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We present a hierarchical neural message passing architecture for learning on molecular graphs. Our model takes in two complementary graph representations: the raw molecular graph representation and its associated junction tree, where nodes…

Machine Learning · Computer Science 2020-06-23 Matthias Fey , Jan-Gin Yuen , Frank Weichert

Subgraph queries also known as subgraph isomorphism search is a fundamental problem in querying graph-like structured data. It consists to enumerate the subgraphs of a data graph that match a query graph. This problem arises in many…

Databases · Computer Science 2018-07-11 C. Nabti , T. Mecharnia , S. E. Boukhetta , H. Seba , K. Amrouche

Deep learning has become the dominant approach for creating high capacity, scalable models across diverse data modalities. However, because these models rely on a large number of learned parameters, tightly couple feature extraction with…

Artificial Intelligence · Computer Science 2026-05-12 Adam Gould , Francesca Toni

Search engines can quickly response a hyperlink list according to query keywords. However, when a query is complex, developers need to repeatedly refine the search keywords and open a large number of web pages to find and summarize answers.…

Artificial Intelligence · Computer Science 2020-12-29 Xuejiao Zhao , Huanhuan Chen , Zhenchang Xing , Chunyan Miao

In this paper, we develop a framework to obtain graph abstractions for decision-making by an agent where the abstractions emerge as a function of the agent's limited computational resources. We discuss the connection of the proposed…

Robotics · Computer Science 2021-02-22 Daniel T. Larsson , Dipankar Maity , Panagiotis Tsiotras

We study the interpretability issue of task-oriented dialogue systems in this paper. Previously, most neural-based task-oriented dialogue systems employ an implicit reasoning strategy that makes the model predictions uninterpretable to…

Computation and Language · Computer Science 2022-03-14 Shiquan Yang , Rui Zhang , Sarah Erfani , Jey Han Lau

Visual Question Answering (VQA) is a challenging problem that requires to process multimodal input. Answer-Set Programming (ASP) has shown great potential in this regard to add interpretability and explainability to modular VQA…

Artificial Intelligence · Computer Science 2025-02-14 Jakob Johannes Bauer , Thomas Eiter , Nelson Higuera Ruiz , Johannes Oetsch

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship…

Artificial Intelligence · Computer Science 2025-01-15 Markus J. Buehler

We study the application of the factor graph framework for symbol detection on linear inter-symbol interference channels. Cyclic factor graphs have the potential to yield low-complexity symbol detectors, but are suboptimal if the ubiquitous…

Information Theory · Computer Science 2022-08-30 Luca Schmid , Laurent Schmalen

Question answering is an effective method for obtaining information from knowledge bases (KB). In this paper, we propose the Neural-Symbolic Complex Question Answering (NS-CQA) model, a data-efficient reinforcement learning framework for…

Computation and Language · Computer Science 2020-11-02 Yuncheng Hua , Yuan-Fang Li , Guilin Qi , Wei Wu , Jingyao Zhang , Daiqing Qi

Recent interest in Knowledge Base Completion (KBC) has led to a plethora of approaches based on reinforcement learning, inductive logic programming and graph embeddings. In particular, rule-based KBC has led to interpretable rules while…

Artificial Intelligence · Computer Science 2021-09-21 Prithviraj Sen , Breno W. S. R. Carvalho , Ibrahim Abdelaziz , Pavan Kapanipathi , Francois Luus , Salim Roukos , Alexander Gray

This paper addresses the problems of missing reasoning chains and insufficient entity-level semantic understanding in large language models when dealing with tasks that require structured knowledge. It proposes a fine-tuning algorithm…

Computation and Language · Computer Science 2025-08-21 Wuyang Zhang , Yexin Tian , Xiandong Meng , Mengjie Wang , Junliang Du

Neural methods for Complex Query Answering (CQA) over knowledge graphs (KGs) are widely believed to learn patterns that generalize beyond explicit graph structure, allowing them to infer answers that are unreachable through symbolic query…

Artificial Intelligence · Computer Science 2026-05-12 Yannick Brunink , Daniel Daza , Yunjie He , Michael Cochez

Knowledge graph embedding involves learning representations of entities -- the vertices of the graph -- and relations -- the edges of the graph -- such that the resulting representations encode the known factual information represented by…

Machine Learning · Computer Science 2023-03-21 Thomas Gebhart , Jakob Hansen , Paul Schrater

Complex Query Answering (CQA) is a fundamental knowledge representation and reasoning task over incomplete knowledge graphs (KGs). Answering existential first-order queries with $k$ free variables (i.e., $\text{EFO}_k$ queries) is a crucial…

Artificial Intelligence · Computer Science 2026-05-26 Weizhi Fei , Hang Yin , Zihao Wang , Shukai Zhao , Wei Zhang , Yangqiu Song

We introduce a framework for generating, organizing, and reasoning with computational knowledge. It is motivated by the observation that most problems in Computational Sciences and Engineering (CSE) can be formulated as that of completing…

Machine Learning · Statistics 2022-03-31 Houman Owhadi

The emergence of explainability methods has enabled a better comprehension of how deep neural networks operate through concepts that are easily understood and implemented by the end user. While most explainability methods have been designed…

Neurons and Cognition · Quantitative Biology 2022-03-17 Fernanda L. Ribeiro , Steffen Bollmann , Ross Cunnington , Alexander M. Puckett

A key objective in the field of artificial intelligence is to develop cognitive models that can exhibit human-like intellectual capabilities. One promising approach to achieving this is through neural-symbolic systems, which combine the…

Artificial Intelligence · Computer Science 2025-02-25 Dongran Yu , Xueyan Liu , Shirui Pan , Anchen Li , Bo Yang

Deep neural networks have emerged as the workhorse for a large section of robotics and control applications, especially as models for dynamical systems. Such data-driven models are in turn used for designing and verifying autonomous…

Machine Learning · Computer Science 2023-11-08 Kaustubh Sridhar , Souradeep Dutta , James Weimer , Insup Lee

Probabilistic inferences distill knowledge from graphs to aid human make important decisions. Due to the inherent uncertainty in the model and the complexity of the knowledge, it is desirable to help the end-users understand the inference…

Social and Information Networks · Computer Science 2019-08-21 Chao Chen , Yifei Liu , Xi Zhang , Sihong Xie
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