Abstract:In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagrams, and complex tables or figures. Such information is difficult for general-purpose document parsing systems to directly convert into machine-readable data. This limits data production for organic chemistry knowledge base construction and for AI for Chemistry tasks such as reaction prediction, retrosynthesis, condition recommendation, molecular property prediction, and drug molecule design. This report introduces MinerU-Chem, a document parsing system for organic chemistry literature integrated into the MinerU online platform. Built on top of MinerU's general document parsing pipeline, MinerU-Chem adds five chemistry-specific modules: chemistry relevance filtering, molecular structure detection, molecule identifier extraction, molecular structure recognition, and reaction scheme parsing. Together, these modules convert organic-chemistry-related image regions in documents into a Molecule Summary List and a Reaction Summary List. For molecular structure recognition, MinerU-Chem uses CARBON (Complex Atomic Representation and Bonding Object Notation) as its core representation. CARBON enables recognition results to preserve both the visual layout of the original image and complex chemical semantics, while supporting the export of standard downstream formats such as MolFile and SMILES. On the SMILES-evaluable subset of MolRecBench-Wild (N=2,392), MinerU-Chem's molecular structure recognition module achieves a SMILES exact-match accuracy of 93.02%, outperforming the best evaluated comparison system, GPT-5.6-Sol (74.87%), by 18.15 percentage points. The system has been integrated into the MinerU online platform and is available at https://mineru.net/OpenSourceTools/Extractor .
Abstract:General-purpose large language models (LLMs) have demonstrated strong abilities in opendomain question answering, information extraction, and text generation. Agricultural applications, however, are domain-specific, region-dependent, time-sensitive, and safety-critical. Without data governance, expert evaluation, and evidence constraints, an agricultural assistant mayproduce unreliable advice on crop diseases, pesticide use, fertilization, or policy interpretation.To avoid presenting unverified simulated numbers as real experimental findings, this paper doesnot report any model-performance claims that have not been produced by an actual training runand expert evaluation. Instead, we propose AgriTune-R, a reproducible and auditable frameworkfor adapting general-purpose LLMs to agricultural tasks. The framework selects the publiclyverifiable Qwen3-8B model as the recommended base model and integrates agricultural datagovernance, instruction construction, LoRA/QLoRA parameter-efficient fine-tuning, retrievalaugmented generation, expert evaluation, and safety control for high-risk questions. The contributions are: (1) a structured workflow for agricultural LLM adaptation; (2) an evaluationprotocol for agricultural knowledge QA, pest and disease consultation, cultivation management,and policy explanation; (3) an expert-review rubric combining factuality, safety, evidence consistency, and uncertainty expression; and (4) a clear separation between protocol design andempirical conclusions, providing an executable baseline for future empirical studies.
Abstract:Zeroth-order (ZO) optimization is a memory-efficient alternative to backpropagation for fine-tuning large language models, but its deployment is limited by the high variance of gradient estimation. We propose GRZO, a Group-Relative Zeroth-Order optimizer that draws one pseudo-independent perturbation per mini-batch example and aggregates the per-example losses through group-relative normalization, raising the effective gradient-direction count from one to the batch size at no additional forward cost while preserving inference-level memory. We prove that GRZO is directionally unbiased with variance shrinking proportionally to the batch size, yielding a tighter nonconvex convergence bound than MeZO. Across RoBERTa-large, Llama3-8B, and OPT-13B over multiple tasks, GRZO improves average accuracy on Llama3-8B by $+3.0$ over MeZO at $23\%$ lower peak GPU memory; as a drop-in replacement for the MeZO core, it lifts sparse, low-rank, and quantized ZO variants by $+6.0$ on average.
Abstract:We study finite-sample generalization for a client-sampled distributed optimization scheme with matrix-valued parameters and orthogonalized momentum updates. The central quantity is the gap between the population and empirical objectives at the returned model when only a subset of clients participates in each round. Under independent heterogeneous client data, unequal local sample counts, and fixed aggregation weights, we derive a finite-round upper-tail guarantee from a coupled-neighbor stability recursion and a weighted concentration step. The bound keeps the client-selection counts through the amplification factor \(Y_i(\mathcal C)\); in the uniform full-participation full-batch regime, it yields \(\widetilde{\mathcal O}(n^{-1}+n^{-1/2})\) scaling whenever the horizon-dependent amplification terms are controlled. The matrix-orthogonalization rule is required to be Lipschitz along paired trajectories, a condition satisfied by regularized polar-type maps and normalized finite-step Newton--Schulz orthogonalizers. For the unregularized matrix sign, the same argument requires coupled spectral separation, whereas Gaussian smoothing gives a finite-round smoothed variant. A one-dimensional counterexample shows why a gap, smoothing, or regularity condition is necessary.
Abstract:Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on real-world images due to substantial visual and chemical complexity. We introduce MOSAIC, a dual-dimensional difficulty framework with 37 fine-grained labels that jointly characterize visual interference and chemical semantic challenges in molecular diagrams. Based on this framework, we construct MolRecBench-Wild, a benchmark of 5,029 structures from 820 recent chemistry papers, covering the full difficulty spectrum observed in real publications. To enable faithful semantic evaluation beyond SMILES and MolFile, we propose CARBON, a representation language capable of expressing valence variations, icon-based groups, and other non-standard chemical semantics. We further adopt a dual-track evaluation protocol supporting both CARBON and SMILES outputs for broad model compatibility. Comprehensive experiments over 18 OCSR-capable models reveal severe performance degradation on MolRecBench-Wild, exposing a large gap between previous patent benchmarks and real-world academic scenarios.
Abstract:Muon has emerged as a promising optimizer for large-scale foundation model pre-training by exploiting the matrix structure of neural network updates through iterative orthogonalization. However, its practical efficiency is limited by the need for multiple Newton--Schulz (NS) iterations per optimization step, which introduces non-trivial computation and communication overhead. We propose Muon$^2$, an extension of Muon that applies Adam-style adaptive second-moment preconditioning before orthogonalization. Our key insight is that the core challenge of polar approximation in Muon lies in the ill-conditioned momentum matrix, of which the spectrum is substantially improved by Muon$^2$, leading to faster convergence toward a practically sufficient orthogonalization. We further characterize the practical orthogonalization quality via directional alignment, under which Muon$^2$ demonstrates dramatic improvement over Muon at each polar step. Across GPT and LLaMA pre-training experiments from 60M to 1.3B parameters, Muon$^2$ consistently outperforms Muon and recent Muon variants while reducing NS iterations by 40\%. We further introduce Muon$^2$-F, a memory-efficient factorized variant that preserves most of the gains of Muon$^2$ with negligible memory overhead.
Abstract:Orthogonalized-update optimizers such as Muon improve training of matrix-valued parameters, but existing extensions mostly act either after orthogonalization by rescaling updates or before it with heavier whitening-based preconditioners. We introduce {\method}, a lightweight family of pre-orthogonalization equilibration schemes for Muon in three forms: two-sided row/column normalization (RC), row normalization (R), and column normalization (C). These variants rebalance the momentum matrix before finite-step Newton--Schulz using row/column squared-norm statistics and only $\mathcal{O}(m+n)$ auxiliary state. We show that finite-step orthogonalization is governed by input spectral properties, especially stable rank and condition number, and that row/column normalization is a zeroth-order whitening surrogate that removes marginal scale mismatch. For the hidden matrix weights targeted by {\method}, the row-normalized variant R is the natural default and preserves the $\widetilde{\mathcal{O}}(T^{-1/4})$ stationarity guarantee of Muon-type methods. In LLaMA2 pretraining on C4, the default R variant consistently outperforms Muon on 130M and 350M models, yielding faster convergence and lower validation perplexity.
Abstract:Vision Transformers (ViTs) achieve state-of-the-art performance but suffer from the $O(N^2)$ complexity of self-attention, making inference costly for high-resolution inputs. To address this bottleneck, token pruning has emerged as a critical technique to accelerate inference. Most existing methods rely on the [CLS] token to estimate patch importance. However, we argue that the [CLS] token can be unreliable in early layers where semantic representations are still immature. As a result, pruning in the early layer often leads to inaccurate importance estimation and unnecessary information loss. In this work, we propose a training-free token importance metric, namely Col-Ln, which is derived from Rényi entropy that enables the identification of informative tokens from the first layer of the network, thereby enabling more reliable pruning in token reduction. Extensive experiments on ViTs and Large Vision-Language Models (LVLMs) demonstrate that our approach consistently outperforms state-of-the-art pruning methods across diverse benchmarks.
Abstract:The Muon optimizer has demonstrated promising performance in pre-training large language models through gradient (or momentum) orthogonalization. In this work, we propose a simple yet effective enhancement to Muon, namely Muon+, which introduces an additional normalization step after orthogonalization. We demonstrate the effectiveness of Muon+ through extensive pre-training experiments across a wide range of model scales and architectures. Our evaluation includes GPT-style models ranging from 130M to 774M parameters and LLaMA-style models ranging from 60M to 1B parameters. We comprehensively evaluate the effectiveness of Muon+ in the compute-optimal training regime and further extend the token-to-parameter (T2P) ratio to an industrial level of $\approx 200$. Experimental results show that Muon+ provides a consistent boost on training and validation perplexity over Muon. We provide our code here: https://github.com/K1seki221/MuonPlus.
Abstract:The Muon optimizer has demonstrated strong empirical performance in pre-training large language models by performing matrix-level gradient (or momentum) orthogonalization in each layer independently. In this work, we propose TEON, a principled generalization of Muon that extends orthogonalization beyond individual layers by modeling the gradients of a neural network as a structured higher-order tensor. We present TEON's improved convergence guarantee over layer-wise Muon, and further develop a practical instantiation of TEON based on the theoretical analysis with corresponding ablation. We evaluate our approach on two widely adopted architectures: GPT-style models, ranging from 130M to 774M parameters, and LLaMA-style models, ranging from 60M to 1B parameters. Experimental results show that TEON consistently improves training and validation perplexity across model scales and exhibits strong robustness under various approximate SVD schemes.