KwaiAgents: Generalized Information-seeking Agent System with Large Language Models

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast amounts of information in their brains, humans excel in critical thinking, planning, reflection, and harnessing available tools to interact with and interpret the world, enabling them to find answers efficiently. The recent advancements in large language models (LLMs) suggest that machines might also possess the aforementioned human-like capabilities, allowing them to exhibit powerful abilities even with a constrained parameter count. In this paper, we introduce KwaiAgents, a generalized information-seeking agent system based on LLMs. Within KwaiAgents, we propose an agent system that employs LLMs as its cognitive core, which is capable of understanding a user's query, behavior guidelines, and referencing external documents. The agent can also update and retrieve information from its internal memory, plan and execute actions using a time-aware search-browse toolkit, and ultimately provide a comprehensive response. We further investigate the system's performance when powered by LLMs less advanced than GPT-4, and introduce the Meta-Agent Tuning (MAT) framework, designed to ensure even an open-sourced 7B or 13B model performs well among many agent systems. We exploit both benchmark and human evaluations to systematically validate these capabilities. Extensive experiments show the superiority of our agent system compared to other autonomous agents and highlight the enhanced generalized agent-abilities of our fine-tuned LLMs.

Comprehensive Evaluation of GNN Training Systems: A Data Management Perspective

Many Graph Neural Network (GNN) training systems have emerged recently to support efficient GNN training. Since GNNs embody complex data dependencies between training samples, the training of GNNs should address distinct challenges different from DNN training in data management, such as data partitioning, batch preparation for mini-batch training, and data transferring between CPUs and GPUs. These factors, which take up a large proportion of training time, make data management in GNN training more significant. This paper reviews GNN training from a data management perspective and provides a comprehensive analysis and evaluation of the representative approaches. We conduct extensive experiments on various benchmark datasets and show many interesting and valuable results. We also provide some practical tips learned from these experiments, which are helpful for designing GNN training systems in the future.

NeutronOrch: Rethinking Sample-based GNN Training under CPU-GPU Heterogeneous Environments

Graph Neural Networks (GNNs) have demonstrated outstanding performance in various applications. Existing frameworks utilize CPU-GPU heterogeneous environments to train GNN models and integrate mini-batch and sampling techniques to overcome the GPU memory limitation. In CPU-GPU heterogeneous environments, we can divide sample-based GNN training into three steps: sample, gather, and train. Existing GNN systems use different task orchestrating methods to employ each step on CPU or GPU. After extensive experiments and analysis, we find that existing task orchestrating methods fail to fully utilize the heterogeneous resources, limited by inefficient CPU processing or GPU resource contention. In this paper, we propose NeutronOrch, a system for sample-based GNN training that incorporates a layer-based task orchestrating method and ensures balanced utilization of the CPU and GPU. NeutronOrch decouples the training process by layer and pushes down the training task of the bottom layer to the CPU. This significantly reduces the computational load and memory footprint of GPU training. To avoid inefficient CPU processing, NeutronOrch only offloads the training of frequently accessed vertices to the CPU and lets GPU reuse their embeddings with bounded staleness. Furthermore, NeutronOrch provides a fine-grained pipeline design for the layer-based task orchestrating method, fully overlapping different tasks on heterogeneous resources while strictly guaranteeing bounded staleness. The experimental results show that compared with the state-of-the-art GNN systems, NeutronOrch can achieve up to 4.61x performance speedup.

A Simple Temporal Information Matching Mechanism for Entity Alignment Between Temporal Knowledge Graphs

Entity alignment (EA) aims to find entities in different knowledge graphs (KGs) that refer to the same object in the real world. Recent studies incorporate temporal information to augment the representations of KGs. The existing methods for EA between temporal KGs (TKGs) utilize a time-aware attention mechanism to incorporate relational and temporal information into entity embeddings. The approaches outperform the previous methods by using temporal information. However, we believe that it is not necessary to learn the embeddings of temporal information in KGs since most TKGs have uniform temporal representations. Therefore, we propose a simple graph neural network (GNN) model combined with a temporal information matching mechanism, which achieves better performance with less time and fewer parameters. Furthermore, since alignment seeds are difficult to label in real-world applications, we also propose a method to generate unsupervised alignment seeds via the temporal information of TKG. Extensive experiments on public datasets indicate that our supervised method significantly outperforms the previous methods and the unsupervised one has competitive performance.

FlowX: Towards Explainable Graph Neural Networks via Message Flows

We investigate the explainability of graph neural networks (GNNs) as a step towards elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent functional mechanism of GNNs, message flows are more natural for performing explainability. To this end, we propose a novel method here, known as FlowX, to explain GNNs by identifying important message flows. To quantify the importance of flows, we propose to follow the philosophy of Shapley values from cooperative game theory. To tackle the complexity of computing all coalitions' marginal contributions, we propose an approximation scheme to compute Shapley-like values as initial assessments of further redistribution training. We then propose a learning algorithm to train flow scores and improve explainability. Experimental studies on both synthetic and real-world datasets demonstrate that our proposed FlowX leads to improved explainability of GNNs.

A Dual-Attention Neural Network for Pun Location and Using Pun-Gloss Pairs for Interpretation

Pun location is to identify the punning word (usually a word or a phrase that makes the text ambiguous) in a given short text, and pun interpretation is to find out two different meanings of the punning word. Most previous studies adopt limited word senses obtained by WSD(Word Sense Disambiguation) technique or pronunciation information in isolation to address pun location. For the task of pun interpretation, related work pays attention to various WSD algorithms. In this paper, a model called DANN (Dual-Attentive Neural Network) is proposed for pun location, effectively integrates word senses and pronunciation with context information to address two kinds of pun at the same time. Furthermore, we treat pun interpretation as a classification task and construct pungloss pairs as processing data to solve this task. Experiments on the two benchmark datasets show that our proposed methods achieve new state-of-the-art results. Our source code is available in the public code repository.

Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks

Molecular property prediction is gaining increasing attention due to its diverse applications. One task of particular interests and importance is to predict quantum chemical properties without 3D equilibrium structures. This is practically favorable since obtaining 3D equilibrium structures requires extremely expensive calculations. In this work, we design a deep graph neural network to predict quantum properties by directly learning from 2D molecular graphs. In addition, we propose a 3D graph neural network to learn from low-cost conformer sets, which can be obtained with open-source tools using an affordable budget. We employ our methods to participate in the 2021 KDD Cup on OGB Large-Scale Challenge (OGB-LSC), which aims to predict the HOMO-LUMO energy gap of molecules. Final evaluation results reveal that we are one of the winners with a mean absolute error of 0.1235 on the holdout test set. Our implementation is available as part of the MoleculeX package (https://github.com/divelab/MoleculeX).

DIG: A Turnkey Library for Diving into Graph Deep Learning Research

Although there exist several libraries for deep learning on graphs, they are aiming at implementing basic operations for graph deep learning. In the research community, implementing and benchmarking various advanced tasks are still painful and time-consuming with existing libraries. To facilitate graph deep learning research, we introduce DIG: Dive into Graphs, a research-oriented library that integrates unified and extensible implementations of common graph deep learning algorithms for several advanced tasks. Currently, we consider graph generation, self-supervised learning on graphs, explainability of graph neural networks, and deep learning on 3D graphs. For each direction, we provide unified implementations of data interfaces, common algorithms, and evaluation metrics. Altogether, DIG is an extensible, open-source, and turnkey library for researchers to develop new methods and effortlessly compare with common baselines using widely used datasets and evaluation metrics. Source code and documentations are available at https://github.com/divelab/DIG/.

On Explainability of Graph Neural Networks via Subgraph Explorations

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Node2Seq: Towards Trainable Convolutions in Graph Neural Networks

Investigating graph feature learning becomes essentially important with the emergence of graph data in many real-world applications. Several graph neural network approaches are proposed for node feature learning and they generally follow a neighboring information aggregation scheme to learn node features. While great performance has been achieved, the weights learning for different neighboring nodes is still less explored. In this work, we propose a novel graph network layer, known as Node2Seq, to learn node embeddings with explicitly trainable weights for different neighboring nodes. For a target node, our method sorts its neighboring nodes via attention mechanism and then employs 1D convolutional neural networks (CNNs) to enable explicit weights for information aggregation. In addition, we propose to incorporate non-local information for feature learning in an adaptive manner based on the attention scores. Experimental results demonstrate the effectiveness of our proposed Node2Seq layer and show that the proposed adaptively non-local information learning can improve the performance of feature learning.