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Guangming Tan

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Distributed, Parallel, and Cluster Computing Artificial Intelligence Data Structures and Algorithms Machine Learning Mathematical Software Networking and Internet Architecture

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preprint2026arXiv

CCL-D: A High-Precision Diagnostic System for Slow and Hang Anomalies in Large-Scale Model Training

As training scales grow, collective communication libraries (CCL) increasingly face anomalies arising from complex interactions among hardware, software, and environmental factors. These anomalies typically manifest as slow/hang communication, the most frequent and time-consuming category to diagnose. However, traditional diagnostic methods remain inaccurate and inefficient, frequently requiring hours or even days for root cause analysis. To address this, we propose CCL-D, a high-precision diagnostic system designed to detect and locate slow/hang anomalies in large-scale distributed training. CCL-D integrates a rank-level real-time probe with an intelligent decision analyzer. The probe measures cross-layer anomaly metrics using a lightweight distributed tracing framework to monitor communication traffic. The analyzer performs automated anomaly detection and root-cause location, precisely identifying the faulty GPU rank. Deployed on a 4,000-GPU cluster over one year, CCL-D achieved near-complete coverage of known slow/hang anomalies and pinpointed affected ranks within 6 minutes-substantially outperforming existing solutions.

preprint2026arXiv

Compact SO(3) Equivariant Atomistic Foundation Models via Structural Pruning

SO(3) equivariant graph neural networks have become the dominant paradigm for atomistic foundation models, achieving high accuracy and data efficiency by building rotational symmetry directly into the architecture. Yet the computational cost of their higher-order tensor operations creates a tough trade-off between model accuracy and inference efficiency. In this paper, we propose a structural pruning method for SO(3) equivariant atomistic foundation models to bridge this accuracy-efficiency gap. The pruning is applied along the channel and order dimensions, with each irreducible representation kept or removed as a complete block, thereby retaining SO(3) equivariance. Starting from a large checkpoint, the pruned model substantially reduces the inference cost while retaining higher accuracy than an independently trained small model. The pruned MACE-MP model outperforms the official from-scratch trained small model on 7 of 9 metrics on the Matbench Discovery leaderboard. In terms of efficiency, compressed MACE-MP and MACE-OFF models contain 1.5$\times$ to 4$\times$ fewer parameters and require 2.5$\times$ to 4$\times$ less pre-training compute than training a small model from scratch. For downstream applications, fine-tuning the pruned model reduces energy and force errors by 70.1% and 34.4% compared to training task-specific models from scratch across eight representative downstream datasets. We demonstrate that the method generalizes to other SO(3) equivariant architectures (SevenNet, eSCN) and can be combined with quantization and knowledge distillation for further gains.

preprint2026arXiv

KVServe: Service-Aware KV Cache Compression for Communication-Efficient Disaggregated LLM Serving

LLMs are widely adopted in production, pushing inference systems to their limits. Disaggregated LLM serving (e.g., PD separation and KV state disaggregation) improves scalability and cost efficiency, but it also turns KV into an explicit payload crossing network and storage boundaries, making KV a dominant end-to-end bottleneck. Existing KV compression are typically static runtime configurations, despite production service context varies over time in workload mix, bandwidth, and SLO/quality budgets. As a result, a fixed choice can be suboptimal or even increase latency. We present \emph{KVServe}, the first service-aware and adaptive KV communication compression framework for disaggregated LLM serving: KVServe (1) unifies KV compression into a modular strategy space with new components and cross-method recomposition; (2) introduces Bayesian Profiling Engine that efficiently searches this space and distills a 3D Pareto candidate set, reducing $50\times$ offline search overhead; and (3) deploys a Service-Aware Online Controller that combines an analytical latency model with a lightweight bandit to select profiles under constraints and correct offline-to-online mismatch. Integrated into vLLM and evaluated across datasets, models, GPUs and networks, KVServe achieves up to $9.13\times$ JCT speedup in PD-separated serving and up to $32.8\times$ TTFT reduction in KV-disaggregated serving.

preprint2022arXiv

Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms

High-performance computing, together with a neural network model trained from data generated with first-principles methods, has greatly boosted applications of \textit{ab initio} molecular dynamics in terms of spatial and temporal scales on modern supercomputers. Previous state-of-the-art can achieve $1-2$ nanoseconds molecular dynamics simulation per day for 100-million atoms on the entire Summit supercomputer. In this paper, we have significantly reduced the memory footprint and computational time by a comprehensive approach with both algorithmic and system innovations. The neural network model is compressed by model tabulation, kernel fusion, and redundancy removal. Then optimizations such as acceleration of customized kernel, tabulation of activation function, MPI+OpenMP parallelization are implemented on GPU and ARM architectures. Testing results of the copper system show that the optimized code can scale up to the entire machine of both Fugaku and Summit, and the corresponding system size can be extended by a factor of $134$ to an unprecedented $17$ billion atoms. The strong scaling of a $13.5$-million atom copper system shows that the time-to-solution can be 7 times faster, reaching $11.2$ nanoseconds per day. This work opens the door for unprecedentedly large-scale molecular dynamics simulations based on {\it ab initio} accuracy and can be potentially utilized in studying more realistic applications such as mechanical properties of metals, semiconductor devices, batteries, etc. The optimization techniques detailed in this paper also provide insight for relevant high-performance computing applications.

preprint2020arXiv

I/O Lower Bounds for Auto-tuning of Convolutions in CNNs

Convolution is the most time-consuming part in the computation of convolutional neural networks (CNNs), which have achieved great successes in numerous applications. Due to the complex data dependency and the increase in the amount of model samples, the convolution suffers from high overhead on data movement (i.e., memory access). This work provides comprehensive analysis and methodologies to minimize the communication for the convolution in CNNs. With an in-depth analysis of the recent I/O complexity theory under the red-blue game model, we develop a general I/O lower bound theory for a composite algorithm which consists of several different sub-computations. Based on the proposed theory, we establish the data movement lower bound results of two representative convolution algorithms in CNNs, namely the direct convolution and Winograd algorithm. Next, derived from I/O lower bound results, we design the near I/O-optimal dataflow strategies for the two main convolution algorithms by fully exploiting the data reuse. Furthermore, in order to push the envelope of performance of the near I/O-optimal dataflow strategies further, an aggressive design of auto-tuning based on I/O lower bounds, is proposed to search an optimal parameter configuration for the direct convolution and Winograd algorithm on GPU, such as the number of threads and the size of shared memory used in each thread block. Finally, experiment evaluation results on the direct convolution and Winograd algorithm show that our dataflow strategies with the auto-tuning approach can achieve about 3.32x performance speedup on average over cuDNN. In addition, compared with TVM, which represents the state-of-the-art technique for auto-tuning, not only our auto-tuning method based on I/O lower bounds can find the optimal parameter configuration faster, but also our solution has higher performance than the optimal solution provided by TVM.

preprint2016arXiv

Quadboost: A Scalable Concurrent Quadtree

Building concurrent spatial trees is more complicated than binary search trees since a space hierarchy should be preserved during modifications. We present a non-blocking quadtree-quadboost-that supports concurrent insert, remove, move, and contain operations. To increase its concurrency, we propose a decoupling approach that separates physical adjustment from logical removal within the remove operation. In addition, we design a continuous find mechanism to reduce its search cost. The move operation combines the searches for different keys together and modifies different positions with atomicity. The experimental results show that quadboost scales well on a multi-core system with 32 hardware threads. More than that, it outperforms existing concurrent trees in retrieving two-dimensional keys with up to 109% improvement when the number of threads is large. The move operation proved to perform better than the best-known algorithm, with up to 47%.

preprint2013arXiv

GRE: A Graph Runtime Engine for Large-Scale Distributed Graph-Parallel Applications

Large-scale distributed graph-parallel computing is challenging. On one hand, due to the irregular computation pattern and lack of locality, it is hard to express parallelism efficiently. On the other hand, due to the scale-free nature, real-world graphs are hard to partition in balance with low cut. To address these challenges, several graph-parallel frameworks including Pregel and GraphLab (PowerGraph) have been developed recently. In this paper, we present an alternative framework, Graph Runtime Engine (GRE). While retaining the vertex-centric programming model, GRE proposes two new abstractions: 1) a Scatter-Combine computation model based on active message to exploit massive fined-grained edge-level parallelism, and 2) a Agent-Graph data model based on vertex factorization to partition and represent directed graphs. GRE is implemented on commercial off-the-shelf multi-core cluster. We experimentally evaluate GRE with three benchmark programs (PageRank, Single Source Shortest Path and Connected Components) on real-world and synthetic graphs of millions billion of vertices. Compared to PowerGraph, GRE shows 2.5~17 times better performance on 8~16 machines (192 cores). Specifically, the PageRank in GRE is the fastest when comparing to counterparts of other frameworks (PowerGraph, Spark,Twister) reported in public literatures. Besides, GRE significantly optimizes memory usage so that it can process a large graph of 1 billion vertices and 17 billion edges on our cluster with totally 768GB memory, while PowerGraph can only process less than half of this graph scale.

preprint2012arXiv

Compression and Sieve: Reducing Communication in Parallel Breadth First Search on Distributed Memory Systems

For parallel breadth first search (BFS) algorithm on large-scale distributed memory systems, communication often costs significantly more than arithmetic and limits the scalability of the algorithm. In this paper we sufficiently reduce the communication cost in distributed BFS by compressing and sieving the messages. First, we leverage a bitmap compression algorithm to reduce the size of messages before communication. Second, we propose a novel distributed directory algorithm, cross directory, to sieve the redundant data in messages. Experiments on a 6,144-core SMP cluster show our algorithm outperforms the baseline implementation in Graph500 by 2.2 times, reduces its communication time by 79.0%, and achieves a performance rate of 12.1 GTEPS (billion edge visits per second)

preprint2012arXiv

SMAT: An Input Adaptive Sparse Matrix-Vector Multiplication Auto-Tuner

Sparse matrix vector multiplication (SpMV) is an important kernel in scientific and engineering applications. The previous optimizations are sparse matrix format specific and expose the choice of the best format to application programmers. In this work we develop an auto-tuning framework to bridge gap between the specific optimized kernels and their general-purpose use. We propose an SpMV auto-tuner (SMAT) that provides an unified interface based on compressed sparse row (CSR) to programmers by implicitly choosing the best format and the fastest implementation of any input sparse matrix in runtime. SMAT leverage a data mining model, which is formulated based on a set of performance parameters extracted from 2373 matrices in UF sparse matrix collection, to fast search the best combination. The experiments show that SMAT achieves the maximum performance of 75 GFLOP/s in single-precision and 33 GFLOP/s in double-precision on Intel, and 41 GFLOP/s in single-precision and 34 GFLOP/s in double-precision on AMD. Compared with the sparse functions in MKL library, SMAT runs faster by more than 3 times.

preprint2011arXiv

A New and Efficient Algorithm-Based Fault Tolerance Scheme for A Million Way Parallelism

Fault tolerance overhead of high performance computing (HPC) applications is becoming critical to the efficient utilization of HPC systems at large scale. HPC applications typically tolerate fail-stop failures by checkpointing. Another promising method is in the algorithm level, called algorithmic recovery. These two methods can achieve high efficiency when the system scale is not very large, but will both lose their effectiveness when systems approach the scale of Exaflops, where the number of processors including in system is expected to achieve one million. This paper develops a new and efficient algorithm-based fault tolerance scheme for HPC applications. When failure occurs during the execution, we do not stop to wait for the recovery of corrupted data, but replace them with the corresponding redundant data and continue the execution. A background accelerated recovery method is also proposed to rebuild redundancy to tolerate multiple times of failures during the execution. To demonstrate the feasibility of our new scheme, we have incorporated it to the High Performance Linpack. Theoretical analysis demonstrates that our new fault tolerance scheme can still be effective even when the system scale achieves the Exaflops. Experiment using SiCortex SC5832 verifies the feasibility of the scheme, and indicates that the advantage of our scheme can be observable even in a small scale.

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