Huaqing Zhang

Zihan Qiu, Zeyu Huang, Kaiyue Wen et al.

We investigate the functional role of emergent outliers in large language models, specifically attention sinks (a few tokens that consistently receive large attention logits) and residual sinks (a few fixed dimensions with persistently large activations across most tokens). We hypothesize that these outliers, in conjunction with the corresponding normalizations (\textit{e.g.}, softmax attention and RMSNorm), effectively rescale other non-outlier components. We term this phenomenon \textit{outlier-driven rescaling} and validate this hypothesis across different model architectures and training token counts. This view unifies the origin and mitigation of both sink types. Our main conclusions and observations include: (1) Outliers function jointly with normalization: removing normalization eliminates the corresponding outliers but degrades training stability and performance; directly clipping outliers while retaining normalization leads to degradation, indicating that outlier-driven rescaling contributes to training stability. (2) Outliers serve more as rescale factors rather than contributors, as the final contributions of attention and residual sinks are significantly smaller than those of non-outliers. (3) Outliers can be absorbed into learnable parameters or mitigated via explicit gated rescaling, leading to improved training performance (average gain of 2 points) and enhanced quantization robustness (1.2 points degradation under W4A4 quantization).

Huaqing Zhang, Lesi Chen, Jing Xu et al.

This paper studies simple bilevel problems, where a convex upper-level function is minimized over the optimal solutions of a convex lower-level problem. We first show the fundamental difficulty of simple bilevel problems, that the approximate optimal value of such problems is not obtainable by first-order zero-respecting algorithms. Then we follow recent works to pursue the weak approximate solutions. For this goal, we propose a novel method by reformulating them into functionally constrained problems. Our method achieves near-optimal rates for both smooth and nonsmooth problems. To the best of our knowledge, this is the first near-optimal algorithm that works under standard assumptions of smoothness or Lipschitz continuity for the objective functions.

Bohan Lyu, Yucheng Yang, Siqiao Huang et al.

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.

Huaqing Zhang, Kaiyue Wen, Tengyu Ma

Researchers build scaling laws to forecast the training performance of expensive large-scale runs with larger model size N and data size D. These laws assume that other training hyperparameters are optimally chosen, which can require significant effort and, in some cases, be impossible due to external hardware constraints. To improve predictability across a broader set of hyperparameters and enable simpler tuning at scale, we propose learning a \textit{Configuration-to-Performance Scaling Law} (CPL): a mapping from the \textit{full training configuration} to training performance. Because no simple functional form can express this mapping, we parameterize it with a large language model (LLM), and fit it with diverse open-source pretraining logs across multiple sources, yielding a \textit{Neural} Configuration-to-Performance Scaling Law (NCPL). NCPL accurately predicts how training configurations influence the final pretraining loss, achieving 20-40% lower prediction error than the configuration-agnostic Chinchilla law and generalizing to runs using up to 10 x more compute than any run in the training set. It further supports joint tuning of multiple hyperparameters with performance comparable to hyperparameter scaling law baselines. Finally, NCPL naturally and effectively extends to richer prediction targets such as loss-curve prediction.

Amirhesam Abedsoltan, Huaqing Zhang, Kaiyue Wen et al.

Large language models (LLMs) exhibit remarkable task generalization, solving tasks they were never explicitly trained on with only a few demonstrations. This raises a fundamental question: When can learning from a small set of tasks generalize to a large task family? In this paper, we investigate task generalization through the lens of autoregressive compositional structure, where each task is a composition of $T$ operations, and each operation is among a finite family of $D$ subtasks. This yields a total class of size $D^T$. We first show that generalization to all $D^T$ tasks is theoretically achievable by training on only $\widetilde{O}(D)$ tasks. Empirically, we demonstrate that Transformers achieve such exponential task generalization on sparse parity functions via In-context Learning (ICL) and chain-of-thought (CoT) reasoning. We further show generalization in arithmetic and translation, beyond parity functions.

Huanran Chen, Huaqing Zhang, Xiao Li et al.

Pretraining is the cornerstone of Large Language Models (LLMs), dominating the vast majority of computational budget and data to serve as the primary engine for their capabilities. During pretraining, LLMs acquire foundational knowledge from an unprecedentedly massive and diverse data sources, encompassing a vast array of domains such as general language, mathematics, code, and complex reasoning. In this work, we investigate an interesting geometric question regarding the converged state of pretraining: Does the model converge to a common minimizer across all data sources (e.g., \cref{fig:cwa_illustration:close}), or merely a minimizer of the summed loss (e.g., \cref{fig:cwa_illustration:distant})? We hypothesize that the geometric "closeness" of task-specific minima is intrinsically linked to downstream generalization. We reveal that standard optimizers (e.g., AdamW) often converge to points where task-specific minima are distant from each other. To address this, we propose the Nexus optimizer, which encourages the closeness of these minima by maximizing gradient similarity during optimization. Experiments across models ranging from 130M to 3B parameters, various data mixtures and hyperparameter schedules, show that Nexus \textit{significantly boosts downstream performance}, despite \textit{achieving the same pretraining loss} (see \cref{fig:demo:benchmark}). Notably, on the 3B model, Nexus reduces the out-of-distribution loss by 0.012 and yields up to a 15.0\% accuracy improvement on complex reasoning tasks (e.g., GSM8k). This finding challenges the reliance on pretraining loss as the sole proxy for model evaluation and demonstrates the importance of implicit biases in unlocking downstream generalization.

Jingchu Gai, Guanning Zeng, Huaqing Zhang et al.

It is widely recognized that reinforcement learning (RL) fine-tuning of large language models often leads to diversity collapse, where outputs lack variety. Prior work has proposed a range of heuristics to counteract this effect, but these methods are ad hoc: they frequently trade off correctness for diversity, their effectiveness varies across tasks, and in some cases they even contradict one another. In this work, we place these observations on a rigorous foundation. We first provide a formal proof of why RL fine-tuning exhibits diversity collapse via a selection and reinforcement bias. Next, we make a key observation that any reward modification to address diversity collapse only needs to be applied on the correct trajectories. Building directly on this analysis, we introduce a principled method -- differential smoothing -- that provably improves both correctness and diversity, outperforming vanilla RL as well as widely used entropy-based heuristics. Our theory precisely characterizes when existing heuristics help and why they fail, while showing that differential smoothing is universally superior. Extensive experiments with models from 1B to 7B parameters, across domains including CountDown and real-world mathematical reasoning, demonstrate consistent gains. Differential smoothing improves both Pass@1 and Pass@k, with up to 6.7% improvements on AIME24 dataset.

Huaqing Zhang, Xiaolin Cheng, Hui Zang et al.

An important linear algebra routine, GEneral Matrix Multiplication (GEMM), is a fundamental operator in deep learning. Compilers need to translate these routines into low-level code optimized for specific hardware. Compiler-level optimization of GEMM has significant performance impact on training and executing deep learning models. However, most deep learning frameworks rely on hardware-specific operator libraries in which GEMM optimization has been mostly achieved by manual tuning, which restricts the performance on different target hardware. In this paper, we propose two novel algorithms for GEMM optimization based on the TVM framework, a lightweight Greedy Best First Search (G-BFS) method based on heuristic search, and a Neighborhood Actor Advantage Critic (N-A2C) method based on reinforcement learning. Experimental results show significant performance improvement of the proposed methods, in both the optimality of the solution and the cost of search in terms of time and fraction of the search space explored. Specifically, the proposed methods achieve 24% and 40% savings in GEMM computation time over state-of-the-art XGBoost and RNN methods, respectively, while exploring only 0.1% of the search space. The proposed approaches have potential to be applied to other operator-level optimizations.

Dae Hoon Park, Chiu Man Ho, Yi Chang et al.

Regularization plays an important role in generalization of deep neural networks, which are often prone to overfitting with their numerous parameters. L1 and L2 regularizers are common regularization tools in machine learning with their simplicity and effectiveness. However, we observe that imposing strong L1 or L2 regularization with stochastic gradient descent on deep neural networks easily fails, which limits the generalization ability of the underlying neural networks. To understand this phenomenon, we first investigate how and why learning fails when strong regularization is imposed on deep neural networks. We then propose a novel method, gradient-coherent strong regularization, which imposes regularization only when the gradients are kept coherent in the presence of strong regularization. Experiments are performed with multiple deep architectures on three benchmark data sets for image recognition. Experimental results show that our proposed approach indeed endures strong regularization and significantly improves both accuracy and compression (up to 9.9x), which could not be achieved otherwise.