Exploring the Potential of Large Language Models in Graph Generation

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain unexplored in the literature. Graph generation requires the LLM to generate graphs with given properties, which has valuable real-world applications such as drug discovery, while tends to be more challenging. In this paper, we propose LLM4GraphGen to explore the ability of LLMs for graph generation with systematical task designs and extensive experiments. Specifically, we propose several tasks tailored with comprehensive experiments to address key questions regarding LLMs' understanding of different graph structure rules, their ability to capture structural type distributions, and their utilization of domain knowledge for property-based graph generation. Our evaluations demonstrate that LLMs, particularly GPT-4, exhibit preliminary abilities in graph generation tasks, including rule-based and distribution-based generation. We also observe that popular prompting methods, such as few-shot and chain-of-thought prompting, do not consistently enhance performance. Besides, LLMs show potential in generating molecules with specific properties. These findings may serve as foundations for designing good LLMs based models for graph generation and provide valuable insights and further research.

FlexHB: a More Efficient and Flexible Framework for Hyperparameter Optimization

Given a Hyperparameter Optimization(HPO) problem, how to design an algorithm to find optimal configurations efficiently? Bayesian Optimization(BO) and the multi-fidelity BO methods employ surrogate models to sample configurations based on history evaluations. More recent studies obtain better performance by integrating BO with HyperBand(HB), which accelerates evaluation by early stopping mechanism. However, these methods ignore the advantage of a suitable evaluation scheme over the default HyperBand, and the capability of BO is still constrained by skewed evaluation results. In this paper, we propose FlexHB, a new method pushing multi-fidelity BO to the limit as well as re-designing a framework for early stopping with Successive Halving(SH). Comprehensive study on FlexHB shows that (1) our fine-grained fidelity method considerably enhances the efficiency of searching optimal configurations, (2) our FlexBand framework (self-adaptive allocation of SH brackets, and global ranking of configurations in both current and past SH procedures) grants the algorithm with more flexibility and improves the anytime performance. Our method achieves superior efficiency and outperforms other methods on various HPO tasks. Empirical results demonstrate that FlexHB can achieve up to 6.9X and 11.1X speedups over the state-of-the-art MFES-HB and BOHB respectively.

A Survey on Dropout Methods and Experimental Verification in Recommendation

Overfitting is a common problem in machine learning, which means the model too closely fits the training data while performing poorly in the test data. Among various methods of coping with overfitting, dropout is one of the representative ways. From randomly dropping neurons to dropping neural structures, dropout has achieved great success in improving model performances. Although various dropout methods have been designed and widely applied in past years, their effectiveness, application scenarios, and contributions have not been comprehensively summarized and empirically compared by far. It is the right time to make a comprehensive survey. In this paper, we systematically review previous dropout methods and classify them into three major categories according to the stage where dropout operation is performed. Specifically, more than seventy dropout methods published in top AI conferences or journals (e.g., TKDE, KDD, TheWebConf, SIGIR) are involved. The designed taxonomy is easy to understand and capable of including new dropout methods. Then, we further discuss their application scenarios, connections, and contributions. To verify the effectiveness of distinct dropout methods, extensive experiments are conducted on recommendation scenarios with abundant heterogeneous information. Finally, we propose some open problems and potential research directions about dropout that worth to be further explored.

Distributed Equivalent Substitution Training for Large-Scale Recommender Systems

We present Distributed Equivalent Substitution (DES) training, a novel distributed training framework for recommender systems with large-scale dynamic sparse features. Our framework achieves faster convergence with less communication overhead and better computing resource utilization. DES strategy splits a weights-rich operator into sub-operators with co-located weights and aggregates partial results with much smaller communication cost to form a computationally equivalent substitution to the original operator. We show that for different types of models that recommender systems use, we can always find computational equivalent substitutions and splitting strategies for their weights-rich operators with theoretical communication load reduced ranging from 72.26% to 99.77%. We also present an implementation of DES that outperforms state-of-the-art recommender systems. Experiments show that our framework achieves up to 83% communication savings compared to other recommender systems, and can bring up to 4.5x improvement on throughput for deep models.

Neural Machine Translation with Key-Value Memory-Augmented Attention

Although attention-based Neural Machine Translation (NMT) has achieved remarkable progress in recent years, it still suffers from issues of repeating and dropping translations. To alleviate these issues, we propose a novel key-value memory-augmented attention model for NMT, called KVMEMATT. Specifically, we maintain a timely updated keymemory to keep track of attention history and a fixed value-memory to store the representation of source sentence throughout the whole translation process. Via nontrivial transformations and iterative interactions between the two memories, the decoder focuses on more appropriate source word(s) for predicting the next target word at each decoding step, therefore can improve the adequacy of translations. Experimental results on Chinese=>English and WMT17 German<=>English translation tasks demonstrate the superiority of the proposed model.