Learning Graph Quantized Tokenizers for Transformers

Transformers serve as the backbone architectures of Foundational Models, where a domain-specific tokenizer helps them adapt to various domains. Graph Transformers (GTs) have recently emerged as a leading model in geometric deep learning, outperforming Graph Neural Networks (GNNs) in various graph learning tasks. However, the development of tokenizers for graphs has lagged behind other modalities, with existing approaches relying on heuristics or GNNs co-trained with Transformers. To address this, we introduce GQT (\textbf{G}raph \textbf{Q}uantized \textbf{T}okenizer), which decouples tokenizer training from Transformer training by leveraging multi-task graph self-supervised learning, yielding robust and generalizable graph tokens. Furthermore, the GQT utilizes Residual Vector Quantization (RVQ) to learn hierarchical discrete tokens, resulting in significantly reduced memory requirements and improved generalization capabilities. By combining the GQT with token modulation, a Transformer encoder achieves state-of-the-art performance on 16 out of 18 benchmarks, including large-scale homophilic and heterophilic datasets. The code is available at: https://github.com/limei0307/graph-tokenizer

Language Models are Graph Learners

Language Models (LMs) are increasingly challenging the dominance of domain-specific models, including Graph Neural Networks (GNNs) and Graph Transformers (GTs), in graph learning tasks. Following this trend, we propose a novel approach that empowers off-the-shelf LMs to achieve performance comparable to state-of-the-art GNNs on node classification tasks, without requiring any architectural modification. By preserving the LM's original architecture, our approach retains a key benefit of LM instruction tuning: the ability to jointly train on diverse datasets, fostering greater flexibility and efficiency. To achieve this, we introduce two key augmentation strategies: (1) Enriching LMs' input using topological and semantic retrieval methods, which provide richer contextual information, and (2) guiding the LMs' classification process through a lightweight GNN classifier that effectively prunes class candidates. Our experiments on real-world datasets show that backbone Flan-T5 models equipped with these augmentation strategies outperform state-of-the-art text-output node classifiers and are comparable to top-performing vector-output node classifiers. By bridging the gap between specialized task-specific node classifiers and general LMs, this work paves the way for more versatile and widely applicable graph learning models. We will open-source the code upon publication.

Rankitect: Ranking Architecture Search Battling World-class Engineers at Meta Scale

Neural Architecture Search (NAS) has demonstrated its efficacy in computer vision and potential for ranking systems. However, prior work focused on academic problems, which are evaluated at small scale under well-controlled fixed baselines. In industry system, such as ranking system in Meta, it is unclear whether NAS algorithms from the literature can outperform production baselines because of: (1) scale - Meta ranking systems serve billions of users, (2) strong baselines - the baselines are production models optimized by hundreds to thousands of world-class engineers for years since the rise of deep learning, (3) dynamic baselines - engineers may have established new and stronger baselines during NAS search, and (4) efficiency - the search pipeline must yield results quickly in alignment with the productionization life cycle. In this paper, we present Rankitect, a NAS software framework for ranking systems at Meta. Rankitect seeks to build brand new architectures by composing low level building blocks from scratch. Rankitect implements and improves state-of-the-art (SOTA) NAS methods for comprehensive and fair comparison under the same search space, including sampling-based NAS, one-shot NAS, and Differentiable NAS (DNAS). We evaluate Rankitect by comparing to multiple production ranking models at Meta. We find that Rankitect can discover new models from scratch achieving competitive tradeoff between Normalized Entropy loss and FLOPs. When utilizing search space designed by engineers, Rankitect can generate better models than engineers, achieving positive offline evaluation and online A/B test at Meta scale.

MVMTnet: A Multi-variate Multi-modal Transformer for Multi-class Classification of Cardiac Irregularities Using ECG Waveforms and Clinical Notes

Deep learning provides an excellent avenue for optimizing diagnosis and patient monitoring for clinical-based applications, which can critically enhance the response time to the onset of various conditions. For cardiovascular disease, one such condition where the rising number of patients increasingly outweighs the availability of medical resources in different parts of the world, a core challenge is the automated classification of various cardiac abnormalities. Existing deep learning approaches have largely been limited to detecting the existence of an irregularity, as in binary classification, which has been achieved using networks such as CNNs and RNN/LSTMs. The next step is to accurately perform multi-class classification and determine the specific condition(s) from the inherently noisy multi-variate waveform, which is a difficult task that could benefit from (1) a more powerful sequential network, and (2) the integration of clinical notes, which provide valuable semantic and clinical context from human doctors. Recently, Transformers have emerged as the state-of-the-art architecture for forecasting and prediction using time-series data, with their multi-headed attention mechanism, and ability to process whole sequences and learn both long and short-range dependencies. The proposed novel multi-modal Transformer architecture would be able to accurately perform this task while demonstrating the cross-domain effectiveness of Transformers, establishing a method for incorporating multiple data modalities within a Transformer for classification tasks, and laying the groundwork for automating real-time patient condition monitoring in clinical and ER settings.

Material Prediction for Design Automation Using Graph Representation Learning

Successful material selection is critical in designing and manufacturing products for design automation. Designers leverage their knowledge and experience to create high-quality designs by selecting the most appropriate materials through performance, manufacturability, and sustainability evaluation. Intelligent tools can help designers with varying expertise by providing recommendations learned from prior designs. To enable this, we introduce a graph representation learning framework that supports the material prediction of bodies in assemblies. We formulate the material selection task as a node-level prediction task over the assembly graph representation of CAD models and tackle it using Graph Neural Networks (GNNs). Evaluations over three experimental protocols performed on the Fusion 360 Gallery dataset indicate the feasibility of our approach, achieving a 0.75 top-3 micro-f1 score. The proposed framework can scale to large datasets and incorporate designers' knowledge into the learning process. These capabilities allow the framework to serve as a recommendation system for design automation and a baseline for future work, narrowing the gap between human designers and intelligent design agents.

Evaluating Graph Generative Models with Contrastively Learned Features

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of randomly initialized Graph Neural Networks (GNNs). We propose using representations from contrastively trained GNNs, rather than random GNNs, and show this gives more reliable evaluation metrics. Neither traditional approaches nor GNN-based approaches dominate the other, however: we give examples of graphs that each approach is unable to distinguish. We demonstrate that Graph Substructure Networks (GSNs), which in a way combine both approaches, are better at distinguishing the distances between graph datasets.

Learning Graph Augmentations to Learn Graph Representations

Devising augmentations for graph contrastive learning is challenging due to their irregular structure, drastic distribution shifts, and nonequivalent feature spaces across datasets. We introduce LG2AR, Learning Graph Augmentations to Learn Graph Representations, which is an end-to-end automatic graph augmentation framework that helps encoders learn generalizable representations on both node and graph levels. LG2AR consists of a probabilistic policy that learns a distribution over augmentations and a set of probabilistic augmentation heads that learn distributions over augmentation parameters. We show that LG2AR achieves state-of-the-art results on 18 out of 20 graph-level and node-level benchmarks compared to previous unsupervised models under both linear and semi-supervised evaluation protocols. The source code will be released here: https://github.com/kavehhassani/lg2ar

Cross-Domain Few-Shot Graph Classification

We study the problem of few-shot graph classification across domains with nonequivalent feature spaces by introducing three new cross-domain benchmarks constructed from publicly available datasets. We also propose an attention-based graph encoder that uses three congruent views of graphs, one contextual and two topological views, to learn representations of task-specific information for fast adaptation, and task-agnostic information for knowledge transfer. We run exhaustive experiments to evaluate the performance of contrastive and meta-learning strategies. We show that when coupled with metric-based meta-learning frameworks, the proposed encoder achieves the best average meta-test classification accuracy across all benchmarks. The source code and data will be released here: https://github.com/kavehhassani/metagrl

Classifying Component Function in Product Assemblies with Graph Neural Networks

Function is defined as the ensemble of tasks that enable the product to complete the designed purpose. Functional tools, such as functional modeling, offer decision guidance in the early phase of product design, where explicit design decisions are yet to be made. Function-based design data is often sparse and grounded in individual interpretation. As such, function-based design tools can benefit from automatic function classification to increase data fidelity and provide function representation models that enable function-based intelligent design agents. Function-based design data is commonly stored in manually generated design repositories. These design repositories are a collection of expert knowledge and interpretations of function in product design bounded by function-flow and component taxonomies. In this work, we represent a structured taxonomy-based design repository as assembly-flow graphs, then leverage a graph neural network (GNN) model to perform automatic function classification. We support automated function classification by learning from repository data to establish the ground truth of component function assignment. Experimental results show that our GNN model achieves a micro-average F${_1}$-score of 0.832 for tier 1 (broad), 0.756 for tier 2, and 0.783 for tier 3 (specific) functions. Given the imbalance of data features, the results are encouraging. Our efforts in this paper can be a starting point for more sophisticated applications in knowledge-based CAD systems and Design-for-X consideration in function-based design.

PointMask: Towards Interpretable and Bias-Resilient Point Cloud Processing

Deep classifiers tend to associate a few discriminative input variables with their objective function, which in turn, may hurt their generalization capabilities. To address this, one can design systematic experiments and/or inspect the models via interpretability methods. In this paper, we investigate both of these strategies on deep models operating on point clouds. We propose PointMask, a model-agnostic interpretable information-bottleneck approach for attribution in point cloud models. PointMask encourages exploring the majority of variation factors in the input space while gradually converging to a general solution. More specifically, PointMask introduces a regularization term that minimizes the mutual information between the input and the latent features used to masks out irrelevant variables. We show that coupling a PointMask layer with an arbitrary model can discern the points in the input space which contribute the most to the prediction score, thereby leading to interpretability. Through designed bias experiments, we also show that thanks to its gradual masking feature, our proposed method is effective in handling data bias.