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George Karypis

Publications and source records attributed to George Karypis.

At least 73 records · Page 4Linked to original sources

HYTREL: Hypergraph-enhanced Tabular Data Representation Learning

Language models pretrained on large collections of tabular data have demonstrated their effectiveness in several downstream tasks. However, many of these models do not take into account the row/column permutation invariances, hierarchical structure, etc. that exist in tabular data. To alleviate these limitations, we propose HYTREL, a tabular language model, that captures the permutation invariances and three more structural properties of tabular data by using hypergraphs - where the table cells make up the nodes and the cells occurring jointly together in each row, column, and the entire table are used to form three different types of hyperedges. We show that HYTREL is maximally invariant under certain conditions for tabular data, i.e., two tables obtain the same representations via HYTREL iff the two tables are identical up to permutations. Our empirical results demonstrate that HYTREL consistently outperforms other competitive baselines on four downstream tasks with minimal pretraining, illustrating the advantages of incorporating the inductive biases associated with tabular data into the representations. Finally, our qualitative analyses showcase that HYTREL can assimilate the table structures to generate robust representations for the cells, rows, columns, and the entire table.

cs.LG↗

NameGuess: Column Name Expansion for Tabular Data

Recent advances in large language models have revolutionized many sectors, including the database industry. One common challenge when dealing with large volumes of tabular data is the pervasive use of abbreviated column names, which can negatively impact performance on various data search, access, and understanding tasks. To address this issue, we introduce a new task, called NameGuess, to expand column names (used in database schema) as a natural language generation problem. We create a training dataset of 384K abbreviated-expanded column pairs using a new data fabrication method and a human-annotated evaluation benchmark that includes 9.2K examples from real-world tables. To tackle the complexities associated with polysemy and ambiguity in NameGuess, we enhance auto-regressive language models by conditioning on table content and column header names -- yielding a fine-tuned model (with 2.7B parameters) that matches human performance. Furthermore, we conduct a comprehensive analysis (on multiple LLMs) to validate the effectiveness of table content in NameGuess and identify promising future opportunities. Code has been made available at https://github.com/amazon-science/nameguess.

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Open Problems in (Hyper)Graph Decomposition

Large networks are useful in a wide range of applications. Sometimes problem instances are composed of billions of entities. Decomposing and analyzing these structures helps us gain new insights about our surroundings. Even if the final application concerns a different problem (such as traversal, finding paths, trees, and flows), decomposing large graphs is often an important subproblem for complexity reduction or parallelization. This report is a summary of discussions that happened at Dagstuhl seminar 23331 on "Recent Trends in Graph Decomposition" and presents currently open problems and future directions in the area of (hyper)graph decomposition.

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Automatic Clipping: Differentially Private Deep Learning Made Easier and Stronger

Per-example gradient clipping is a key algorithmic step that enables practical differential private (DP) training for deep learning models. The choice of clipping threshold R, however, is vital for achieving high accuracy under DP. We propose an easy-to-use replacement, called automatic clipping, that eliminates the need to tune R for any DP optimizers, including DP-SGD, DP-Adam, DP-LAMB and many others. The automatic variants are as private and computationally efficient as existing DP optimizers, but require no DP-specific hyperparameters and thus make DP training as amenable as the standard non-private training. We give a rigorous convergence analysis of automatic DP-SGD in the non-convex setting, showing that it can enjoy an asymptotic convergence rate that matches the standard SGD, under a symmetric gradient noise assumption of the per-sample gradients (commonly used in the non-DP literature). We demonstrate on various language and vision tasks that automatic clipping outperforms or matches the state-of-the-art, and can be easily employed with minimal changes to existing codebases.

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Coupling public and private gradient provably helps optimization

The success of large neural networks is crucially determined by the availability of data. It has been observed that training only on a small amount of public data, or privately on the abundant private data can lead to undesirable degradation of accuracy. In this work, we leverage both private and public data to improve the optimization, by coupling their gradients via a weighted linear combination. We formulate an optimal solution for the optimal weight in the convex setting to indicate that the weighting coefficient should be hyperparameter-dependent. Then, we prove the acceleration in the convergence of non-convex loss and the effects of hyper-parameters such as privacy budget, number of iterations, batch size, and model size on the choice of the weighting coefficient. We support our analysis with empirical experiments across language and vision benchmarks, and provide a guideline for choosing the optimal weight of the gradient coupling.

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Differentially Private Optimization on Large Model at Small Cost

Differentially private (DP) optimization is the standard paradigm to learn large neural networks that are accurate and privacy-preserving. The computational cost for DP deep learning, however, is notoriously heavy due to the per-sample gradient clipping. Existing DP implementations are 2-1000X more costly in time and space complexity than the standard (non-private) training. In this work, we develop a novel Book-Keeping (BK) technique that implements existing DP optimizers (thus achieving the same accuracy), with a substantial improvement on the computational cost. Specifically, BK enables DP training on large models and high dimensional data to be roughly as fast and memory-saving as the standard training, whereas previous DP algorithms can be inefficient or incapable of training due to memory error. The computational advantage of BK is supported by the complexity analysis as well as extensive experiments on vision and language tasks. Our implementation achieves state-of-the-art (SOTA) accuracy with very small extra cost: on GPT2 and at almost the same memory cost (<1% overhead), BK has 1.03X the time complexity of the standard training (0.83X training speed in practice), and 0.61X the time complexity of the most efficient DP implementation (1.36X training speed in practice). We open-source the codebase for the BK algorithm at the FastDP library (https://github.com/awslabs/fast-differential-privacy).

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DistTGL: Distributed Memory-Based Temporal Graph Neural Network Training

Memory-based Temporal Graph Neural Networks are powerful tools in dynamic graph representation learning and have demonstrated superior performance in many real-world applications. However, their node memory favors smaller batch sizes to capture more dependencies in graph events and needs to be maintained synchronously across all trainers. As a result, existing frameworks suffer from accuracy loss when scaling to multiple GPUs. Evenworse, the tremendous overhead to synchronize the node memory make it impractical to be deployed to distributed GPU clusters. In this work, we propose DistTGL -- an efficient and scalable solution to train memory-based TGNNs on distributed GPU clusters. DistTGL has three improvements over existing solutions: an enhanced TGNN model, a novel training algorithm, and an optimized system. In experiments, DistTGL achieves near-linear convergence speedup, outperforming state-of-the-art single-machine method by 14.5% in accuracy and 10.17x in training throughput.

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Better Context Makes Better Code Language Models: A Case Study on Function Call Argument Completion

Pretrained code language models have enabled great progress towards program synthesis. However, common approaches only consider in-file local context and thus miss information and constraints imposed by other parts of the codebase and its external dependencies. Existing code completion benchmarks also lack such context. To resolve these restrictions we curate a new dataset of permissively licensed Python packages that includes full projects and their dependencies and provide tools to extract non-local information with the help of program analyzers. We then focus on the task of function call argument completion which requires predicting the arguments to function calls. We show that existing code completion models do not yield good results on our completion task. To better solve this task, we query a program analyzer for information relevant to a given function call, and consider ways to provide the analyzer results to different code completion models during inference and training. Our experiments show that providing access to the function implementation and function usages greatly improves the argument completion performance. Our ablation study provides further insights on how different types of information available from the program analyzer and different ways of incorporating the information affect the model performance.

cs.SE↗

XTab: Cross-table Pretraining for Tabular Transformers

The success of self-supervised learning in computer vision and natural language processing has motivated pretraining methods on tabular data. However, most existing tabular self-supervised learning models fail to leverage information across multiple data tables and cannot generalize to new tables. In this work, we introduce XTab, a framework for cross-table pretraining of tabular transformers on datasets from various domains. We address the challenge of inconsistent column types and quantities among tables by utilizing independent featurizers and using federated learning to pretrain the shared component. Tested on 84 tabular prediction tasks from the OpenML-AutoML Benchmark (AMLB), we show that (1) XTab consistently boosts the generalizability, learning speed, and performance of multiple tabular transformers, (2) by pretraining FT-Transformer via XTab, we achieve superior performance than other state-of-the-art tabular deep learning models on various tasks such as regression, binary, and multiclass classification.

cs.LG↗

Train Your Own GNN Teacher: Graph-Aware Distillation on Textual Graphs

How can we learn effective node representations on textual graphs? Graph Neural Networks (GNNs) that use Language Models (LMs) to encode textual information of graphs achieve state-of-the-art performance in many node classification tasks. Yet, combining GNNs with LMs has not been widely explored for practical deployments due to its scalability issues. In this work, we tackle this challenge by developing a Graph-Aware Distillation framework (GRAD) to encode graph structures into an LM for graph-free, fast inference. Different from conventional knowledge distillation, GRAD jointly optimizes a GNN teacher and a graph-free student over the graph's nodes via a shared LM. This encourages the graph-free student to exploit graph information encoded by the GNN teacher while at the same time, enables the GNN teacher to better leverage textual information from unlabeled nodes. As a result, the teacher and the student models learn from each other to improve their overall performance. Experiments in eight node classification benchmarks in both transductive and inductive settings showcase GRAD's superiority over existing distillation approaches for textual graphs.

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STREET: A Multi-Task Structured Reasoning and Explanation Benchmark

We introduce STREET, a unified multi-task and multi-domain natural language reasoning and explanation benchmark. Unlike most existing question-answering (QA) datasets, we expect models to not only answer questions, but also produce step-by-step structured explanations describing how premises in the question are used to produce intermediate conclusions that can prove the correctness of a certain answer. We perform extensive evaluation with popular language models such as few-shot prompting GPT-3 and fine-tuned T5. We find that these models still lag behind human performance when producing such structured reasoning steps. We believe this work will provide a way for the community to better train and test systems on multi-step reasoning and explanations in natural language.

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OrthoReg: Improving Graph-regularized MLPs via Orthogonality Regularization

Graph Neural Networks (GNNs) are currently dominating in modeling graph-structure data, while their high reliance on graph structure for inference significantly impedes them from widespread applications. By contrast, Graph-regularized MLPs (GR-MLPs) implicitly inject the graph structure information into model weights, while their performance can hardly match that of GNNs in most tasks. This motivates us to study the causes of the limited performance of GR-MLPs. In this paper, we first demonstrate that node embeddings learned from conventional GR-MLPs suffer from dimensional collapse, a phenomenon in which the largest a few eigenvalues dominate the embedding space, through empirical observations and theoretical analysis. As a result, the expressive power of the learned node representations is constrained. We further propose OrthoReg, a novel GR-MLP model to mitigate the dimensional collapse issue. Through a soft regularization loss on the correlation matrix of node embeddings, OrthoReg explicitly encourages orthogonal node representations and thus can naturally avoid dimensionally collapsed representations. Experiments on traditional transductive semi-supervised classification tasks and inductive node classification for cold-start scenarios demonstrate its effectiveness and superiority.

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SMILE: Scaling Mixture-of-Experts with Efficient Bi-level Routing

The mixture of Expert (MoE) parallelism is a recent advancement that scales up the model size with constant computational cost. MoE selects different sets of parameters (i.e., experts) for each incoming token, resulting in a sparsely-activated model. Despite several successful applications of MoE, its training efficiency degrades significantly as the number of experts increases. The routing stage in MoE relies on the efficiency of the All2All communication collective, which suffers from network congestion and has poor scalability. To mitigate these issues, we introduce SMILE, which exploits heterogeneous network bandwidth and splits a single-step routing into bi-level routing. Our experimental results show that the proposed method obtains a 2.5x speedup over Switch Transformer in terms of pretraining throughput on the Colossal Clean Crawled Corpus without losing any convergence speed.

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MiCS: Near-linear Scaling for Training Gigantic Model on Public Cloud

Existing general purpose frameworks for gigantic model training, i.e., dense models with billions of parameters, cannot scale efficiently on cloud environment with various networking conditions due to large communication overheads. In this paper, we propose MiCS, which Minimizes the Communication Scale to bring down communication overhead. Specifically, by decreasing the number of participants in a communication collective, MiCS can utilize heterogeneous network bandwidth, reduce network traffic over slower links, reduce the latency of communications for maintaining high network bandwidth utilization, and amortize expensive global gradient synchronization overhead. Our evaluation on AWS shows that the system throughput of MiCS is up to 2.89$\times$ that of the state-of-the-art large model training systems. MiCS achieves near-linear scaling efficiency, which is up to 1.27$\times$ that of DeepSpeed. MiCS allows us to train a proprietary model with 100 billion parameters on 512 GPUs with 99.4% weak-scaling efficiency, and it is able to saturate over 54.5% theoretical computation power of each GPU on a public cloud with less GPU memory and more restricted networks than DGX-A100 clusters.

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ReaRev: Adaptive Reasoning for Question Answering over Knowledge Graphs

Knowledge Graph Question Answering (KGQA) involves retrieving entities as answers from a Knowledge Graph (KG) using natural language queries. The challenge is to learn to reason over question-relevant KG facts that traverse KG entities and lead to the question answers. To facilitate reasoning, the question is decoded into instructions, which are dense question representations used to guide the KG traversals. However, if the derived instructions do not exactly match the underlying KG information, they may lead to reasoning under irrelevant context. Our method, termed ReaRev, introduces a new way to KGQA reasoning with respect to both instruction decoding and execution. To improve instruction decoding, we perform reasoning in an adaptive manner, where KG-aware information is used to iteratively update the initial instructions. To improve instruction execution, we emulate breadth-first search (BFS) with graph neural networks (GNNs). The BFS strategy treats the instructions as a set and allows our method to decide on their execution order on the fly. Experimental results on three KGQA benchmarks demonstrate the ReaRev's effectiveness compared with previous state-of-the-art, especially when the KG is incomplete or when we tackle complex questions. Our code is publicly available at https://github.com/cmavro/ReaRev_KGQA.

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Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties

For decades, atomistic modeling has played a crucial role in predicting the behavior of materials in numerous fields ranging from nanotechnology to drug discovery. The most accurate methods in this domain are rooted in first-principles quantum mechanical calculations such as density functional theory (DFT). Because these methods have remained computationally prohibitive, practitioners have traditionally focused on defining physically motivated closed-form expressions known as empirical interatomic potentials (EIPs) that approximately model the interactions between atoms in materials. In recent years, neural network (NN)-based potentials trained on quantum mechanical (DFT-labeled) data have emerged as a more accurate alternative to conventional EIPs. However, the generalizability of these models relies heavily on the amount of labeled training data, which is often still insufficient to generate models suitable for general-purpose applications. In this paper, we propose two generic strategies that take advantage of unlabeled training instances to inject domain knowledge from conventional EIPs to NNs in order to increase their generalizability. The first strategy, based on weakly supervised learning, trains an auxiliary classifier on EIPs and selects the best-performing EIP to generate energies to supplement the ground-truth DFT energies in training the NN. The second strategy, based on transfer learning, first pretrains the NN on a large set of easily obtainable EIP energies, and then fine-tunes it on ground-truth DFT energies. Experimental results on three benchmark datasets demonstrate that the first strategy improves baseline NN performance by 5% to 51% while the second improves baseline performance by up to 55%. Combining them further boosts performance.

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Exploring the Role of Task Transferability in Large-Scale Multi-Task Learning

Recent work has found that multi-task training with a large number of diverse tasks can uniformly improve downstream performance on unseen target tasks. In contrast, literature on task transferability has established that the choice of intermediate tasks can heavily affect downstream task performance. In this work, we aim to disentangle the effect of scale and relatedness of tasks in multi-task representation learning. We find that, on average, increasing the scale of multi-task learning, in terms of the number of tasks, indeed results in better learned representations than smaller multi-task setups. However, if the target tasks are known ahead of time, then training on a smaller set of related tasks is competitive to the large-scale multi-task training at a reduced computational cost.

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TGL: A General Framework for Temporal GNN Training on Billion-Scale Graphs

Many real world graphs contain time domain information. Temporal Graph Neural Networks capture temporal information as well as structural and contextual information in the generated dynamic node embeddings. Researchers have shown that these embeddings achieve state-of-the-art performance in many different tasks. In this work, we propose TGL, a unified framework for large-scale offline Temporal Graph Neural Network training where users can compose various Temporal Graph Neural Networks with simple configuration files. TGL comprises five main components, a temporal sampler, a mailbox, a node memory module, a memory updater, and a message passing engine. We design a Temporal-CSR data structure and a parallel sampler to efficiently sample temporal neighbors to formtraining mini-batches. We propose a novel random chunk scheduling technique that mitigates the problem of obsolete node memory when training with a large batch size. To address the limitations of current TGNNs only being evaluated on small-scale datasets, we introduce two large-scale real-world datasets with 0.2 and 1.3 billion temporal edges. We evaluate the performance of TGL on four small-scale datasets with a single GPU and the two large datasets with multiple GPUs for both link prediction and node classification tasks. We compare TGL with the open-sourced code of five methods and show that TGL achieves similar or better accuracy with an average of 13x speedup. Our temporal parallel sampler achieves an average of 173x speedup on a multi-core CPU compared with the baselines. On a 4-GPU machine, TGL can train one epoch of more than one billion temporal edges within 1-10 hours. To the best of our knowledge, this is the first work that proposes a general framework for large-scale Temporal Graph Neural Networks training on multiple GPUs.

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