Education
How Transformers Learn Regular Language Recognition: A Theoretical Study on Training Dynamics and Implicit Bias
Huang, Ruiquan, Liang, Yingbin, Yang, Jing
Language recognition tasks are fundamental in natural language processing (NLP) and have been widely used to benchmark the performance of large language models (LLMs). These tasks also play a crucial role in explaining the working mechanisms of transformers. In this work, we focus on two representative tasks in the category of regular language recognition, known as `even pairs' and `parity check', the aim of which is to determine whether the occurrences of certain subsequences in a given sequence are even. Our goal is to explore how a one-layer transformer, consisting of an attention layer followed by a linear layer, learns to solve these tasks by theoretically analyzing its training dynamics under gradient descent. While even pairs can be solved directly by a one-layer transformer, parity check need to be solved by integrating Chain-of-Thought (CoT), either into the inference stage of a transformer well-trained for the even pairs task, or into the training of a one-layer transformer. For both problems, our analysis shows that the joint training of attention and linear layers exhibits two distinct phases. In the first phase, the attention layer grows rapidly, mapping data sequences into separable vectors. In the second phase, the attention layer becomes stable, while the linear layer grows logarithmically and approaches in direction to a max-margin hyperplane that correctly separates the attention layer outputs into positive and negative samples, and the loss decreases at a rate of $O(1/t)$. Our experiments validate those theoretical results.
Improved Learning via k-DTW: A Novel Dissimilarity Measure for Curves
Krivoลกija, Amer, Munteanu, Alexander, Nusser, Andrรฉ, Schwiegelshohn, Chris
This paper introduces $k$-Dynamic Time Warping ($k$-DTW), a novel dissimilarity measure for polygonal curves. $k$-DTW has stronger metric properties than Dynamic Time Warping (DTW) and is more robust to outliers than the Frรฉchet distance, which are the two gold standards of dissimilarity measures for polygonal curves. We show interesting properties of $k$-DTW and give an exact algorithm as well as a $(1+\varepsilon)$-approximation algorithm for $k$-DTW by a parametric search for the $k$-th largest matched distance. We prove the first dimension-free learning bounds for curves and further learning theoretic results. $k$-DTW not only admits smaller sample size than DTW for the problem of learning the median of curves, where some factors depending on the curves' complexity $m$ are replaced by $k$, but we also show a surprising separation on the associated Rademacher and Gaussian complexities: $k$-DTW admits strictly smaller bounds than DTW, by a factor $\tildeฮฉ(\sqrt{m})$ when $k\ll m$. We complement our theoretical findings with an experimental illustration of the benefits of using $k$-DTW for clustering and nearest neighbor classification.
ZeroGUI: Automating Online GUI Learning at Zero Human Cost
Yang, Chenyu, Su, Shiqian, Liu, Shi, Dong, Xuan, Yu, Yue, Su, Weijie, Wang, Xuehui, Liu, Zhaoyang, Zhu, Jinguo, Li, Hao, Wang, Wenhai, Qiao, Yu, Zhu, Xizhou, Dai, Jifeng
The rapid advancement of large Vision-Language Models (VLMs) has propelled the development of pure-vision-based GUI Agents, capable of perceiving and operating Graphical User Interfaces (GUI) to autonomously fulfill user instructions. However, existing approaches usually adopt an offline learning framework, which faces two core limitations: (1) heavy reliance on high-quality manual annotations for element grounding and action supervision, and (2) limited adaptability to dynamic and interactive environments. To address these limitations, we propose ZeroGUI, a scalable, online learning framework for automating GUI Agent training at Zero human cost. Specifically, ZeroGUI integrates (i) VLM-based automatic task generation to produce diverse training goals from the current environment state, (ii) VLM-based automatic reward estimation to assess task success without hand-crafted evaluation functions, and (iii) two-stage online reinforcement learning to continuously interact with and learn from GUI environments. Experiments on two advanced GUI Agents (UI-TARS and Aguvis) demonstrate that ZeroGUI significantly boosts performance across OSWorld and AndroidLab environments. The code is available at https://github.com/OpenGVLab/ZeroGUI.
Decomposing Elements of Problem Solving: What "Math" Does RL Teach?
Qin, Tian, Park, Core Francisco, Kwun, Mujin, Walsman, Aaron, Malach, Eran, Anand, Nikhil, Tanaka, Hidenori, Alvarez-Melis, David
Mathematical reasoning tasks have become prominent benchmarks for assessing the reasoning capabilities of LLMs, especially with reinforcement learning (RL) methods such as GRPO showing significant performance gains. However, accuracy metrics alone do not support fine-grained assessment of capabilities and fail to reveal which problem-solving skills have been internalized. To better understand these capabilities, we propose to decompose problem solving into fundamental capabilities: Plan (mapping questions to sequences of steps), Execute (correctly performing solution steps), and Verify (identifying the correctness of a solution). Empirically, we find that GRPO mainly enhances the execution skill-improving execution robustness on problems the model already knows how to solve-a phenomenon we call temperature distillation. More importantly, we show that RL-trained models struggle with fundamentally new problems, hitting a 'coverage wall' due to insufficient planning skills. To explore RL's impact more deeply, we construct a minimal, synthetic solution-tree navigation task as an analogy for mathematical problem-solving. This controlled setup replicates our empirical findings, confirming RL primarily boosts execution robustness. Importantly, in this setting, we identify conditions under which RL can potentially overcome the coverage wall through improved exploration and generalization to new solution paths. Our findings provide insights into the role of RL in enhancing LLM reasoning, expose key limitations, and suggest a path toward overcoming these barriers. Code is available at https://github.com/cfpark00/RL-Wall.
SP2RINT: Spatially-Decoupled Physics-Inspired Progressive Inverse Optimization for Scalable, PDE-Constrained Meta-Optical Neural Network Training
Ma, Pingchuan, Yin, Ziang, Jing, Qi, Gao, Zhengqi, Gangi, Nicholas, Zhang, Boyang, Huang, Tsung-Wei, Huang, Zhaoran, Boning, Duane S., Yao, Yu, Gu, Jiaqi
DONNs leverage light propagation for efficient analog AI and signal processing. Advances in nanophotonic fabrication and metasurface-based wavefront engineering have opened new pathways to realize high-capacity DONNs across various spectral regimes. Training such DONN systems to determine the metasurface structures remains challenging. Heuristic methods are fast but oversimplify metasurfaces modulation, often resulting in physically unrealizable designs and significant performance degradation. Simulation-in-the-loop optimizes implementable metasurfaces via adjoint methods, but is computationally prohibitive and unscalable. To address these limitations, we propose SP2RINT, a spatially decoupled, progressive training framework that formulates DONN training as a PDE-constrained learning problem. Metasurface responses are first relaxed into freely trainable transfer matrices with a banded structure. We then progressively enforce physical constraints by alternating between transfer matrix training and adjoint-based inverse design, avoiding per-iteration PDE solves while ensuring final physical realizability. To further reduce runtime, we introduce a physics-inspired, spatially decoupled inverse design strategy based on the natural locality of field interactions. This approach partitions the metasurface into independently solvable patches, enabling scalable and parallel inverse design with system-level calibration. Evaluated across diverse DONN training tasks, SP2RINT achieves digital-comparable accuracy while being 1825 times faster than simulation-in-the-loop approaches. By bridging the gap between abstract DONN models and implementable photonic hardware, SP2RINT enables scalable, high-performance training of physically realizable meta-optical neural systems. Our code is available at https://github.com/ScopeX-ASU/SP2RINT
Rethinking the Sampling Criteria in Reinforcement Learning for LLM Reasoning: A Competence-Difficulty Alignment Perspective
Kong, Deyang, Guo, Qi, Xi, Xiangyu, Wang, Wei, Wang, Jingang, Cai, Xunliang, Zhang, Shikun, Ye, Wei
Reinforcement learning exhibits potential in enhancing the reasoning abilities of large language models, yet it is hard to scale for the low sample efficiency during the rollout phase. Existing methods attempt to improve efficiency by scheduling problems based on problem difficulties. However, these approaches suffer from unstable and biased estimations of problem difficulty and fail to capture the alignment between model competence and problem difficulty in RL training, leading to suboptimal results. To tackle these limitations, this paper introduces $\textbf{C}$ompetence-$\textbf{D}$ifficulty $\textbf{A}$lignment $\textbf{S}$ampling ($\textbf{CDAS}$), which enables accurate and stable estimation of problem difficulties by aggregating historical performance discrepancies of problems. Then the model competence is quantified to adaptively select problems whose difficulty is in alignment with the model's current competence using a fixed-point system. Experimental results across a range of challenging mathematical benchmarks show that CDAS achieves great improvements in both accuracy and efficiency. CDAS attains the highest average accuracy against baselines and exhibits significant speed advantages compared to Dynamic Sampling, a competitive strategy in DAPO, which is 2.33 times slower than CDAS.
YESciEval: Robust LLM-as-a-Judge for Scientific Question Answering
D'Souza, Jennifer, Giglou, Hamed Babaei, Mรผnch, Quentin
Large Language Models (LLMs) drive scientific question-answering on modern search engines, yet their evaluation robustness remains underexplored. We introduce YESciEval, an open-source framework that combines fine-grained rubric-based assessment with reinforcement learning to mitigate optimism bias in LLM evaluators. We release multidisciplinary scienceQ&A datasets, including adversarial variants, with evaluation scores from multiple LLMs. Independent of proprietary models and human feedback, our approach enables scalable, cost-free evaluation. By advancing reliable LLM-as-a-judge models, this work supports AI alignment and fosters robust, transparent evaluation essential for scientific inquiry.
ATLAS: Learning to Optimally Memorize the Context at Test Time
Behrouz, Ali, Li, Zeman, Kacham, Praneeth, Daliri, Majid, Deng, Yuan, Zhong, Peilin, Razaviyayn, Meisam, Mirrokni, Vahab
Transformers have been established as the most popular backbones in sequence modeling, mainly due to their effectiveness in in-context retrieval tasks and the ability to learn at scale. Their quadratic memory and time complexity, however, bound their applicability in longer sequences and so has motivated researchers to explore effective alternative architectures such as modern recurrent neural networks (a.k.a long-term recurrent memory module). Despite their recent success in diverse downstream tasks, they struggle in tasks that requires long context understanding and extrapolation to longer sequences. We observe that these shortcomings come from three disjoint aspects in their design: (1) limited memory capacity that is bounded by the architecture of memory and feature mapping of the input; (2) online nature of update, i.e., optimizing the memory only with respect to the last input; and (3) less expressive management of their fixed-size memory. To enhance all these three aspects, we present ATLAS, a long-term memory module with high capacity that learns to memorize the context by optimizing the memory based on the current and past tokens, overcoming the online nature of long-term memory models. Building on this insight, we present a new family of Transformer-like architectures, called DeepTransformers, that are strict generalizations of the original Transformer architecture. Our experimental results on language modeling, common-sense reasoning, recall-intensive, and long-context understanding tasks show that ATLAS surpasses the performance of Transformers and recent linear recurrent models. ATLAS further improves the long context performance of Titans, achieving +80\% accuracy in 10M context length of BABILong benchmark.
ML-Agent: Reinforcing LLM Agents for Autonomous Machine Learning Engineering
Liu, Zexi, Chai, Jingyi, Zhu, Xinyu, Tang, Shuo, Ye, Rui, Zhang, Bo, Bai, Lei, Chen, Siheng
The emergence of large language model (LLM)-based agents has significantly advanced the development of autonomous machine learning (ML) engineering. However, most existing approaches rely heavily on manual prompt engineering, failing to adapt and optimize based on diverse experimental experiences. Focusing on this, for the first time, we explore the paradigm of learning-based agentic ML, where an LLM agent learns through interactive experimentation on ML tasks using online reinforcement learning (RL). To realize this, we propose a novel agentic ML training framework with three key components: (1) exploration-enriched fine-tuning, which enables LLM agents to generate diverse actions for enhanced RL exploration; (2) step-wise RL, which enables training on a single action step, accelerating experience collection and improving training efficiency; (3) an agentic ML-specific reward module, which unifies varied ML feedback signals into consistent rewards for RL optimization. Leveraging this framework, we train ML-Agent, driven by a 7B-sized Qwen-2.5 LLM for autonomous ML. Remarkably, despite being trained on merely 9 ML tasks, our 7B-sized ML-Agent outperforms the 671B-sized DeepSeek-R1 agent. Furthermore, it achieves continuous performance improvements and demonstrates exceptional cross-task generalization capabilities.
Global optimization of graph acquisition functions for neural architecture search
Xie, Yilin, Zhang, Shiqiang, Qing, Jixiang, Misener, Ruth, Tsay, Calvin
Graph Bayesian optimization (BO) has shown potential as a powerful and data-efficient tool for neural architecture search (NAS). Most existing graph BO works focus on developing graph surrogates models, i.e., metrics of networks and/or different kernels to quantify the similarity between networks. However, the acquisition optimization, as a discrete optimization task over graph structures, is not well studied due to the complexity of formulating the graph search space and acquisition functions. This paper presents explicit optimization formulations for graph input space including properties such as reachability and shortest paths, which are used later to formulate graph kernels and the acquisition function. We theoretically prove that the proposed encoding is an equivalent representation of the graph space and provide restrictions for the NAS domain with either node or edge labels. Numerical results over several NAS benchmarks show that our method efficiently finds the optimal architecture for most cases, highlighting its efficacy.