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Zhaocheng Zhu

Doctorat - Université de Montréal
Superviseur⋅e principal⋅e


Zero-shot Logical Query Reasoning on any Knowledge Graph
Mikhail Galkin
Jincheng Zhou
Bruno Ribeiro
Zhaocheng Zhu
Complex logical query answering (CLQA) in knowledge graphs (KGs) goes beyond simple KG completion and aims at answering compositional querie… (voir plus)s comprised of multiple projections and logical operations. Existing CLQA methods that learn parameters bound to certain entity or relation vocabularies can only be applied to the graph they are trained on which requires substantial training time before being deployed on a new graph. Here we present UltraQuery, an inductive reasoning model that can zero-shot answer logical queries on any KG. The core idea of UltraQuery is to derive both projections and logical operations as vocabulary-independent functions which generalize to new entities and relations in any KG. With the projection operation initialized from a pre-trained inductive KG reasoning model, UltraQuery can solve CLQA on any KG even if it is only finetuned on a single dataset. Experimenting on 23 datasets, UltraQuery in the zero-shot inference mode shows competitive or better query answering performance than best available baselines and sets a new state of the art on 14 of them.
Towards Foundation Models for Knowledge Graph Reasoning
Mikhail Galkin
Xinyu Yuan
Hesham Mostafa
Zhaocheng Zhu
Foundation models in language and vision have the ability to run inference on any textual and visual inputs thanks to the transferable repre… (voir plus)sentations such as a vocabulary of tokens in language. Knowledge graphs (KGs) have different entity and relation vocabularies that generally do not overlap. The key challenge of designing foundation models on KGs is to learn such transferable representations that enable inference on any graph with arbitrary entity and relation vocabularies. In this work, we make a step towards such foundation models and present ULTRA, an approach for learning universal and transferable graph representations. ULTRA builds relational representations as a function conditioned on their interactions. Such a conditioning strategy allows a pre-trained ULTRA model to inductively generalize to any unseen KG with any relation vocabulary and to be fine-tuned on any graph. Conducting link prediction experiments on 57 different KGs, we find that the zero-shot inductive inference performance of a single pre-trained ULTRA model on unseen graphs of various sizes is often on par or better than strong baselines trained on specific graphs. Fine-tuning further boosts the performance.
Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets
Shenyang Huang
Joao Alex Cunha
Zhiyi Li
Gabriela Moisescu-Pareja
Oleksandr Dymov
Samuel Maddrell-Mander
Callum McLean
Frederik Wenkel
Luis Müller
Jama Hussein Mohamud
Ali Parviz
Michael Craig
Michał Koziarski
Jiarui Lu
Zhaocheng Zhu
Cristian Gabellini
Kerstin Klaser
Josef Dean
Cas Wognum … (voir 15 de plus)
Maciej Sypetkowski
Christopher Morris
Ioannis Koutis
Prudencio Tossou
Hadrien Mary
Therence Bois
Andrew William Fitzgibbon
Blazej Banaszewski
Chad Martin
Dominic Masters
Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, wh… (voir plus)ere datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks. The Graphium library is publicly available on Github and the dataset links are available in Part 1 and Part 2.
Large Language Models can Learn Rules
Zhaocheng Zhu
Yuan Xue
Xinyun Chen
Denny Zhou
Dale Schuurmans
Hanjun Dai
GraphText: Graph Reasoning in Text Space
Jianan Zhao
Le Zhuo
Yikang Shen
Meng Qu
Kai Liu
Michael Bronstein
Zhaocheng Zhu
Large Language Models (LLMs) have gained the ability to assimilate human knowledge and facilitate natural language interactions with both hu… (voir plus)mans and other LLMs. However, despite their impressive achievements, LLMs have not made significant advancements in the realm of graph machine learning. This limitation arises because graphs encapsulate distinct relational data, making it challenging to transform them into natural language that LLMs understand. In this paper, we bridge this gap with a novel framework, GraphText, that translates graphs into natural language. GraphText derives a graph-syntax tree for each graph that encapsulates both the node attributes and inter-node relationships. Traversal of the tree yields a graph text sequence, which is then processed by an LLM to treat graph tasks as text generation tasks. Notably, GraphText offers multiple advantages. It introduces training-free graph reasoning: even without training on graph data, GraphText with ChatGPT can achieve on par with, or even surpassing, the performance of supervised-trained graph neural networks through in-context learning (ICL). Furthermore, GraphText paves the way for interactive graph reasoning, allowing both humans and LLMs to communicate with the model seamlessly using natural language. These capabilities underscore the vast, yet-to-be-explored potential of LLMs in the domain of graph machine learning.
A*Net: A Scalable Path-based Reasoning Approach for Knowledge Graphs
Zhaocheng Zhu
Xinyu Yuan
Mikhail Galkin
Louis-Pascal Xhonneux
Sophie Xhonneux
Ming Zhang
Maxime Gazeau