Guoxia Wang

Guoxia Wang, Xiaomin Fang, Zhihua Wu et al. · baidu

Accurate protein structure prediction can significantly accelerate the development of life science. The accuracy of AlphaFold2, a frontier end-to-end structure prediction system, is already close to that of the experimental determination techniques. Due to the complex model architecture and large memory consumption, it requires lots of computational resources and time to implement the training and inference of AlphaFold2 from scratch. The cost of running the original AlphaFold2 is expensive for most individuals and institutions. Therefore, reducing this cost could accelerate the development of life science. We implement AlphaFold2 using PaddlePaddle, namely HelixFold, to improve training and inference speed and reduce memory consumption. The performance is improved by operator fusion, tensor fusion, and hybrid parallelism computation, while the memory is optimized through Recompute, BFloat16, and memory read/write in-place. Compared with the original AlphaFold2 (implemented with Jax) and OpenFold (implemented with PyTorch), HelixFold needs only 7.5 days to complete the full end-to-end training and only 5.3 days when using hybrid parallelism, while both AlphaFold2 and OpenFold take about 11 days. HelixFold saves 1x training time. We verified that HelixFold's accuracy could be on par with AlphaFold2 on the CASP14 and CAMEO datasets. HelixFold's code is available on GitHub for free download: https://github.com/PaddlePaddle/PaddleHelix/tree/dev/apps/protein_folding/helixfold, and we also provide stable web services on https://paddlehelix.baidu.com/app/drug/protein/forecast.

Yilong Chen, Guoxia Wang, Junyuan Shang et al.

Large Language Models (LLMs) have ignited an innovative surge of AI applications, marking a new era of exciting possibilities equipped with extended context windows. However, hosting these models is cost-prohibitive mainly due to the extensive memory consumption of KV Cache involving long-context modeling. Despite several works proposing to evict unnecessary tokens from the KV Cache, most of them rely on the biased local statistics of accumulated attention scores and report performance using unconvincing metric like perplexity on inadequate short-text evaluation. In this paper, we propose NACL, a general framework for long-context KV cache eviction that achieves more optimal and efficient eviction in a single operation during the encoding phase. Due to NACL's efficiency, we combine more accurate attention score statistics in PROXY TOKENS EVICTION with the diversified random eviction strategy of RANDOM EVICTION, aiming to alleviate the issue of attention bias and enhance the robustness in maintaining pivotal tokens for long-context modeling tasks. Notably, our method significantly improves the performance on short- and long-text tasks by 80% and 76% respectively, reducing KV Cache by up to 50% with over 95% performance maintenance. The code is available at https://github.com/PaddlePaddle/Research/tree/master/NLP/ACL2024-NACL.

Haifeng Wang, Hua Wu, Tian Wu et al.

In this report, we introduce ERNIE 5.0, a natively autoregressive foundation model desinged for unified multimodal understanding and generation across text, image, video, and audio. All modalities are trained from scratch under a unified next-group-of-tokens prediction objective, based on an ultra-sparse mixture-of-experts (MoE) architecture with modality-agnostic expert routing. To address practical challenges in large-scale deployment under diverse resource constraints, ERNIE 5.0 adopts a novel elastic training paradigm. Within a single pre-training run, the model learns a family of sub-models with varying depths, expert capacities, and routing sparsity, enabling flexible trade-offs among performance, model size, and inference latency in memory- or time-constrained scenarios. Moreover, we systematically address the challenges of scaling reinforcement learning to unified foundation models, thereby guaranteeing efficient and stable post-training under ultra-sparse MoE architectures and diverse multimodal settings. Extensive experiments demonstrate that ERNIE 5.0 achieves strong and balanced performance across multiple modalities. To the best of our knowledge, among publicly disclosed models, ERNIE 5.0 represents the first production-scale realization of a trillion-parameter unified autoregressive model that supports both multimodal understanding and generation. To facilitate further research, we present detailed visualizations of modality-agnostic expert routing in the unified model, alongside comprehensive empirical analysis of elastic training, aiming to offer profound insights to the community.

Zhiwei Hao, Jianyuan Guo, Li Shen et al.

Large language models (LLMs) have achieved impressive performance across various domains. However, the substantial hardware resources required for their training present a significant barrier to efficiency and scalability. To mitigate this challenge, low-precision training techniques have been widely adopted, leading to notable advancements in training efficiency. Despite these gains, low-precision training involves several components$\unicode{x2013}$such as weights, activations, and gradients$\unicode{x2013}$each of which can be represented in different numerical formats. The resulting diversity has created a fragmented landscape in low-precision training research, making it difficult for researchers to gain a unified overview of the field. This survey provides a comprehensive review of existing low-precision training methods. To systematically organize these approaches, we categorize them into three primary groups based on their underlying numerical formats, which is a key factor influencing hardware compatibility, computational efficiency, and ease of reference for readers. The categories are: (1) fixed-point and integer-based methods, (2) floating-point-based methods, and (3) customized format-based methods. Additionally, we discuss quantization-aware training approaches, which share key similarities with low-precision training during forward propagation. Finally, we highlight several promising research directions to advance this field. A collection of papers discussed in this survey is provided in https://github.com/Hao840/Awesome-Low-Precision-Training.

Yifei Cheng, Xianglin Yang, Guoxia Wang et al.

Sharpness-aware minimization (SAM) seeks the minima with a flat loss landscape to improve the generalization performance in machine learning tasks, including fine-tuning. However, its extra parameter perturbation step doubles the computation cost, which becomes the bottleneck of SAM in the practical implementation. In this work, we propose an approach SL-SAM to break this bottleneck by introducing the sparse technique to layers. Our key innovation is to frame the dynamic selection of layers for both the gradient ascent (perturbation) and descent (update) steps as a multi-armed bandit problem. At the beginning of each iteration, SL-SAM samples a part of the layers of the model according to the gradient norm to participate in the backpropagation of the following parameter perturbation and update steps, thereby reducing the computation complexity. We then provide the analysis to guarantee the convergence of SL-SAM. In the experiments of fine-tuning models in several tasks, SL-SAM achieves the performances comparable to the state-of-the-art baselines, including a \#1 rank on LLM fine-tuning. Meanwhile, SL-SAM significantly reduces the ratio of active parameters in backpropagation compared to vanilla SAM (SL-SAM activates 47\%, 22\% and 21\% parameters on the vision, moderate and large language model respectively while vanilla SAM always activates 100\%), verifying the efficiency of our proposed algorithm.

Yan Sun, Guoxia Wang, Jinle Zeng et al.

Pretraining large language models (LLMs) with next-token prediction has led to remarkable advances, yet the context-dependent nature of token embeddings in such models results in high intra-class variance and inter-class similarity, thus hindering the efficiency of representation learning. While similarity-based regularization has demonstrated benefit in supervised fine-tuning and classification tasks, its application and efficacy in large-scale LLM pretraining remains underexplored. In this work, we propose the SimReg, an embedding similarity regularization loss that explicitly encourages token representations with the same ground-truth label within each sequence to be more similar, while enforcing separation from different-label tokens via a contrastive loss. Our analysis reveals that this mechanism introduces gains by enlarging multi-classification margins, thereby enabling more efficient classification. Extensive experiments across dense and Mixture-of-Experts (MoE) architectures demonstrate that SimReg consistently accelerates training convergence by over 30% and improves average zero-shot downstream performance by over 1% across standard benchmarks. Further ablation studies and analyses offer practical insights into hyperparameter tuning and loss effectiveness.

Siran Liu, Guoxia Wang, Sa Wang et al.

The quadratic complexity of attention mechanisms poses a critical bottleneck for large language models processing long contexts. While dynamic sparse attention methods offer input-adaptive efficiency, they face fundamental trade-offs: requiring preprocessing, lacking global evaluation, violating query independence, or incurring high computational overhead. We present RRAttention, a novel dynamic sparse attention method that simultaneously achieves all desirable properties through a head \underline{r}ound-\underline{r}obin (RR) sampling strategy. By rotating query sampling positions across attention heads within each stride, RRAttention maintains query independence while enabling efficient global pattern discovery with stride-level aggregation. Our method reduces complexity from $O(L^2)$ to $O(L^2/S^2)$ and employs adaptive Top-$τ$ selection for optimal sparsity. Extensive experiments on natural language understanding (HELMET) and multimodal video comprehension (Video-MME) demonstrate that RRAttention recovers over 99\% of full attention performance while computing only half of the attention blocks, achieving 2.4$\times$ speedup at 128K context length and outperforming existing dynamic sparse attention methods.

Guoxia Wang, Shuai Li, Congliang Chen et al.

Large Language Models (LLMs) face increasing loss spikes during scaling, undermining training stability and final performance. While gradient clipping mitigates this issue, traditional global approaches poorly handle parameter-specific gradient variations and decaying gradient norms. We propose **AdaGC**, an adaptive gradient clipping framework that automatically adjusts local thresholds per parameter through exponential moving average of gradient norms. Theoretical analysis proves AdaGC's convergence under non-convex conditions. Extensive experiments demonstrate significant improvements: On Llama-2 7B/13B, AdaGC completely eliminates loss spikes while reducing WikiText perplexity by 3.5% (+0.14pp LAMBADA accuracy) for 7B and achieving 0.65% lower training loss with 1.47% reduced validation perplexity for 13B compared to global clipping. For CLIP ViT-Base, AdaGC converges 25% faster than StableAdamW with full spike elimination. The method shows universal effectiveness across architectures (Llama-2 7B/13B) and modalities (CLIP), with successful integration into diverse optimizers like AdamW and Lion. Source code will be released on GitHub.

Peng Wang, Shengchao Hu, Zerui Tao et al.

Weight averaging has become a standard technique for enhancing model performance. However, methods such as Stochastic Weight Averaging (SWA) and Latest Weight Averaging (LAWA) often require manually designed procedures to sample from the training trajectory, and the results depend heavily on hyperparameter tuning. To minimize human effort, this paper proposes a simple yet efficient algorithm called Selective Weight Averaging (SeWA), which adaptively selects checkpoints during the final stages of training for averaging. Based on SeWA, we show that only a few points are needed to achieve better generalization and faster convergence. Theoretically, solving the discrete subset selection problem is inherently challenging. To address this, we transform it into a continuous probabilistic optimization framework and employ the Gumbel-Softmax estimator to learn the non-differentiable mask for each checkpoint. Further, we theoretically derive the SeWA's stability-based generalization bounds, which are sharper than that of SGD under both convex and non-convex assumptions. Finally, solid extended experiments in various domains, including behavior cloning, image classification, and text classification, further validate the effectiveness of our approach.

Guoxia Wang, Xiaohui Liang, Frederick W. B. Li

Object occlusion boundary detection is a fundamental and crucial research problem in computer vision. This is challenging to solve as encountering the extreme boundary/non-boundary class imbalance during training an object occlusion boundary detector. In this paper, we propose to address this class imbalance by up-weighting the loss contribution of false negative and false positive examples with our novel Attention Loss function. We also propose a unified end-to-end multi-task deep object occlusion boundary detection network (DOOBNet) by sharing convolutional features to simultaneously predict object boundary and occlusion orientation. DOOBNet adopts an encoder-decoder structure with skip connection in order to automatically learn multi-scale and multi-level features. We significantly surpass the state-of-the-art on the PIOD dataset (ODS F-score of .702) and the BSDS ownership dataset (ODS F-score of .555), as well as improving the detecting speed to as 0.037s per image on the PIOD dataset.