighborhood information. Specifically, two kinds of neighborhood topology are modeled for a given entity pair under the relational message passing framework: (1) Relat…
University of Science and Technology of China（中国科学技术大学）
Inductive link prediction -- where entities during training and inference stages can be different -- has been shown to be promising for completing continuously evolving knowledge graphs. Existing models of inductive reasoning mainly focus on predicting missing links by learning logical rules. However, many existing approaches do not take into account semantic correlations between relations, which are commonly seen in real-world knowledge graphs. To address this challenge, we propose a novel inductive reasoning approach, namely TACT, which can effectively exploit Topology-Aware CorrelaTions bet…
