Hengrui Zhang

Yu Wang, Hengrui Zhang, Zhiwei Liu et al.

Aiming at exploiting the rich information in user behaviour sequences, sequential recommendation has been widely adopted in real-world recommender systems. However, current methods suffer from the following issues: 1) sparsity of user-item interactions, 2) uncertainty of sequential records, 3) long-tail items. In this paper, we propose to incorporate contrastive learning into the framework of Variational AutoEncoders to address these challenges simultaneously. Firstly, we introduce ContrastELBO, a novel training objective that extends the conventional single-view ELBO to two-view case and theoretically builds a connection between VAE and contrastive learning from a two-view perspective. Then we propose Contrastive Variational AutoEncoder (ContrastVAE in short), a two-branched VAE model with contrastive regularization as an embodiment of ContrastELBO for sequential recommendation. We further introduce two simple yet effective augmentation strategies named model augmentation and variational augmentation to create a second view of a sequence and thus making contrastive learning possible. Experiments on four benchmark datasets demonstrate the effectiveness of ContrastVAE and the proposed augmentation methods. Codes are available at https://github.com/YuWang-1024/ContrastVAE

Qitian Wu, Wentao Zhao, Chenxiao Yang et al.

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown promising performance on small graphs due to its global attention capable of capturing all-pair influence beyond neighboring nodes. Even so, existing approaches tend to inherit the spirit of Transformers in language and vision tasks, and embrace complicated models by stacking deep multi-head attentions. In this paper, we critically demonstrate that even using a one-layer attention can bring up surprisingly competitive performance across node property prediction benchmarks where node numbers range from thousand-level to billion-level. This encourages us to rethink the design philosophy for Transformers on large graphs, where the global attention is a computation overhead hindering the scalability. We frame the proposed scheme as Simplified Graph Transformers (SGFormer), which is empowered by a simple attention model that can efficiently propagate information among arbitrary nodes in one layer. SGFormer requires none of positional encodings, feature/graph pre-processing or augmented loss. Empirically, SGFormer successfully scales to the web-scale graph ogbn-papers100M and yields up to 141x inference acceleration over SOTA Transformers on medium-sized graphs. Beyond current results, we believe the proposed methodology alone enlightens a new technical path of independent interest for building Transformers on large graphs.

Hengrui Zhang, Shen Wang, Vassilis N. Ioannidis et al.

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.

Hengrui Zhang, Qitian Wu, Yu Wang et al.

Contrastive learning methods based on InfoNCE loss are popular in node representation learning tasks on graph-structured data. However, its reliance on data augmentation and its quadratic computational complexity might lead to inconsistency and inefficiency problems. To mitigate these limitations, in this paper, we introduce a simple yet effective contrastive model named Localized Graph Contrastive Learning (Local-GCL in short). Local-GCL consists of two key designs: 1) We fabricate the positive examples for each node directly using its first-order neighbors, which frees our method from the reliance on carefully-designed graph augmentations; 2) To improve the efficiency of contrastive learning on graphs, we devise a kernelized contrastive loss, which could be approximately computed in linear time and space complexity with respect to the graph size. We provide theoretical analysis to justify the effectiveness and rationality of the proposed methods. Experiments on various datasets with different scales and properties demonstrate that in spite of its simplicity, Local-GCL achieves quite competitive performance in self-supervised node representation learning tasks on graphs with various scales and properties.

Rohan Baskar Prabhakar, Hengrui Zhang, David Wentzlaff

Large Transformer networks are increasingly used in settings where low inference latency can improve the end-user experience and enable new applications. However, autoregressive inference is resource intensive and requires parallelism for efficiency. Parallelism introduces collective communication that is both expensive and represents a phase when hardware resources are underutilized. Towards mitigating this, Kraken is an evolution of the standard Transformer architecture that is designed to complement existing tensor parallelism schemes for efficient inference on multi-device systems. By introducing a fixed degree of intra-layer model parallelism, the architecture allows collective operations to be overlapped with compute, decreasing latency and increasing hardware utilization. When trained on OpenWebText, Kraken models reach a similar perplexity as standard Transformers while also preserving their language modeling capabilities when evaluated on the SuperGLUE benchmark. Importantly, when tested on multi-GPU systems using TensorRT-LLM engines, Kraken speeds up Time To First Token by a mean of 35.6% across a range of model sizes, context lengths, and degrees of tensor parallelism.

Hengrui Zhang, August Ning, Rohan Prabhakar et al.

The past year has witnessed the increasing popularity of Large Language Models (LLMs). Their unprecedented scale and associated high hardware cost have impeded their broader adoption, calling for efficient hardware designs. With the large hardware needed to simply run LLM inference, evaluating different hardware designs becomes a new bottleneck. This work introduces LLMCompass, a hardware evaluation framework for LLM inference workloads. LLMCompass is fast, accurate, versatile, and able to describe and evaluate different hardware designs. LLMCompass includes a mapper to automatically find performance-optimal mapping and scheduling. It also incorporates an area-based cost model to help architects reason about their design choices. Compared to real-world hardware, LLMCompass' estimated latency achieves an average 10.4% error rate across various operators with various input sizes and an average 4.1% error rate for LLM inference. With LLMCompass, simulating a 4-NVIDIA A100 GPU node running GPT-3 175B inference can be done within 16 minutes on commodity hardware, including 26,400 rounds of the mapper's parameter search. With the aid of LLMCompass, this work draws architectural implications and explores new cost-effective hardware designs. By reducing the compute capability or replacing High Bandwidth Memory (HBM) with traditional DRAM, these new designs can achieve as much as 3.41x improvement in performance/cost compared to an NVIDIA A100, making them promising choices for democratizing LLMs. LLMCompass is planned to be fully open-source.

Liancheng Fang, Aiwei Liu, Hengrui Zhang et al. · tsinghua

Large Language models (LLMs) have achieved encouraging results in tabular data generation. However, existing approaches require fine-tuning, which is computationally expensive. This paper explores an alternative: prompting a fixed LLM with in-context examples. We observe that using randomly selected in-context examples hampers the LLM's performance, resulting in sub-optimal generation quality. To address this, we propose a novel in-context learning framework: TabGen-ICL, to enhance the in-context learning ability of LLMs for tabular data generation. TabGen-ICL operates iteratively, retrieving a subset of real samples that represent the residual between currently generated samples and true data distributions. This approach serves two purposes: locally, it provides more effective in-context learning examples for the LLM in each iteration; globally, it progressively narrows the gap between generated and real data. Extensive experiments on five real-world tabular datasets demonstrate that TabGen-ICL significantly outperforms the random selection strategy. Specifically, it reduces the error rate by a margin of $3.5\%-42.2\%$ on fidelity metrics. We demonstrate for the first time that prompting a fixed LLM can yield high-quality synthetic tabular data. The code is provided in the \href{https://github.com/fangliancheng/TabGEN-ICL}{link}.

Hengrui Zhang, Qitian Wu, Junchi Yan et al.

We introduce a conceptually simple yet effective model for self-supervised representation learning with graph data. It follows the previous methods that generate two views of an input graph through data augmentation. However, unlike contrastive methods that focus on instance-level discrimination, we optimize an innovative feature-level objective inspired by classical Canonical Correlation Analysis. Compared with other works, our approach requires none of the parameterized mutual information estimator, additional projector, asymmetric structures, and most importantly, negative samples which can be costly. We show that the new objective essentially 1) aims at discarding augmentation-variant information by learning invariant representations, and 2) can prevent degenerated solutions by decorrelating features in different dimensions. Our theoretical analysis further provides an understanding for the new objective which can be equivalently seen as an instantiation of the Information Bottleneck Principle under the self-supervised setting. Despite its simplicity, our method performs competitively on seven public graph datasets. The code is available at: https://github.com/hengruizhang98/CCA-SSG.

Kay Liu, Hengrui Zhang, Ziqing Hu et al.

A fundamental challenge confronting supervised graph outlier detection algorithms is the prevalent problem of class imbalance, where the scarcity of outlier instances compared to normal instances often results in suboptimal performance. Recently, generative models, especially diffusion models, have demonstrated their efficacy in synthesizing high-fidelity images. Despite their extraordinary generation quality, their potential in data augmentation for supervised graph outlier detection remains largely underexplored. To bridge this gap, we introduce GODM, a novel data augmentation for mitigating class imbalance in supervised Graph Outlier detection via latent Diffusion Models. Extensive experiments conducted on multiple datasets substantiate the effectiveness and efficiency of GODM. The case study further demonstrated the generation quality of our synthetic data. To foster accessibility and reproducibility, we encapsulate GODM into a plug-and-play package and release it at PyPI: https://pypi.org/project/godm/.

Hengrui Zhang, Pratyush Patel, August Ning et al.

Large Language Models (LLMs) have gained popularity in recent years, driving up the demand for inference. LLM inference is composed of two phases with distinct characteristics: a compute-bound prefill phase followed by a memory-bound decode phase. To efficiently serve LLMs, prior work proposes prefill-decode disaggregation to run each phase on separate hardware. However, existing hardware poorly matches the different requirements of each phase. Current datacenter GPUs and TPUs follow a more-is-better design philosophy that maximizes compute and memory resources, causing memory bandwidth underutilization in the prefill phase and compute underutilization in the decode phase. Such underutilization directly translates into increased serving costs. This paper proposes SPAD (Specialized Prefill and Decode hardware), adopting a less-is-more methodology to design specialized chips tailored to the distinct characteristics of prefill and decode phases. The proposed Prefill Chips have larger systolic arrays and use cost-effective GDDR memory, whereas the proposed Decode Chips retain high memory bandwidth but reduce compute capacity. Compared to modeled H100s, simulations show that the proposed Prefill Chips deliver 8% higher prefill performance on average at 52% lower hardware cost, while the proposed Decode Chips achieve 97% of the decode performance with 28% lower TDP. End-to-end simulations on production traces show that SPAD reduces hardware cost by 19%-41% and TDP by 2%-17% compared to modeled baseline clusters while offering the same performance. Even when models and workloads change, SPAD can reallocate either type of chip to run either phase and still achieve 11%-43% lower hardware costs, demonstrating the longevity of the SPAD design.

Hengrui Zhang, Yulong Hui, Yihao Liu et al.

Predicates are foundational components in data analysis systems. However, modern workloads increasingly involve unstructured documents, which demands semantic understanding, beyond traditional value-based predicates. Given enormous documents and ad-hoc queries, while Large Language Models (LLMs) demonstrate powerful zero-shot capabilities, their high inference cost leads to unacceptable overhead. Therefore, we introduce \textsc{ScaleDoc}, a novel system that addresses this by decoupling predicate execution into an offline representation phase and an optimized online filtering phase. In the offline phase, \textsc{ScaleDoc} leverages a LLM to generate semantic representations for each document. Online, for each query, it trains a lightweight proxy model on these representations to filter the majority of documents, forwarding only the ambiguous cases to the LLM for final decision. Furthermore, \textsc{ScaleDoc} proposes two core innovations to achieve significant efficiency: (1) a contrastive-learning-based framework that trains the proxy model to generate reliable predicating decision scores; (2) an adaptive cascade mechanism that determines the effective filtering policy while meeting specific accuracy targets. Our evaluations across three datasets demonstrate that \textsc{ScaleDoc} achieves over a 2$\times$ end-to-end speedup and reduces expensive LLM invocations by up to 85\%, making large-scale semantic analysis practical and efficient.

Liangwei Yang, Hengrui Zhang, Zihe Song et al.

This paper answers a fundamental question in artificial neural network (ANN) design: We do not need to build ANNs layer-by-layer sequentially to guarantee the Directed Acyclic Graph (DAG) property. Drawing inspiration from biological intelligence (BI), where neurons form a complex, graph-structured network, we introduce the groundbreaking Cyclic Neural Networks (Cyclic NNs). It emulates the flexible and dynamic graph nature of biological neural systems, allowing neuron connections in any graph-like structure, including cycles. This offers greater adaptability compared to the DAG structure of current ANNs. We further develop the Graph Over Multi-layer Perceptron, which is the first detailed model based on this new design paradigm. Experimental validation of the Cyclic NN's advantages on widely tested datasets in most generalized cases, demonstrating its superiority over current BP training methods through the use of a forward-forward (FF) training algorithm. This research illustrates a totally new ANN design paradigm, which is a significant departure from current ANN designs, potentially leading to more biologically plausible AI systems.

Qitian Wu, Hengrui Zhang, Junchi Yan et al.

There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean data, and its formulation for graph-structured data is not clear and remains under-explored, given two-fold fundamental challenges: 1) the inter-connection among nodes in one graph, which induces non-IID generation of data points even under the same environment, and 2) the structural information in the input graph, which is also informative for prediction. In this paper, we formulate the OOD problem on graphs and develop a new invariant learning approach, Explore-to-Extrapolate Risk Minimization (EERM), that facilitates graph neural networks to leverage invariance principles for prediction. EERM resorts to multiple context explorers (specified as graph structure editers in our case) that are adversarially trained to maximize the variance of risks from multiple virtual environments. Such a design enables the model to extrapolate from a single observed environment which is the common case for node-level prediction. We prove the validity of our method by theoretically showing its guarantee of a valid OOD solution and further demonstrate its power on various real-world datasets for handling distribution shifts from artificial spurious features, cross-domain transfers and dynamic graph evolution.

Hengrui Zhang, Youfang Lin, Sheng Han et al.

Safety exploration can be regarded as a constrained Markov decision problem where the expected long-term cost is constrained. Previous off-policy algorithms convert the constrained optimization problem into the corresponding unconstrained dual problem by introducing the Lagrangian relaxation technique. However, the cost function of the above algorithms provides inaccurate estimations and causes the instability of the Lagrange multiplier learning. In this paper, we present a novel off-policy reinforcement learning algorithm called Conservative Distributional Maximum a Posteriori Policy Optimization (CDMPO). At first, to accurately judge whether the current situation satisfies the constraints, CDMPO adapts distributional reinforcement learning method to estimate the Q-function and C-function. Then, CDMPO uses a conservative value function loss to reduce the number of violations of constraints during the exploration process. In addition, we utilize Weighted Average Proportional Integral Derivative (WAPID) to update the Lagrange multiplier stably. Empirical results show that the proposed method has fewer violations of constraints in the early exploration process. The final test results also illustrate that our method has better risk control.

Hengrui Zhang, Zhongming Yu, Guohao Dai et al.

Graph Neural Networks (GNNs) have been widely used in various domains, and GNNs with sophisticated computational graph lead to higher latency and larger memory consumption. Optimizing the GNN computational graph suffers from: (1) Redundant neural operator computation. The same data are propagated through the graph structure to perform the same neural operation multiple times in GNNs, leading to redundant computation which accounts for 92.4% of total operators. (2) Inconsistent thread mapping. Efficient thread mapping schemes for vertex-centric and edge-centric operators are different. This inconsistency prohibits operator fusion to reduce memory IO. (3) Excessive intermediate data. For GNN training which is usually performed concurrently with inference, intermediate data must be stored for the backward pass, consuming 91.9% of the total memory requirement. To tackle these challenges, we propose following designs to optimize the GNN computational graph from a novel coordinated computation, IO, and memory perspective: (1) Propagation-postponed operator reorganization. We reorganize operators to perform neural operations before the propagation, thus the redundant computation is eliminated. (2) Unified thread mapping for fusion. We propose a unified thread mapping scheme for both vertex- and edge-centric operators to enable fusion and reduce IO. (3) Intermediate data recomputation. Intermediate data are recomputed during the backward pass to reduce the total memory consumption. Extensive experimental results on three typical GNN models show that, we achieve up to 2.75x end-to-end speedup, 6.89x less memory IO, and 7.73x less memory consumption over state-of-the-art frameworks.

Yukuo Cen, Zhenyu Hou, Yan Wang et al.

Graph neural networks (GNNs) have attracted tremendous attention from the graph learning community in recent years. It has been widely adopted in various real-world applications from diverse domains, such as social networks and biological graphs. The research and applications of graph deep learning present new challenges, including the sparse nature of graph data, complicated training of GNNs, and non-standard evaluation of graph tasks. To tackle the issues, we present CogDL, a comprehensive library for graph deep learning that allows researchers and practitioners to conduct experiments, compare methods, and build applications with ease and efficiency. In CogDL, we propose a unified design for the training and evaluation of GNN models for various graph tasks, making it unique among existing graph learning libraries. By utilizing this unified trainer, CogDL can optimize the GNN training loop with several training techniques, such as mixed precision training. Moreover, we develop efficient sparse operators for CogDL, enabling it to become the most competitive graph library for efficiency. Another important CogDL feature is its focus on ease of use with the aim of facilitating open and reproducible research of graph learning. We leverage CogDL to report and maintain benchmark results on fundamental graph tasks, which can be reproduced and directly used by the community.

Guyue Huang, Jingbo Hu, Yifan He et al.

With the down-scaling of CMOS technology, the design complexity of very large-scale integrated (VLSI) is increasing. Although the application of machine learning (ML) techniques in electronic design automation (EDA) can trace its history back to the 90s, the recent breakthrough of ML and the increasing complexity of EDA tasks have aroused more interests in incorporating ML to solve EDA tasks. In this paper, we present a comprehensive review of existing ML for EDA studies, organized following the EDA hierarchy.

Qitian Wu, Hengrui Zhang, Xiaofeng Gao et al.

Recommendation models can effectively estimate underlying user interests and predict one's future behaviors by factorizing an observed user-item rating matrix into products of two sets of latent factors. However, the user-specific embedding factors can only be learned in a transductive way, making it difficult to handle new users on-the-fly. In this paper, we propose an inductive collaborative filtering framework that contains two representation models. The first model follows conventional matrix factorization which factorizes a group of key users' rating matrix to obtain meta latents. The second model resorts to attention-based structure learning that estimates hidden relations from query to key users and learns to leverage meta latents to inductively compute embeddings for query users via neural message passing. Our model enables inductive representation learning for users and meanwhile guarantees equivalent representation capacity as matrix factorization. Experiments demonstrate that our model achieves promising results for recommendation on few-shot users with limited training ratings and new unseen users which are commonly encountered in open-world recommender systems.