arXiv subjects

Kaiyue Wen

Publications and source records attributed to Kaiyue Wen.

32 records · Page 2Linked to original sources

arXiv2025

Gated Attention for Large Language Models: Non-linearity, Sparsity, and Attention-Sink-Free

Gating mechanisms have been widely utilized, from early models like LSTMs and Highway Networks to recent state space models, linear attention, and also softmax attention. Yet, existing literature rarely examines the specific effects of gating. In this work, we conduct comprehensive experiments to systematically investigate gating-augmented softmax attention variants. Specifically, we perform a comprehensive comparison over 30 variants of 15B Mixture-of-Experts (MoE) models and 1.7B dense models trained on a 3.5 trillion token dataset. Our central finding is that a simple modification-applying a head-specific sigmoid gate after the Scaled Dot-Product Attention (SDPA)-consistently improves performance. This modification also enhances training stability, tolerates larger learning rates, and improves scaling properties. By comparing various gating positions and computational variants, we attribute this effectiveness to two key factors: (1) introducing non-linearity upon the low-rank mapping in the softmax attention, and (2) applying query-dependent sparse gating scores to modulate the SDPA output. Notably, we find this sparse gating mechanism mitigates 'attention sink' and enhances long-context extrapolation performance, and we also release related $\href{https://github.com/qiuzh20/gated_attention}{codes}$ and $\href{https://huggingface.co/QwQZh/gated_attention}{models}$ to facilitate future research.

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arXiv2025

Residual permutation test for regression coefficient testing

We consider the problem of testing whether a single coefficient is equal to zero in linear models when the dimension of covariates $p$ can be up to a constant fraction of sample size $n$. In this regime, an important topic is to propose tests with finite-sample valid size control without requiring the noise to follow strong distributional assumptions. In this paper, we propose a new method, called residual permutation test (RPT), which is constructed by projecting the regression residuals onto the space orthogonal to the union of the column spaces of the original and permuted design matrices. RPT can be proved to achieve finite-population size validity under fixed design with just exchangeable noises, whenever $p < n / 2$. Moreover, RPT is shown to be asymptotically powerful for heavy tailed noises with bounded $(1+t)$-th order moment when the true coefficient is at least of order $n^{-t/(1+t)}$ for $t \in [0,1]$. We further proved that this signal size requirement is essentially rate-optimal in the minimax sense. Numerical studies confirm that RPT performs well in a wide range of simulation settings with normal and heavy-tailed noise distributions.

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arXiv2025

Overtrained Language Models Are Harder to Fine-Tune

Large language models are pre-trained on ever-growing token budgets under the assumption that better pre-training performance translates to improved downstream models. In this work, we challenge this assumption and show that extended pre-training can make models harder to fine-tune, leading to degraded final performance. We term this phenomenon catastrophic overtraining. For example, the instruction-tuned OLMo-1B model pre-trained on 3T tokens leads to over 2% worse performance on multiple standard LLM benchmarks than its 2.3T token counterpart. Through controlled experiments and theoretical analysis, we show that catastrophic overtraining arises from a systematic increase in the broad sensitivity of pre-trained parameters to modifications, including but not limited to fine-tuning. Our findings call for a critical reassessment of pre-training design that considers the downstream adaptability of the model.

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arXiv2025

From Sparse Dependence to Sparse Attention: Unveiling How Chain-of-Thought Enhances Transformer Sample Efficiency

Chain-of-thought (CoT) significantly enhances the reasoning performance of large language models (LLM). While current theoretical studies often attribute this improvement to increased expressiveness and computational capacity, we argue that expressiveness is not the primary limitation in the LLM regime, as current large models will fail on simple tasks. Using a parity-learning setup, we demonstrate that CoT can substantially improve sample efficiency even when the representation power is sufficient. Specifically, with CoT, a transformer can learn the function within polynomial samples, whereas without CoT, the required sample size is exponential. Additionally, we show that CoT simplifies the learning process by introducing sparse sequential dependencies among input tokens, and leads to a sparse and interpretable attention. We validate our theoretical analysis with both synthetic and real-world experiments, confirming that sparsity in attention layers is a key factor of the improvement induced by CoT.

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arXiv2025

Demons in the Detail: On Implementing Load Balancing Loss for Training Specialized Mixture-of-Expert Models

This paper revisits the implementation of $\textbf{L}$oad-$\textbf{b}$alancing $\textbf{L}$oss (LBL) when training Mixture-of-Experts (MoEs) models. Specifically, LBL for MoEs is defined as $N_E \sum_{i=1}^{N_E} f_i p_i$, where $N_E$ is the total number of experts, $f_i$ represents the frequency of expert $i$ being selected, and $p_i$ denotes the average gating score of the expert $i$. Existing MoE training frameworks usually employ the parallel training strategy so that $f_i$ and the LBL are calculated within a $\textbf{micro-batch}$ and then averaged across parallel groups. In essence, a micro-batch for training billion-scale LLMs normally contains very few sequences. So, the micro-batch LBL is almost at the sequence level, and the router is pushed to distribute the token evenly within each sequence. Under this strict constraint, even tokens from a domain-specific sequence ($\textit{e.g.}$, code) are uniformly routed to all experts, thereby inhibiting expert specialization. In this work, we propose calculating LBL using a $\textbf{global-batch}$ to loose this constraint. Because a global-batch contains much more diverse sequences than a micro-batch, which will encourage load balance at the corpus level. Specifically, we introduce an extra communication step to synchronize $f_i$ across micro-batches and then use it to calculate the LBL. Through experiments on training MoEs-based LLMs (up to $\textbf{42.8B}$ total parameters and $\textbf{400B}$ tokens), we surprisingly find that the global-batch LBL strategy yields excellent performance gains in both pre-training perplexity and downstream tasks. Our analysis reveals that the global-batch LBL also greatly improves the domain specialization of MoE experts.

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arXiv2024

RNNs are not Transformers (Yet): The Key Bottleneck on In-context Retrieval

This paper investigates the gap in representation powers of Recurrent Neural Networks (RNNs) and Transformers in the context of solving algorithmic problems. We focus on understanding whether RNNs, known for their memory efficiency in handling long sequences, can match the performance of Transformers, particularly when enhanced with Chain-of-Thought (CoT) prompting. Our theoretical analysis reveals that CoT improves RNNs but is insufficient to close the gap with Transformers. A key bottleneck lies in the inability of RNNs to perfectly retrieve information from the context, even with CoT: for several tasks that explicitly or implicitly require this capability, such as associative recall and determining if a graph is a tree, we prove that RNNs are not expressive enough to solve the tasks while Transformers can solve them with ease. Conversely, we prove that adopting techniques to enhance the in-context retrieval capability of RNNs, including Retrieval-Augmented Generation (RAG) and adding a single Transformer layer, can elevate RNNs to be capable of solving all polynomial-time solvable problems with CoT, hence closing the representation gap with Transformers.

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arXiv2024

Understanding Warmup-Stable-Decay Learning Rates: A River Valley Loss Landscape Perspective

Training language models currently requires pre-determining a fixed compute budget because the typical cosine learning rate schedule depends on the total number of steps. In contrast, the Warmup-Stable-Decay (WSD) schedule uses a constant learning rate to produce a main branch of iterates that can in principle continue indefinitely without a pre-specified compute budget. Then, given any compute budget, one can branch out from the main branch at a proper time with a rapidly decaying learning rate to produce a strong model. Empirically, WSD generates a non-traditional loss curve: the loss remains elevated during the stable phase but sharply declines during the decay phase. Towards explaining this phenomenon, we conjecture that pretraining loss exhibits a river valley landscape, which resembles a deep valley with a river at its bottom. Under this assumption, we show that during the stable phase, the iterate undergoes large oscillations due to the high learning rate, yet it progresses swiftly along the river. During the decay phase, the rapidly dropping learning rate minimizes the iterate's oscillations, moving it closer to the river and revealing true optimization progress. Therefore, the sustained high learning rate phase and fast decaying phase are responsible for progress in the river and the mountain directions respectively, and are both critical. Our analysis predicts phenomenons consistent with empirical observations and shows that this landscape can emerge from pretraining on a simple bi-gram dataset. Inspired by the theory, we introduce WSD-S, a variant of WSD that reuses previous checkpoints' decay phases and keeps only one main branch, where we resume from a decayed checkpoint. WSD-S empirically outperforms WSD and Cyclic-Cosine in obtaining multiple language model checkpoints across various compute budgets in a single run for parameters scaling from 0.1B to 1.2B.

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arXiv2023

Transformers are uninterpretable with myopic methods: a case study with bounded Dyck grammars

Interpretability methods aim to understand the algorithm implemented by a trained model (e.g., a Transofmer) by examining various aspects of the model, such as the weight matrices or the attention patterns. In this work, through a combination of theoretical results and carefully controlled experiments on synthetic data, we take a critical view of methods that exclusively focus on individual parts of the model, rather than consider the network as a whole. We consider a simple synthetic setup of learning a (bounded) Dyck language. Theoretically, we show that the set of models that (exactly or approximately) solve this task satisfy a structural characterization derived from ideas in formal languages (the pumping lemma). We use this characterization to show that the set of optima is qualitatively rich; in particular, the attention pattern of a single layer can be ``nearly randomized'', while preserving the functionality of the network. We also show via extensive experiments that these constructions are not merely a theoretical artifact: even after severely constraining the architecture of the model, vastly different solutions can be reached via standard training. Thus, interpretability claims based on inspecting individual heads or weight matrices in the Transformer can be misleading.

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arXiv2023

Sharpness Minimization Algorithms Do Not Only Minimize Sharpness To Achieve Better Generalization

Despite extensive studies, the underlying reason as to why overparameterized neural networks can generalize remains elusive. Existing theory shows that common stochastic optimizers prefer flatter minimizers of the training loss, and thus a natural potential explanation is that flatness implies generalization. This work critically examines this explanation. Through theoretical and empirical investigation, we identify the following three scenarios for two-layer ReLU networks: (1) flatness provably implies generalization; (2) there exist non-generalizing flattest models and sharpness minimization algorithms fail to generalize, and (3) perhaps most surprisingly, there exist non-generalizing flattest models, but sharpness minimization algorithms still generalize. Our results suggest that the relationship between sharpness and generalization subtly depends on the data distributions and the model architectures and sharpness minimization algorithms do not only minimize sharpness to achieve better generalization. This calls for the search for other explanations for the generalization of over-parameterized neural networks.

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arXiv2023

Benign Overfitting in Classification: Provably Counter Label Noise with Larger Models

Studies on benign overfitting provide insights for the success of overparameterized deep learning models. In this work, we examine whether overfitting is truly benign in real-world classification tasks. We start with the observation that a ResNet model overfits benignly on Cifar10 but not benignly on ImageNet. To understand why benign overfitting fails in the ImageNet experiment, we theoretically analyze benign overfitting under a more restrictive setup where the number of parameters is not significantly larger than the number of data points. Under this mild overparameterization setup, our analysis identifies a phase change: unlike in the previous heavy overparameterization settings, benign overfitting can now fail in the presence of label noise. Our analysis explains our empirical observations, and is validated by a set of control experiments with ResNets. Our work highlights the importance of understanding implicit bias in underfitting regimes as a future direction.

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arXiv2023

Practically Solving LPN in High Noise Regimes Faster Using Neural Networks

We conduct a systematic study of solving the learning parity with noise problem (LPN) using neural networks. Our main contribution is designing families of two-layer neural networks that practically outperform classical algorithms in high-noise, low-dimension regimes. We consider three settings where the numbers of LPN samples are abundant, very limited, and in between. In each setting we provide neural network models that solve LPN as fast as possible. For some settings we are also able to provide theories that explain the rationale of the design of our models. Comparing with the previous experiments of Esser, Kubler, and May (CRYPTO 2017), for dimension $n = 26$, noise rate $τ= 0.498$, the ''Guess-then-Gaussian-elimination'' algorithm takes 3.12 days on 64 CPU cores, whereas our neural network algorithm takes 66 minutes on 8 GPUs. Our algorithm can also be plugged into the hybrid algorithms for solving middle or large dimension LPN instances.

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arXiv2023

How Does Sharpness-Aware Minimization Minimize Sharpness?

Sharpness-Aware Minimization (SAM) is a highly effective regularization technique for improving the generalization of deep neural networks for various settings. However, the underlying working of SAM remains elusive because of various intriguing approximations in the theoretical characterizations. SAM intends to penalize a notion of sharpness of the model but implements a computationally efficient variant; moreover, a third notion of sharpness was used for proving generalization guarantees. The subtle differences in these notions of sharpness can indeed lead to significantly different empirical results. This paper rigorously nails down the exact sharpness notion that SAM regularizes and clarifies the underlying mechanism. We also show that the two steps of approximations in the original motivation of SAM individually lead to inaccurate local conclusions, but their combination accidentally reveals the correct effect, when full-batch gradients are applied. Furthermore, we also prove that the stochastic version of SAM in fact regularizes the third notion of sharpness mentioned above, which is most likely to be the preferred notion for practical performance. The key mechanism behind this intriguing phenomenon is the alignment between the gradient and the top eigenvector of Hessian when SAM is applied.

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arXiv2022

Finding Skill Neurons in Pre-trained Transformer-based Language Models

Transformer-based pre-trained language models have demonstrated superior performance on various natural language processing tasks. However, it remains unclear how the skills required to handle these tasks distribute among model parameters. In this paper, we find that after prompt tuning for specific tasks, the activations of some neurons within pre-trained Transformers are highly predictive of the task labels. We dub these neurons skill neurons and confirm they encode task-specific skills by finding that: (1) Skill neurons are crucial for handling tasks. Performances of pre-trained Transformers on a task significantly drop when corresponding skill neurons are perturbed. (2) Skill neurons are task-specific. Similar tasks tend to have similar distributions of skill neurons. Furthermore, we demonstrate the skill neurons are most likely generated in pre-training rather than fine-tuning by showing that the skill neurons found with prompt tuning are also crucial for other fine-tuning methods freezing neuron weights, such as the adapter-based tuning and BitFit. We also explore the applications of skill neurons, including accelerating Transformers with network pruning and building better transferability indicators. These findings may promote further research on understanding Transformers. The source code can be obtained from https://github.com/THU-KEG/Skill-Neuron.

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arXiv2022

On Transferability of Prompt Tuning for Natural Language Processing

Prompt tuning (PT) is a promising parameter-efficient method to utilize extremely large pre-trained language models (PLMs), which can achieve comparable performance to full-parameter fine-tuning by only tuning a few soft prompts. However, PT requires much more training time than fine-tuning. Intuitively, knowledge transfer can help to improve the efficiency. To explore whether we can improve PT via prompt transfer, we empirically investigate the transferability of soft prompts across different downstream tasks and PLMs in this work. We find that (1) in zero-shot setting, trained soft prompts can effectively transfer to similar tasks on the same PLM and also to other PLMs with a cross-model projector trained on similar tasks; (2) when used as initialization, trained soft prompts of similar tasks and projected prompts of other PLMs can significantly accelerate training and also improve the performance of PT. Moreover, to explore what decides prompt transferability, we investigate various transferability indicators and find that the overlapping rate of activated neurons strongly reflects the transferability, which suggests how the prompts stimulate PLMs is essential. Our findings show that prompt transfer is promising for improving PT, and further research shall focus more on prompts' stimulation to PLMs. The source code can be obtained from https://github.com/thunlp/Prompt-Transferability.

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