Investigating Layer Importance in Large Language Models

Large language models (LLMs) have gained increasing attention due to their prominent ability to understand and process texts. Nevertheless, LLMs largely remain opaque. The lack of understanding of LLMs has obstructed the deployment in safety-critical scenarios and hindered the development of better models. In this study, we advance the understanding of LLM by investigating the significance of individual layers in LLMs. We propose an efficient sampling method to faithfully evaluate the importance of layers using Shapley values, a widely used explanation framework in feature attribution and data valuation. In addition, we conduct layer ablation experiments to assess the performance degradation resulting from the exclusion of specific layers. Our findings reveal the existence of cornerstone layers, wherein certain early layers can exhibit a dominant contribution over others. Removing one cornerstone layer leads to a drastic collapse of the model performance, often reducing it to random guessing. Conversely, removing non-cornerstone layers results in only marginal performance changes. This study identifies cornerstone layers in LLMs and underscores their critical role for future research.

Hierarchical Neural Constructive Solver for Real-world TSP Scenarios

Existing neural constructive solvers for routing problems have predominantly employed transformer architectures, conceptualizing the route construction as a set-to-sequence learning task. However, their efficacy has primarily been demonstrated on entirely random problem instances that inadequately capture real-world scenarios. In this paper, we introduce realistic Traveling Salesman Problem (TSP) scenarios relevant to industrial settings and derive the following insights: (1) The optimal next node (or city) to visit often lies within proximity to the current node, suggesting the potential benefits of biasing choices based on current locations. (2) Effectively solving the TSP requires robust tracking of unvisited nodes and warrants succinct grouping strategies. Building upon these insights, we propose integrating a learnable choice layer inspired by Hypernetworks to prioritize choices based on the current location, and a learnable approximate clustering algorithm inspired by the Expectation-Maximization algorithm to facilitate grouping the unvisited cities. Together, these two contributions form a hierarchical approach towards solving the realistic TSP by considering both immediate local neighbourhoods and learning an intermediate set of node representations. Our hierarchical approach yields superior performance compared to both classical and recent transformer models, showcasing the efficacy of the key designs.

Differentiable Cluster Graph Neural Network

Graph Neural Networks often struggle with long-range information propagation and in the presence of heterophilous neighborhoods. We address both challenges with a unified framework that incorporates a clustering inductive bias into the message passing mechanism, using additional cluster-nodes. Central to our approach is the formulation of an optimal transport based implicit clustering objective function. However, the algorithm for solving the implicit objective function needs to be differentiable to enable end-to-end learning of the GNN. To facilitate this, we adopt an entropy regularized objective function and propose an iterative optimization process, alternating between solving for the cluster assignments and updating the node/cluster-node embeddings. Notably, our derived closed-form optimization steps are themselves simple yet elegant message passing steps operating seamlessly on a bipartite graph of nodes and cluster-nodes. Our clustering-based approach can effectively capture both local and global information, demonstrated by extensive experiments on both heterophilous and homophilous datasets.

Enabling Roll-up and Drill-down Operations in News Exploration with Knowledge Graphs for Due Diligence and Risk Management

Efficient news exploration is crucial in real-world applications, particularly within the financial sector, where numerous control and risk assessment tasks rely on the analysis of public news reports. The current processes in this domain predominantly rely on manual efforts, often involving keywordbased searches and the compilation of extensive keyword lists. In this paper, we introduce NCEXPLORER, a framework designed with OLAP-like operations to enhance the news exploration experience. NCEXPLORER empowers users to use roll-up operations for a broader content overview and drill-down operations for detailed insights. These operations are achieved through integration with external knowledge graphs (KGs), encompassing both fact-based and ontology-based structures. This integration significantly augments exploration capabilities, offering a more comprehensive and efficient approach to unveiling the underlying structures and nuances embedded in news content. Extensive empirical studies through master-qualified evaluators on Amazon Mechanical Turk demonstrate NCEXPLORER's superiority over existing state-of-the-art news search methodologies across an array of topic domains, using real-world news datasets.

Lightweight Spatial Modeling for Combinatorial Information Extraction From Documents

Documents that consist of diverse templates and exhibit complex spatial structures pose a challenge for document entity classification. We propose KNN-former, which incorporates a new kind of spatial bias in attention calculation based on the K-nearest-neighbor (KNN) graph of document entities. We limit entities' attention only to their local radius defined by the KNN graph. We also use combinatorial matching to address the one-to-one mapping property that exists in many documents, where one field has only one corresponding entity. Moreover, our method is highly parameter-efficient compared to existing approaches in terms of the number of trainable parameters. Despite this, experiments across various datasets show our method outperforms baselines in most entity types. Many real-world documents exhibit combinatorial properties which can be leveraged as inductive biases to improve extraction accuracy, but existing datasets do not cover these documents. To facilitate future research into these types of documents, we release a new ID document dataset that covers diverse templates and languages. We also release enhanced annotations for an existing dataset.

Constrained Layout Generation with Factor Graphs

This paper addresses the challenge of object-centric layout generation under spatial constraints, seen in multiple domains including floorplan design process. The design process typically involves specifying a set of spatial constraints that include object attributes like size and inter-object relations such as relative positioning. Existing works, which typically represent objects as single nodes, lack the granularity to accurately model complex interactions between objects. For instance, often only certain parts of an object, like a room's right wall, interact with adjacent objects. To address this gap, we introduce a factor graph based approach with four latent variable nodes for each room, and a factor node for each constraint. The factor nodes represent dependencies among the variables to which they are connected, effectively capturing constraints that are potentially of a higher order. We then develop message-passing on the bipartite graph, forming a factor graph neural network that is trained to produce a floorplan that aligns with the desired requirements. Our approach is simple and generates layouts faithful to the user requirements, demonstrated by a large improvement in IOU scores over existing methods. Additionally, our approach, being inferential and accurate, is well-suited to the practical human-in-the-loop design process where specifications evolve iteratively, offering a practical and powerful tool for AI-guided design.

PF-GNN: Differentiable particle filtering based approximation of universal graph representations

Message passing Graph Neural Networks (GNNs) are known to be limited in expressive power by the 1-WL color-refinement test for graph isomorphism. Other more expressive models either are computationally expensive or need preprocessing to extract structural features from the graph. In this work, we propose to make GNNs universal by guiding the learning process with exact isomorphism solver techniques which operate on the paradigm of Individualization and Refinement (IR), a method to artificially introduce asymmetry and further refine the coloring when 1-WL stops. Isomorphism solvers generate a search tree of colorings whose leaves uniquely identify the graph. However, the tree grows exponentially large and needs hand-crafted pruning techniques which are not desirable from a learning perspective. We take a probabilistic view and approximate the search tree of colorings (i.e. embeddings) by sampling multiple paths from root to leaves of the search tree. To learn more discriminative representations, we guide the sampling process with particle filter updates, a principled approach for sequential state estimation. Our algorithm is end-to-end differentiable, can be applied with any GNN as backbone and learns richer graph representations with only linear increase in runtime. Experimental evaluation shows that our approach consistently outperforms leading GNN models on both synthetic benchmarks for isomorphism detection as well as real-world datasets.

Web News Timeline Generation with Extended Task Prompting

The creation of news timeline is essential for a comprehensive and contextual understanding of events as they unfold over time. This approach aids in discerning patterns and trends that might be obscured when news is viewed in isolation. By organizing news in a chronological sequence, it becomes easier to track the development of stories, understand the interrelation of events, and grasp the broader implications of news items. This is particularly helpful in sectors like finance and insurance, where timely understanding of the event development-ranging from extreme weather to political upheavals and health crises-is indispensable for effective risk management. While traditional natural language processing (NLP) techniques have had some success, they often fail to capture the news with nuanced relevance that are readily apparent to domain experts, hindering broader industry integration. The advance of Large Language Models (LLMs) offers a renewed opportunity to tackle this challenge. However, direct prompting LLMs for this task is often ineffective. Our study investigates the application of an extended task prompting technique to assess past news relevance. We demonstrate that enhancing conventional prompts with additional tasks boosts their effectiveness on various news dataset, rendering news timeline generation practical for professional use. This work has been deployed as a publicly accessible browser extension which is adopted within our network.

Implicit Graph Neural Diffusion Based on Constrained Dirichlet Energy Minimization

Implicit graph neural networks (GNNs) have emerged as a potential approach to enable GNNs to capture long-range dependencies effectively. However, poorly designed implicit GNN layers can experience over-smoothing or may have limited adaptability to learn data geometry, potentially hindering their performance in graph learning problems. To address these issues, we introduce a geometric framework to design implicit graph diffusion layers based on a parameterized graph Laplacian operator. Our framework allows learning the geometry of vertex and edge spaces, as well as the graph gradient operator from data. We further show how implicit GNN layers can be viewed as the fixed-point solution of a Dirichlet energy minimization problem and give conditions under which it may suffer from over-smoothing. To overcome the over-smoothing problem, we design our implicit graph diffusion layer as the solution of a Dirichlet energy minimization problem with constraints on vertex features, enabling it to trade off smoothing with the preservation of node feature information. With an appropriate hyperparameter set to be larger than the largest eigenvalue of the parameterized graph Laplacian, our framework guarantees a unique equilibrium and quick convergence. Our models demonstrate better performance than leading implicit and explicit GNNs on benchmark datasets for node and graph classification tasks, with substantial accuracy improvements observed for some datasets.

Effective Training Strategies for Deep Graph Neural Networks

Graph Neural Networks (GNNs) tend to suffer performance degradation as model depth increases, which is usually attributed in previous works to the oversmoothing problem. However, we find that although oversmoothing is a contributing factor, the main reasons for this phenomenon are training difficulty and overfitting, which we study by experimentally investigating Graph Convolutional Networks (GCNs), a representative GNN architecture. We find that training difficulty is caused by gradient vanishing and can be solved by adding residual connections. More importantly, overfitting is the major obstacle for deep GCNs and cannot be effectively solved by existing regularization techniques. Deep GCNs also suffer training instability, which slows down the training process. To address overfitting and training instability, we propose Node Normalization (NodeNorm), which normalizes each node using its own statistics in model training. The proposed NodeNorm regularizes deep GCNs by discouraging feature-wise correlation of hidden embeddings and increasing model smoothness with respect to input node features, and thus effectively reduces overfitting. Additionally, it stabilizes the training process and hence speeds up the training. Extensive experiments demonstrate that our NodeNorm method generalizes well to other GNN architectures, enabling deep GNNs to compete with and even outperform shallow ones. Code is publicly available.