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Aug 26

BATQuant: Outlier-resilient MXFP4 Quantization via Learnable Block-wise Optimization

Microscaling floating-point (MXFP) formats have emerged as a promising standard for deploying Multi-modal Large Language Models (MLLMs) and Large Language Models (LLMs) on modern accelerator architectures. However, existing Post-Training Quantization (PTQ) methods, particularly rotation-based techniques designed for integer formats, suffer from severe performance collapse when applied to MXFP4. Recent studies attribute this failure to a fundamental format mismatch: global orthogonal rotations inadvertently transfer outlier energy across quantization blocks, inducing new outliers that disrupt local block-wise scaling, while often creating bimodal activation distributions that underutilize the limited quantization range. To address these issues, we propose BATQuant (Block-wise Affine Transformation), which restricts transformations to align with MXFP granularity to prevent cross-block outlier propagation, while relaxing orthogonality constraints to optimize distribution shaping. To ensure parameter efficiency, we introduce Global and Private Kronecker (GPK) decomposition to effectively reduces storage and runtime overhead and incorporate Block-wise Learnable Clipping to suppress residual outliers. Extensive experiments on both MLLMs and LLMs demonstrate that BATQuant establishes new state-of-the-art results under aggressive W4A4KV16 configurations, recovering up to 96.43% of full-precision performance on multimodal benchmarks and clearly outperforming existing methods across diverse tasks.

  • 7 authors
·
Mar 16

DuQuant++: Fine-grained Rotation Enhances Microscaling FP4 Quantization

The MXFP4 microscaling format, which partitions tensors into blocks of 32 elements sharing an E8M0 scaling factor, has emerged as a promising substrate for efficient LLM inference, backed by native hardware support on NVIDIA Blackwell Tensor Cores. However, activation outliers pose a unique challenge under this format: a single outlier inflates the shared block scale, compressing the effective dynamic range of the remaining elements and causing significant quantization error. Existing rotation-based remedies, including randomized Hadamard and learnable rotations, are data-agnostic and therefore unable to specifically target the channels where outliers concentrate. We propose DuQuant++, which adapts the outlier-aware fine-grained rotation of DuQuant to the MXFP4 format by aligning the rotation block size with the microscaling group size (B{=}32). Because each MXFP4 group possesses an independent scaling factor, the cross-block variance issue that necessitates dual rotations and a zigzag permutation in the original DuQuant becomes irrelevant, enabling DuQuant++ to replace the entire pipeline with a single outlier-aware rotation, which halves the online rotation cost while simultaneously smoothing the weight distribution. Extensive experiments on the LLaMA-3 family under MXFP4 W4A4 quantization show that DuQuant++ consistently achieves state-of-the-art performance. Our code is available at https://github.com/Hsu1023/DuQuant-v2.

  • 10 authors
·
Apr 20

MicroVerse: A Preliminary Exploration Toward a Micro-World Simulation

Recent advances in video generation have opened new avenues for macroscopic simulation of complex dynamic systems, but their application to microscopic phenomena remains largely unexplored. Microscale simulation holds great promise for biomedical applications such as drug discovery, organ-on-chip systems, and disease mechanism studies, while also showing potential in education and interactive visualization. In this work, we introduce MicroWorldBench, a multi-level rubric-based benchmark for microscale simulation tasks. MicroWorldBench enables systematic, rubric-based evaluation through 459 unique expert-annotated criteria spanning multiple microscale simulation task (e.g., organ-level processes, cellular dynamics, and subcellular molecular interactions) and evaluation dimensions (e.g., scientific fidelity, visual quality, instruction following). MicroWorldBench reveals that current SOTA video generation models fail in microscale simulation, showing violations of physical laws, temporal inconsistency, and misalignment with expert criteria. To address these limitations, we construct MicroSim-10K, a high-quality, expert-verified simulation dataset. Leveraging this dataset, we train MicroVerse, a video generation model tailored for microscale simulation. MicroVerse can accurately reproduce complex microscale mechanism. Our work first introduce the concept of Micro-World Simulation and present a proof of concept, paving the way for applications in biology, education, and scientific visualization. Our work demonstrates the potential of educational microscale simulations of biological mechanisms. Our data and code are publicly available at https://github.com/FreedomIntelligence/MicroVerse

FreedomIntelligence FreedomAI
·
Feb 28 2

Bridging the Gap Between Promise and Performance for Microscaling FP4 Quantization

The recent hardware-accelerated microscaling 4-bit floating-point formats such as MXFP4 and NVFP4, supported on NVIDIA and AMD GPUs, promise to revolutionize large language model (LLM) inference. Yet, their practical benefits remain unproven. We present the first comprehensive study of MXFP4 and NVFP4 for post-training quantization, revealing gaps between their promise and real-world performance. Our analysis shows that state-of-the-art methods struggle with FP4, due to two key issues: (1) NVFP4's small group size provably neutralizes traditional outlier mitigation techniques; (2) MXFP4's power-of-two scale quantization severely degrades accuracy due to high induced error. To bridge this gap, we introduce Micro-Rotated-GPTQ (MR-GPTQ), a variant of the classic GPTQ quantization algorithm that tailors the quantization process to FP4's unique properties, by using block-wise Hadamard transforms and format-specific optimizations. We support our proposal with a set of high-performance GPU kernels that enable the MR-GPTQ format with negligible overhead, by rotation fusion into the weights, and fast online computation of the activations. This leads to speedups vs. FP16 of up to 3.6x layer-wise, and 2.2x end-to-end on NVIDIA B200, and of 6x layer-wise and 4x end-to-end on RTX5090. Our extensive empirical evaluation demonstrates that MR-GPTQ matches or outperforms state-of-the-art accuracy, significantly boosting MXFP4, to the point where it nears that of NVFP4. We conclude that, while FP4 is not an automatic upgrade over INT4, format-specialized methods like MR-GPTQ can unlock a new frontier of accuracy-performance trade-offs.

INT v.s. FP: A Comprehensive Study of Fine-Grained Low-bit Quantization Formats

Modern AI hardware, such as Nvidia's Blackwell architecture, is increasingly embracing low-precision floating-point (FP) formats to handle the pervasive activation outliers in Large Language Models (LLMs). Despite this industry trend, a unified comparison of FP and integer (INT) quantization across varying granularities has been missing, leaving algorithm and hardware co-design without clear guidance. This paper fills that gap by systematically investigating the trade-offs between FP and INT formats. We reveal a critical performance crossover: while FP excels in coarse-grained quantization, the comparison at fine-grained (block-wise) levels is more nuanced. Our comprehensive comparison demonstrates that for popular 8-bit fine-grained formats (e.g., MX with block size 32), MXINT8 is superior to its FP counterpart in both algorithmic accuracy and hardware efficiency. However, for 4-bit formats, FP (e.g., MXFP4, NVFP4) often holds an accuracy advantage , though we show that NVINT4 can surpass NVFP4 when outlier-mitigation techniques like Hadamard rotation are applied. We also introduce a symmetric clipping method that resolves gradient bias in fine-grained low-bit INT training, enabling nearly lossless performance for MXINT8 training. These findings challenge the current hardware trajectory, demonstrating that a one-size-fits-all FP approach is suboptimal and advocating that fine-grained INT formats, particularly MXINT8, offer a better balance of accuracy, power, and efficiency for future AI accelerators.

ByteDance-Seed ByteDance Seed
·
Oct 29, 2025 6

Scaling Data Difficulty: Improving Coding Models via Reinforcement Learning on Fresh and Challenging Problems

Training next-generation code generation models requires high-quality datasets, yet existing datasets face difficulty imbalance, format inconsistency, and data quality problems. We address these challenges through systematic data processing and difficulty scaling. We introduce a four-stage Data Processing Framework encompassing collection, processing, filtering, and verification, incorporating Automatic Difficulty Filtering via an LLM-based predict-calibrate-select framework that leverages multi-dimensional difficulty metrics across five weighted dimensions to retain challenging problems while removing simplistic ones. The resulting MicroCoder dataset comprises tens of thousands of curated real competitive programming problems from diverse platforms, emphasizing recency and difficulty. Evaluations on strictly unseen LiveCodeBench demonstrate that MicroCoder achieves 3x larger performance gains within 300 training steps compared to widely-used baseline datasets of comparable size, with consistent advantages under both GRPO and its variant training algorithms. The MicroCoder dataset delivers obvious improvements on medium and hard problems across different model sizes, achieving up to 17.2% relative gains in overall performance where model capabilities are most stretched. These results validate that difficulty-aware data curation improves model performance on challenging tasks, providing multiple insights for dataset creation in code generation.

Benchmark Dataset for Catalysis on 2D MXenes

Merging first-principles calculations with machine learning (ML), we aim to accelerate the exploration of catalytic behaviour in novel materials. We focus on two-dimensional (2D) Ti_2CT_y MXenes, whose versatile surface chemistry makes them particularly compelling candidates for catalysis. Resolving their composition and structure under realistic conditions exceeds the reach of standard density functional theory (DFT) due to computational cost. To address this challenge, we generate a comprehensive dataset of 50,000 DFT calculations for training and 10,000 for testing, encompassing both Ti_2CT_y MXene configurations and molecular systems, along with an additional test dataset with 1000 genuinely new, larger systems to investigate how well models generalise. We train and validate widely used and competitive machine learning interatomic potential (MLIP) models, including EquiformerV2, MACE, MatRIS, and UPET, that accurately predict atomic forces and formation energies -- quantities that DFT must repeatedly compute for structural and catalytic investigations -- for these 2D materials. This combined DFT-ML framework achieves computational acceleration on the order of approximately 1-4 cdot 10^3 (on a CPU) while maintaining desired-level accuracy (approximately +/- 10 meV/A for forces and approximately +/- 1 meV for per-atom energies), paving the way for more efficient investigations of MXene catalytic behaviour. Moreover, we perform an extensive qualitative evaluation of the trained models, showcasing the importance of comprehensive simulation-based comparison beyond benchmark metrics. The dataset and the trained models with the code are available at https://huggingface.co/datasets/CatalystAnonymous/catalyst_mxenes.

  • 7 authors
·
May 29

HiFloat4 Format for Language Model Pre-training on Ascend NPUs

Large foundation models have become central to modern machine learning, with performance scaling predictably with model size and data. However, training and deploying such models incur substantial computational and memory costs, motivating the development of low-precision training techniques. Recent work has demonstrated that 4-bit floating-point (FP4) formats--such as MXFP4 and NVFP4--can be successfully applied to linear GEMM operations in large language models (LLMs), achieving up to 4x improvements in compute throughput and memory efficiency compared to higher-precision baselines. In this work, we investigate the recently proposed HiFloat4 FP4 format for Huawei Ascend NPUs and systematically compare it with MXFP4 in large-scale training settings. All experiments are conducted on Ascend NPU clusters, with linear and expert GEMM operations performed entirely in FP4 precision. We evaluate both dense architectures (e.g., Pangu and LLaMA-style models) and mixture-of-experts (MoE) models, where both standard linear layers and expert-specific GEMMs operate in FP4. Furthermore, we explore stabilization techniques tailored to FP4 training that significantly reduce numerical degradation, maintaining relative error within 1% of full-precision baselines while preserving the efficiency benefits of 4-bit computation. Our results provide a comprehensive empirical study of FP4 training on NPUs and highlight the practical trade-offs between FP4 formats in large-scale dense and MoE models.

  • 25 authors
·
Apr 8

Block Rotation is All You Need for MXFP4 Quantization

Large language models (LLMs) have achieved remarkable success, but their rapidly growing scale imposes prohibitive costs in memory, computation, and energy. Post-training quantization (PTQ) is a promising solution for efficient deployment, yet achieving accurate W4A4 quantization remains an open challenge. While most existing methods are designed for INT4 formats, the emergence of MXFP4 -- a new FP4 format with various hardware support (NVIDIA, AMD, Intel)-- raises questions about the applicability of current techniques. In this work, we establish a comprehensive benchmark of PTQ methods under the MXFP4 format. Through systematic evaluation, we find that methods like GPTQ consistently deliver strong performance, whereas rotation-based approaches, which are almost used by all state-of-the-art approaches, suffer from severe incompatibility with MXFP4. We further provide the first in-depth analysis of this conflict, tracing its root to a fundamental mismatch between MXFP4's PoT (power-of-two) block scaling and the redistribution of outlier energy via global rotation. Building on this insight, we propose a simple yet effective block rotation strategy that adapts rotation-based methods to MXFP4, leading to substantial accuracy improvements across diverse LLMs. Our findings not only offer clear guidance for practitioners but also set a foundation for advancing PTQ research under emerging low-precision formats.

  • 6 authors
·
Nov 5, 2025

Diagnosing FP4 inference: a layer-wise and block-wise sensitivity analysis of NVFP4 and MXFP4

Quantization addresses the high resource demand for large language models (LLMs) by alleviating memory pressure and bandwidth congestion and providing significantly scaled compute power with a tolerable impact on accuracy. Four-bit floating point (FP4), the lowest-precision format that preserves essential numerical properties such as exponent and sign, has begun to be adopted in cutting-edge architectures, including Blackwell and AMD CDNA, to support LLM quantization and reduce deployment costs. Although aggressive quantization can yield efficiency gains, the quantization sensitivity of within-transformer layers and whether these sensitivities generalize across existing FP4 formats and model scales remain underexplored. To elucidate quantization sensitivity, this study conducts a systematic analysis of two FP4 formats, MXFP4 and NVFP4, across three Qwen2.5 model scales (0.5B, 7B, and 14B), using controlled component-wise and block-wise isolation methodologies. We observe that MLP up- and down-projection layers consistently dominate in terms of sensitivity, while gate and attention projections are moderately and substantially less sensitive to FP4 quantization, respectively. We further find that sensitivity does not universally localize to the final blocks, but early blocks can be highly sensitive, particularly under MXFP4. Our results provide a diagnostic characterization of the inference behavior of FP4 across components, depths, and FP4 formats.

  • 3 authors
·
Mar 4

Mixed-Precision Quantization for Language Models: Techniques and Prospects

The rapid scaling of language models (LMs) has resulted in unprecedented computational, memory, and energy requirements, making their training and deployment increasingly unsustainable. Quantization has emerged as an essential compression technique to reduce model size, alleviate memory bottlenecks, and accelerate inference. However, while uniform low-bit quantization (e.g., INT8, INT4) provides significant efficiency gains, it can degrade accuracy in sensitive components of transformer-based LMs. Mixed-precision quantization offers a promising alternative by selectively allocating precision across layers or within tensors to balance efficiency and accuracy. This survey provides a comprehensive overview of Mixed-Precision quantization frameworks for LMs (MXPLMs). We first review quantization fundamentals, including uniform and non-uniform quantizers, quantization granularity, and methods widely used in post-training quantization. We then categorize and compare recent MXPLM frameworks according to their bit allocation strategies and precision configurations across weights, activations, and key-value caches. A comparative analysis highlights differences in perplexity, zero-shot task performance, and deployment trade-offs. Furthermore, we contrast MXPLMs with earlier mixed-precision quantization methods for deep neural networks, identifying strategies that transfer and those that face challenges in the LM setting. Finally, we summarize open issues and future directions, including hardware-aware design, activation quantization, and scalable optimization methods for billion-parameter models. By consolidating recent advances, this work serves as a reference for understanding the current landscape and research prospects of mixed-precision quantization for large-scale language models.

  • 8 authors
·
Oct 19, 2025

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

Machine learning-based interatomic potentials and force fields depend critically on accurate atomic structures, yet such data are scarce due to the limited availability of experimentally resolved crystals. Although atomic-resolution electron microscopy offers a potential source of structural data, converting these images into simulation-ready formats remains labor-intensive and error-prone, creating a bottleneck for model training and validation. We introduce AutoMat, an end-to-end, agent-assisted pipeline that automatically transforms scanning transmission electron microscopy (STEM) images into atomic crystal structures and predicts their physical properties. AutoMat combines pattern-adaptive denoising, physics-guided template retrieval, symmetry-aware atomic reconstruction, fast relaxation and property prediction via MatterSim, and coordinated orchestration across all stages. We propose the first dedicated STEM2Mat-Bench for this task and evaluate performance using lattice RMSD, formation energy MAE, and structure-matching success rate. By orchestrating external tool calls, AutoMat enables a text-only LLM to outperform vision-language models in this domain, achieving closed-loop reasoning throughout the pipeline. In large-scale experiments over 450 structure samples, AutoMat substantially outperforms existing multimodal large language models and tools. These results validate both AutoMat and STEM2Mat-Bench, marking a key step toward bridging microscopy and atomistic simulation in materials science.The code and dataset are publicly available at https://github.com/yyt-2378/AutoMat and https://huggingface.co/datasets/yaotianvector/STEM2Mat.

  • 17 authors
·
May 18, 2025 2

Does Table Source Matter? Benchmarking and Improving Multimodal Scientific Table Understanding and Reasoning

Recent large language models (LLMs) have advanced table understanding capabilities but rely on converting tables into text sequences. While multimodal large language models (MLLMs) enable direct visual processing, they face limitations in handling scientific tables due to fixed input image resolutions and insufficient numerical reasoning capabilities. We present a comprehensive framework for multimodal scientific table understanding and reasoning with dynamic input image resolutions. Our framework consists of three key components: (1) MMSci-Pre, a domain-specific table structure learning dataset of 52K scientific table structure recognition samples, (2) MMSci-Ins, an instruction tuning dataset with 12K samples across three table-based tasks, and (3) MMSci-Eval, a benchmark with 3,114 testing samples specifically designed to evaluate numerical reasoning capabilities. Extensive experiments demonstrate that our domain-specific approach with 52K scientific table images achieves superior performance compared to 150K general-domain tables, highlighting the importance of data quality over quantity. Our proposed table-based MLLMs with dynamic input resolutions show significant improvements in both general table understanding and numerical reasoning capabilities, with strong generalisation to held-out datasets. Our code and data are publicly available at https://github.com/Bernard-Yang/MMSci_Table.

  • 5 authors
·
Jan 22, 2025

UniEM-3M: A Universal Electron Micrograph Dataset for Microstructural Segmentation and Generation

Quantitative microstructural characterization is fundamental to materials science, where electron micrograph (EM) provides indispensable high-resolution insights. However, progress in deep learning-based EM characterization has been hampered by the scarcity of large-scale, diverse, and expert-annotated datasets, due to acquisition costs, privacy concerns, and annotation complexity. To address this issue, we introduce UniEM-3M, the first large-scale and multimodal EM dataset for instance-level understanding. It comprises 5,091 high-resolution EMs, about 3 million instance segmentation labels, and image-level attribute-disentangled textual descriptions, a subset of which will be made publicly available. Furthermore, we are also releasing a text-to-image diffusion model trained on the entire collection to serve as both a powerful data augmentation tool and a proxy for the complete data distribution. To establish a rigorous benchmark, we evaluate various representative instance segmentation methods on the complete UniEM-3M and present UniEM-Net as a strong baseline model. Quantitative experiments demonstrate that this flow-based model outperforms other advanced methods on this challenging benchmark. Our multifaceted release of a partial dataset, a generative model, and a comprehensive benchmark -- available at huggingface -- will significantly accelerate progress in automated materials analysis.

  • 11 authors
·
Aug 22, 2025

Quamba2: A Robust and Scalable Post-training Quantization Framework for Selective State Space Models

State Space Models (SSMs) are emerging as a compelling alternative to Transformers because of their consistent memory usage and high performance. Despite this, scaling up SSMs on cloud services or limited-resource devices is challenging due to their storage requirements and computational power. To overcome this, quantizing SSMs with low bit-width data formats can reduce model size and benefit from hardware acceleration. As SSMs are prone to quantization-induced errors, recent efforts have focused on optimizing a particular model or bit-width for efficiency without sacrificing performance. However, distinct bit-width configurations are essential for different scenarios, like W4A8 for boosting large-batch decoding speed, and W4A16 for enhancing generation speed in short prompt applications for a single user. To this end, we present Quamba2, compatible with W8A8, W4A8, and W4A16 for both Mamba1 and Mamba2 backbones, addressing the growing demand for SSM deployment on various platforms. Based on the channel order preserving and activation persistence of SSMs, we propose an offline approach to quantize inputs of a linear recurrence in 8-bit by sorting and clustering for input x, combined with a per-state-group quantization for input-dependent parameters B and C. To ensure compute-invariance in the SSM output, we rearrange weights offline according to the clustering sequence. The experiments show that Quamba2-8B outperforms several state-of-the-art SSM quantization methods and delivers 1.3times and 3times speed-ups in the pre-filling and generation stages, respectively, while offering 4times memory reduction with only a 1.6% average accuracy drop. The evaluation on MMLU shows the generalizability and robustness of our framework. The code and quantized models will be released at: https://github.com/enyac-group/Quamba.

Unlocking the Visual Record of Materials Science: A Large-Scale Multimodal Dataset from Scientific Literature

The materials science literature encodes decades of experimental knowledge in figures, yet this visual record remains locked away and inaccessible to AI at scale. The core difficulty is structural: most scientific figures are compound, with a single caption describing multiple sub-panels simultaneously, making direct image-text pairing unreliable. We present MatMMExtract, an end-to-end open-source pipeline that resolves this by decomposing compound figures into individual sub-panels and generating structured, grounded annotations using a large language model guided by a curated materials science taxonomy. Applied to 14,810 open-access articles, MatMMExtract produces MatSciFig; 391,606 panel-level image-text pairs from 180,571 figures, each annotated with a sub-caption, a two-level visualisation category spanning 19 classes and over 100 subtypes, and a scientific summary. To enable accurate panel localisation, we introduce MaterialScope, a domain-specific detection dataset of 2,811 manually annotated materials science figures, on which a fine-tuned YOLO12-m detector achieves mAP_50 of 0.9227. Among six benchmarked language models, Gemini 3.1 Flash Lite delivers the best cost-quality trade-off for annotation generation, with 82% of outputs rated good and a hallucination rate of 4.8%. A dual-encoder retrieval baseline on MatSciFig achieves a 4.4 times improvement in R@1 over zero-shot CLIP, demonstrating the dataset's immediate utility for vision-language learning. All resources are released openly to the community.

Structured Context Engineering for File-Native Agentic Systems: Evaluating Schema Accuracy, Format Effectiveness, and Multi-File Navigation at Scale

Large Language Model agents increasingly operate external systems through programmatic interfaces, yet practitioners lack empirical guidance on how to structure the context these agents consume. Using SQL generation as a proxy for programmatic agent operations, we present a systematic study of context engineering for structured data, comprising 9,649 experiments across 11 models, 4 formats (YAML, Markdown, JSON, Token-Oriented Object Notation [TOON]), and schemas ranging from 10 to 10,000 tables. Our findings challenge common assumptions. First, architecture choice is model-dependent: file-based context retrieval improves accuracy for frontier-tier models (Claude, GPT, Gemini; +2.7%, p=0.029) but shows mixed results for open source models (aggregate -7.7%, p<0.001), with deficits varying substantially by model. Second, format does not significantly affect aggregate accuracy (chi-squared=2.45, p=0.484), though individual models, particularly open source, exhibit format-specific sensitivities. Third, model capability is the dominant factor, with a 21 percentage point accuracy gap between frontier and open source tiers that dwarfs any format or architecture effect. Fourth, file-native agents scale to 10,000 tables through domain-partitioned schemas while maintaining high navigation accuracy. Fifth, file size does not predict runtime efficiency: compact or novel formats can incur a token overhead driven by grep output density and pattern unfamiliarity, with the magnitude depending on model capability. These findings provide practitioners with evidence-based guidance for deploying LLM agents on structured systems, demonstrating that architectural decisions should be tailored to model capability rather than assuming universal best practices.

  • 1 authors
·
Feb 5

Training Foundation Models on a Full-Stack AMD Platform: Compute, Networking, and System Design

We report on the first large-scale mixture-of-experts (MoE) pretraining study on pure AMD hardware, utilizing both MI300X GPUs with Pollara interconnect. We distill practical guidance for both systems and model design. On the systems side, we deliver a comprehensive cluster and networking characterization: microbenchmarks for all core collectives (all-reduce, reduce-scatter, all-gather, broadcast) across message sizes and GPU counts on Pollara. To our knowledge, this is the first at this scale. We further provide MI300X microbenchmarks on kernel sizing and memory bandwidth to inform model design. On the modeling side, we introduce and apply MI300X-aware transformer sizing rules for attention and MLP blocks and justify MoE widths that jointly optimize training throughput and inference latency. We describe our training stack in depth, including often-ignored utilities such as fault-tolerance and checkpoint-reshaping, as well as detailed information on our training recipe. We also provide a preview of our model architecture and base model - ZAYA1 (760M active, 8.3B total parameters MoE) - which will be further improved upon in forthcoming papers. ZAYA1-base achieves performance comparable to leading base models such as Qwen3-4B and Gemma3-12B at its scale and larger, and outperforms models including Llama-3-8B and OLMoE across reasoning, mathematics, and coding benchmarks. Together, these results demonstrate that the AMD hardware, network, and software stack are mature and optimized enough for competitive large-scale pretraining.

Zyphra Zyphra
·
Nov 21, 2025 1

μ-Bench: A Vision-Language Benchmark for Microscopy Understanding

Recent advances in microscopy have enabled the rapid generation of terabytes of image data in cell biology and biomedical research. Vision-language models (VLMs) offer a promising solution for large-scale biological image analysis, enhancing researchers' efficiency, identifying new image biomarkers, and accelerating hypothesis generation and scientific discovery. However, there is a lack of standardized, diverse, and large-scale vision-language benchmarks to evaluate VLMs' perception and cognition capabilities in biological image understanding. To address this gap, we introduce {\mu}-Bench, an expert-curated benchmark encompassing 22 biomedical tasks across various scientific disciplines (biology, pathology), microscopy modalities (electron, fluorescence, light), scales (subcellular, cellular, tissue), and organisms in both normal and abnormal states. We evaluate state-of-the-art biomedical, pathology, and general VLMs on {\mu}-Bench and find that: i) current models struggle on all categories, even for basic tasks such as distinguishing microscopy modalities; ii) current specialist models fine-tuned on biomedical data often perform worse than generalist models; iii) fine-tuning in specific microscopy domains can cause catastrophic forgetting, eroding prior biomedical knowledge encoded in their base model. iv) weight interpolation between fine-tuned and pre-trained models offers one solution to forgetting and improves general performance across biomedical tasks. We release {\mu}-Bench under a permissive license to accelerate the research and development of microscopy foundation models.

  • 7 authors
·
Jul 1, 2024 1

M-VAR: Decoupled Scale-wise Autoregressive Modeling for High-Quality Image Generation

There exists recent work in computer vision, named VAR, that proposes a new autoregressive paradigm for image generation. Diverging from the vanilla next-token prediction, VAR structurally reformulates the image generation into a coarse to fine next-scale prediction. In this paper, we show that this scale-wise autoregressive framework can be effectively decoupled into intra-scale modeling, which captures local spatial dependencies within each scale, and inter-scale modeling, which models cross-scale relationships progressively from coarse-to-fine scales. This decoupling structure allows to rebuild VAR in a more computationally efficient manner. Specifically, for intra-scale modeling -- crucial for generating high-fidelity images -- we retain the original bidirectional self-attention design to ensure comprehensive modeling; for inter-scale modeling, which semantically connects different scales but is computationally intensive, we apply linear-complexity mechanisms like Mamba to substantially reduce computational overhead. We term this new framework M-VAR. Extensive experiments demonstrate that our method outperforms existing models in both image quality and generation speed. For example, our 1.5B model, with fewer parameters and faster inference speed, outperforms the largest VAR-d30-2B. Moreover, our largest model M-VAR-d32 impressively registers 1.78 FID on ImageNet 256times256 and outperforms the prior-art autoregressive models LlamaGen/VAR by 0.4/0.19 and popular diffusion models LDM/DiT by 1.82/0.49, respectively. Code is avaiable at https://github.com/OliverRensu/MVAR.

  • 6 authors
·
Nov 15, 2024

QiMeng-Kernel: Macro-Thinking Micro-Coding Paradigm for LLM-Based High-Performance GPU Kernel Generation

Developing high-performance GPU kernels is critical for AI and scientific computing, but remains challenging due to its reliance on expert crafting and poor portability. While LLMs offer promise for automation, both general-purpose and finetuned LLMs suffer from two fundamental and conflicting limitations: correctness and efficiency. The key reason is that existing LLM-based approaches directly generate the entire optimized low-level programs, requiring exploration of an extremely vast space encompassing both optimization policies and implementation codes. To address the challenge of exploring an intractable space, we propose Macro Thinking Micro Coding (MTMC), a hierarchical framework inspired by the staged optimization strategy of human experts. It decouples optimization strategy from implementation details, ensuring efficiency through high-level strategy and correctness through low-level implementation. Specifically, Macro Thinking employs reinforcement learning to guide lightweight LLMs in efficiently exploring and learning semantic optimization strategies that maximize hardware utilization. Micro Coding leverages general-purpose LLMs to incrementally implement the stepwise optimization proposals from Macro Thinking, avoiding full-kernel generation errors. Together, they effectively navigate the vast optimization space and intricate implementation details, enabling LLMs for high-performance GPU kernel generation. Comprehensive results on widely adopted benchmarks demonstrate the superior performance of MTMC on GPU kernel generation in both accuracy and running time. On KernelBench, MTMC achieves near 100% and 70% accuracy at Levels 1-2 and 3, over 50% than SOTA general-purpose and domain-finetuned LLMs, with up to 7.3x speedup over LLMs, and 2.2x over expert-optimized PyTorch Eager kernels. On the more challenging TritonBench, MTMC attains up to 59.64% accuracy and 34x speedup.

  • 13 authors
·
Nov 25, 2025

LLM-enabled Instance Model Generation

In the domain of model-based engineering, models are essential components that enable system design and analysis. Traditionally, the creation of these models has been a manual process requiring not only deep modeling expertise but also substantial domain knowledge of target systems. With the rapid advancement of generative artificial intelligence, large language models (LLMs) show potential for automating model generation. This work explores the generation of instance models using LLMs, focusing specifically on producing XMI-based instance models from Ecore metamodels and natural language specifications. We observe that current LLMs struggle to directly generate valid XMI models. To address this, we propose a two-step approach: first, using LLMs to produce a simplified structured output containing all necessary instance model information, namely a conceptual instance model, and then compiling this intermediate representation into a valid XMI file. The conceptual instance model is format-independent, allowing it to be transformed into various modeling formats via different compilers. The feasibility of the proposed method has been demonstrated using several LLMs, including GPT-4o, o1-preview, Llama 3.1 (8B and 70B). Results show that the proposed method significantly improves the usability of LLMs for instance model generation tasks. Notably, the smaller open-source model, Llama 3.1 70B, demonstrated performance comparable to proprietary GPT models within the proposed framework.

  • 5 authors
·
Mar 28, 2025

How Good Are Low-bit Quantized LLaMA3 Models? An Empirical Study

Meta's LLaMA family has become one of the most powerful open-source Large Language Model (LLM) series. Notably, LLaMA3 models have recently been released and achieve impressive performance across various with super-large scale pre-training on over 15T tokens of data. Given the wide application of low-bit quantization for LLMs in resource-limited scenarios, we explore LLaMA3's capabilities when quantized to low bit-width. This exploration holds the potential to unveil new insights and challenges for low-bit quantization of LLaMA3 and other forthcoming LLMs, especially in addressing performance degradation problems that suffer in LLM compression. Specifically, we evaluate the 10 existing post-training quantization and LoRA-finetuning methods of LLaMA3 on 1-8 bits and diverse datasets to comprehensively reveal LLaMA3's low-bit quantization performance. Our experiment results indicate that LLaMA3 still suffers non-negligent degradation in these scenarios, especially in ultra-low bit-width. This highlights the significant performance gap under low bit-width that needs to be bridged in future developments. We expect that this empirical study will prove valuable in advancing future models, pushing the LLMs to lower bit-width with higher accuracy for being practical. Our project is released on https://github.com/Macaronlin/LLaMA3-Quantization and quantized LLaMA3 models are released in https://huggingface.co/LLMQ.

  • 10 authors
·
Apr 22, 2024 12

STEP-LLM: Generating CAD STEP Models from Natural Language with Large Language Models

Computer-aided design (CAD) is vital to modern manufacturing, yet model creation remains labor-intensive and expertise-heavy. To enable non-experts to translate intuitive design intent into manufacturable artifacts, recent large language models-based text-to-CAD efforts focus on command sequences or script-based formats like CadQuery. However, these formats are kernel-dependent and lack universality for manufacturing. In contrast, the Standard for the Exchange of Product Data (STEP, ISO 10303) file is a widely adopted, neutral boundary representation (B-rep) format directly compatible with manufacturing, but its graph-structured, cross-referenced nature poses unique challenges for auto-regressive LLMs. To address this, we curate a dataset of ~40K STEP-caption pairs and introduce novel preprocessing tailored for the graph-structured format of STEP, including a depth-first search-based reserialization that linearizes cross-references while preserving locality and chain-of-thought(CoT)-style structural annotations that guide global coherence. We integrate retrieval-augmented generation to ground predictions in relevant examples for supervised fine-tuning, and refine generation quality through reinforcement learning with a specific Chamfer Distance-based geometric reward. Experiments demonstrate consistent gains of our STEP-LLM in geometric fidelity over the Text2CAD baseline, with improvements arising from multiple stages of our framework: the RAG module substantially enhances completeness and renderability, the DFS-based reserialization strengthens overall accuracy, and the RL further reduces geometric discrepancy. Both metrics and visual comparisons confirm that STEP-LLM generates shapes with higher fidelity than Text2CAD. These results show the feasibility of LLM-driven STEP model generation from natural language, showing its potential to democratize CAD design for manufacturing.

  • 11 authors
·
Jan 18

JTok: On Token Embedding as another Axis of Scaling Law via Joint Token Self-modulation

LLMs have traditionally scaled along dense dimensions, where performance is coupled with near-linear increases in computational cost. While MoE decouples capacity from compute, it introduces large memory overhead and hardware efficiency challenges. To overcome these, we propose token-indexed parameters as a novel, orthogonal scaling axis that decouple model capacity from FLOPs. Specifically, we introduce Joint-Token (JTok) and Mixture of Joint-Token (JTok-M), which augment Transformer layers with modulation vectors retrieved from auxiliary embedding tables. These vectors modulate the backbone via lightweight, element-wise operations, incurring negligible FLOPs overhead. Extensive experiments on both dense and MoE backbones, spanning from 650M (190M + 460M embedding) to 61B (17B + 44B embedding) total parameters, demonstrate that our approach consistently reduces validation loss and significantly improves downstream task performance (e.g., +4.1 on MMLU, +8.3 on ARC, +8.9 on CEval). Rigorous isoFLOPs analysis further confirms that JTok-M fundamentally shifts the quality-compute Pareto frontier, achieving comparable model quality with 35% less compute relative to vanilla MoE architectures, and we validate that token-indexed parameters exhibit a predictable power-law scaling behavior. Moreover, our efficient implementation ensures that the overhead introduced by JTok and JTok-M remains marginal.

  • 8 authors
·
Jan 30

Mini-Monkey: Multi-Scale Adaptive Cropping for Multimodal Large Language Models

Recently, there has been significant interest in enhancing the capability of multimodal large language models (MLLMs) to process high-resolution images. Most existing methods focus on adopting a cropping strategy to improve the ability of multimodal large language models to understand image details. However, this cropping operation inevitably causes the segmentation of objects and connected areas, which impairs the MLLM's ability to recognize small or irregularly shaped objects or text. This issue is particularly evident in lightweight MLLMs. Addressing this issue, we propose Mini-Monkey, a lightweight MLLM that incorporates a plug-and-play method called multi-scale adaptive crop strategy (MSAC). Mini-Monkey adaptively generates multi-scale representations, allowing it to select non-segmented objects from various scales. To mitigate the computational overhead introduced by MSAC, we propose a Scale Compression Mechanism (SCM), which effectively compresses image tokens. Mini-Monkey achieves state-of-the-art performance among 2B-parameter MLLMs. It not only demonstrates leading performance on a variety of general multimodal understanding tasks but also shows consistent improvements in document understanding capabilities. On the OCRBench, Mini-Monkey achieves a score of 802, outperforming 8B-parameter state-of-the-art model InternVL2-8B. Besides, our model and training strategy are very efficient, which can be trained with only eight RTX 3090. The code is available at https://github.com/Yuliang-Liu/Monkey.

  • 5 authors
·
Aug 4, 2024

Wan: Open and Advanced Large-Scale Video Generative Models

This report presents Wan, a comprehensive and open suite of video foundation models designed to push the boundaries of video generation. Built upon the mainstream diffusion transformer paradigm, Wan achieves significant advancements in generative capabilities through a series of innovations, including our novel VAE, scalable pre-training strategies, large-scale data curation, and automated evaluation metrics. These contributions collectively enhance the model's performance and versatility. Specifically, Wan is characterized by four key features: Leading Performance: The 14B model of Wan, trained on a vast dataset comprising billions of images and videos, demonstrates the scaling laws of video generation with respect to both data and model size. It consistently outperforms the existing open-source models as well as state-of-the-art commercial solutions across multiple internal and external benchmarks, demonstrating a clear and significant performance superiority. Comprehensiveness: Wan offers two capable models, i.e., 1.3B and 14B parameters, for efficiency and effectiveness respectively. It also covers multiple downstream applications, including image-to-video, instruction-guided video editing, and personal video generation, encompassing up to eight tasks. Consumer-Grade Efficiency: The 1.3B model demonstrates exceptional resource efficiency, requiring only 8.19 GB VRAM, making it compatible with a wide range of consumer-grade GPUs. Openness: We open-source the entire series of Wan, including source code and all models, with the goal of fostering the growth of the video generation community. This openness seeks to significantly expand the creative possibilities of video production in the industry and provide academia with high-quality video foundation models. All the code and models are available at https://github.com/Wan-Video/Wan2.1.

  • 62 authors
·
Mar 26, 2025 11

Crafter: A Multi-Agent Harness for Editable Scientific Figure Generation from Diverse Inputs

Scientific figures are among the most effective means of communicating complex research ideas, yet producing publication-quality illustrations remains one of the most labor-intensive parts of paper preparation. Existing automated systems each target a single figure type under text-only input, leaving the diversity of types and conditions researchers actually use unaddressed; their raster outputs further cannot be locally revised. Because scientific figures are structured compositions of discrete semantic components, the localized errors generators produce on such layouts demand not a stronger backbone but a harness. We instantiate this harness in two complementary systems: Crafter, a multi-agent harness for figure generation that generalizes across figure types and input conditions without architectural changes, and CraftEditor, which applies the same pattern to convert raster outputs into editable SVGs. Moreover, we introduce CraftBench, a benchmark spanning three figure types and four input conditions with human quality annotation. Experiments show that Crafter substantially outperforms both standalone generators and the agentic baseline on PaperBanana-Bench and CraftBench, with ablations confirming each component's independent contribution; CraftEditor faithfully converts outputs into editable SVGs that surpass all baselines. Our code and benchmark are available at https://github.com/HaozheZhao/Crafter.

  • 9 authors
·
May 27 3

MMGenBench: Fully Automatically Evaluating LMMs from the Text-to-Image Generation Perspective

Large Multimodal Models (LMMs) demonstrate impressive capabilities. However, current benchmarks predominantly focus on image comprehension in specific domains, and these benchmarks are labor-intensive to construct. Moreover, their answers tend to be brief, making it difficult to assess the ability of LMMs to generate detailed descriptions of images. To address these limitations, we propose the MMGenBench-Pipeline, a straightforward and fully automated evaluation pipeline. This involves generating textual descriptions from input images, using these descriptions to create auxiliary images via text-to-image generative models, and then comparing the original and generated images. Furthermore, to ensure the effectiveness of MMGenBench-Pipeline, we design MMGenBench-Test, evaluating LMMs across 13 distinct image patterns, and MMGenBench-Domain, focusing on generative image performance. A thorough evaluation involving over 50 popular LMMs demonstrates the effectiveness and reliability of both the pipeline and benchmark. Our observations indicate that numerous LMMs excelling in existing benchmarks fail to adequately complete the basic tasks related to image understanding and description. This finding highlights the substantial potential for performance improvement in current LMMs and suggests avenues for future model optimization. Concurrently, MMGenBench-Pipeline can efficiently assess the performance of LMMs across diverse domains using only image inputs.

  • 7 authors
·
Nov 21, 2024

TOBench: A Task-Oriented Omni-Modal Benchmark for Real-World Tool-Using Agents

Tool-using agents are increasingly expected to operate across realistic professional workflows, where they must interpret multimodal inputs, coordinate external tools, inspect intermediate artifacts, and revise their actions before producing a final result. Existing benchmarks, however, often evaluate tool use, computer use, and multimodal reasoning in isolation, leaving a gap between benchmark settings and end-to-end omni-modal tool use in the real world. To address this gap, we introduce MM-ToolBench, a benchmark and evaluation harness for task-oriented omni-modal tool use. MM-ToolBench contains 100 executable tasks from two macro task families, Customer Service and Intelligent Creation, covering 20 subcategory slices and supported by 27 MCP servers with 324 tools. The central design of MM-ToolBench is closed-loop multimodal verification: agents must execute tools, inspect rendered or transformed artifacts, and self-correct when outputs fail task-specific requirements. To make such evaluation scalable and verifiable, MM-ToolBench couples MCP-based execution with task-specific grounded evaluators and a semi-automated construction pipeline for scenario discovery, task instantiation, evaluator synthesis, and human audit. Experiments on 15 contemporary agentic models show that MM-ToolBench remains highly challenging: Claude Opus 4.6, commonly regarded as one of the strongest coding-agent models, achieves only 32.0% task success, far below the 94.0% human benchmark. We envision MM-ToolBench as a practical foundation for evaluating and advancing next-generation omni-modal tool-using agents through closed-loop multimodal verification.

AI-Safeguard Pi3AI
·
May 15 1

ScaleEdit-12M: Scaling Open-Source Image Editing Data Generation via Multi-Agent Framework

Instruction-based image editing has emerged as a key capability for unified multimodal models (UMMs), yet constructing large-scale, diverse, and high-quality editing datasets without costly proprietary APIs remains challenging. Previous image editing datasets either rely on closed-source models for annotation, which prevents cost-effective scaling, or employ fixed synthetic editing pipelines, which suffer from limited quality and generalizability. To address these challenges, we propose ScaleEditor, a fully open-source hierarchical multi-agent framework for end-to-end construction of large-scale, high-quality image editing datasets. Our pipeline consists of three key components: source image expansion with world-knowledge infusion, adaptive multi-agent editing instruction-image synthesis, and a task-aware data quality verification mechanism. Using ScaleEditor, we curate ScaleEdit-12M, the largest open-source image editing dataset to date, spanning 23 task families across diverse real and synthetic domains. Fine-tuning UniWorld-V1 and Bagel on ScaleEdit yields consistent gains, improving performance by up to 10.4% on ImgEdit and 35.1% on GEdit for general editing benchmarks and by up to 150.0% on RISE and 26.5% on KRIS-Bench for knowledge-infused benchmarks. These results demonstrate that open-source, agentic pipelines can approach commercial-grade data quality while retaining cost-effectiveness and scalability. Both the framework and dataset will be open-sourced.

  • 9 authors
·
Mar 21 1

Meissonic: Revitalizing Masked Generative Transformers for Efficient High-Resolution Text-to-Image Synthesis

Diffusion models, such as Stable Diffusion, have made significant strides in visual generation, yet their paradigm remains fundamentally different from autoregressive language models, complicating the development of unified language-vision models. Recent efforts like LlamaGen have attempted autoregressive image generation using discrete VQVAE tokens, but the large number of tokens involved renders this approach inefficient and slow. In this work, we present Meissonic, which elevates non-autoregressive masked image modeling (MIM) text-to-image to a level comparable with state-of-the-art diffusion models like SDXL. By incorporating a comprehensive suite of architectural innovations, advanced positional encoding strategies, and optimized sampling conditions, Meissonic substantially improves MIM's performance and efficiency. Additionally, we leverage high-quality training data, integrate micro-conditions informed by human preference scores, and employ feature compression layers to further enhance image fidelity and resolution. Our model not only matches but often exceeds the performance of existing models like SDXL in generating high-quality, high-resolution images. Extensive experiments validate Meissonic's capabilities, demonstrating its potential as a new standard in text-to-image synthesis. We release a model checkpoint capable of producing 1024 times 1024 resolution images.

  • 9 authors
·
Oct 10, 2024 2

Bit-by-Bit: Progressive QAT Strategy with Outlier Channel Splitting for Stable Low-Bit LLMs

Training LLMs at ultra-low precision remains a formidable challenge. Direct low-bit QAT often suffers from convergence instability and substantial training costs, exacerbated by quantization noise from heavy-tailed outlier channels and error accumulation across layers. To address these issues, we present Bit-by-Bit, a progressive QAT framework with outlier channel splitting. Our approach integrates three key components: (1) block-wise progressive training that reduces precision stage by stage, ensuring stable initialization for low-bit optimization; (2) nested structure of integer quantization grids to enable a "train once, deploy any precision" paradigm, allowing a single model to support multiple bit-widths without retraining; (3) rounding-aware outlier channel splitting, which mitigates quantization error while acting as an identity transform that preserves the quantized outputs. Furthermore, we follow microscaling groups with E4M3 scales, capturing dynamic activation ranges in alignment with OCP/NVIDIA standards. To address the lack of efficient 2-bit kernels, we developed custom operators for both W2A2 and W2A16 configurations, achieving up to 11times speedup over BF16. Under W2A2 settings, Bit-by-Bit significantly outperforms baselines like BitDistiller and EfficientQAT on both Llama2/3, achieving a loss of only 2.25 WikiText2 PPL compared to full-precision models.

  • 11 authors
·
Apr 8

MegaScale: Scaling Large Language Model Training to More Than 10,000 GPUs

We present the design, implementation and engineering experience in building and deploying MegaScale, a production system for training large language models (LLMs) at the scale of more than 10,000 GPUs. Training LLMs at this scale brings unprecedented challenges to training efficiency and stability. We take a full-stack approach that co-designs the algorithmic and system components across model block and optimizer design, computation and communication overlapping, operator optimization, data pipeline, and network performance tuning. Maintaining high efficiency throughout the training process (i.e., stability) is an important consideration in production given the long extent of LLM training jobs. Many hard stability issues only emerge at large scale, and in-depth observability is the key to address them. We develop a set of diagnosis tools to monitor system components and events deep in the stack, identify root causes, and derive effective techniques to achieve fault tolerance and mitigate stragglers. MegaScale achieves 55.2% Model FLOPs Utilization (MFU) when training a 175B LLM model on 12,288 GPUs, improving the MFU by 1.34x compared to Megatron-LM. We share our operational experience in identifying and fixing failures and stragglers. We hope by articulating the problems and sharing our experience from a systems perspective, this work can inspire future LLM systems research.

  • 32 authors
·
Feb 23, 2024 2

ProVision: Programmatically Scaling Vision-centric Instruction Data for Multimodal Language Models

With the rise of multimodal applications, instruction data has become critical for training multimodal language models capable of understanding complex image-based queries. Existing practices rely on powerful but costly large language models (LLMs) or multimodal language models (MLMs) to produce instruction data. These are often prone to hallucinations, licensing issues and the generation process is often hard to scale and interpret. In this work, we present a programmatic approach that employs scene graphs as symbolic representations of images and human-written programs to systematically synthesize vision-centric instruction data. Our approach ensures the interpretability and controllability of the data generation process and scales efficiently while maintaining factual accuracy. By implementing a suite of 24 single-image, 14 multi-image instruction generators, and a scene graph generation pipeline, we build a scalable, cost-effective system: ProVision which produces diverse question-answer pairs concerning objects, attributes, relations, depth, etc., for any given image. Applied to Visual Genome and DataComp datasets, we generate over 10 million instruction data points, ProVision-10M, and leverage them in both pretraining and instruction tuning stages of MLMs. When adopted in the instruction tuning stage, our single-image instruction data yields up to a 7% improvement on the 2D split and 8% on the 3D split of CVBench, along with a 3% increase in performance on QBench2, RealWorldQA, and MMMU. Our multi-image instruction data leads to an 8% improvement on Mantis-Eval. Incorporation of our data in both pre-training and fine-tuning stages of xGen-MM-4B leads to an averaged improvement of 1.6% across 11 benchmarks.

  • 14 authors
·
Dec 9, 2024

Elucidating the Design Space of FP4 training

The increasing computational demands of foundation models have spurred research into low-precision training, with 4-bit floating-point (FP4) formats emerging as a frontier for maximizing hardware throughput. While numerous techniques have been proposed to stabilize FP4 training, they often present isolated solutions with varying, and not always clear, computational overheads. This paper aims to provide a unified view of the design space of FP4 training. We introduce a comprehensive, quantisation gradient-based framework for microscaling quantization that allows for a theoretical analysis of the computational costs associated with different stabilization methods on both the forward and backward passes. Using a simulator built on this framework, we conduct an extensive empirical study across a wide range of machine learning tasks, including regression, image classification, diffusion models, and language models. By systematically evaluating thousands of combinations of techniques, such as novel gradient approximations, rounding strategies, and scaling methods, we identify which configurations offer the most favourable performance-to-overhead trade-off. We find that the techniques enabling the best trade-off involve carefully combining Hadamard transformations, tensor scaling and stochastic rounding. We further find that using UE5M3 as a scaling factor potentially offers a good compromise between range and precision with manageable computational overhead.

  • 3 authors
·
Sep 22, 2025

Beyond Text and Tables: Vision-Language Model Integration in ComProScanner for Extracting Materials Data from Scientific Figures with High Accuracy

Automated extraction of materials composition-property data from scientific literature has advanced considerably with the development of large language model-based pipelines; however, existing frameworks remain limited to textual and tabular content, overlooking the substantial proportion of quantitative property data reported exclusively in scientific figures. Here, we extend ComProScanner, a fully end-to-end multi-agent framework for automated composition-property database construction, with a native vision-language model (VLM) based figure extraction capability. The extension introduces a FigureExtractor utility for caption-keyword-based figure filtering across all supported publishers, and a GraphExtractorTool agent that passes extracted figures to a configurable VLM to recover composition-property pairs from scientific charts and plots. Four VLMs are selected for evaluation on the basis of the LMArena Diagram leaderboard with an input cost criterion of less than \1.50 per million tokens. Benchmarking on 50 piezoelectric ceramic articles from the established d_{33}$ test corpus demonstrates that Gemini-3-Flash-Preview achieves the highest performance with a composition accuracy of 0.97 and a normalised F1 score of 0.97, whilst remaining the most cost-effective model among the four evaluated. We additionally introduce a range-based value error threshold parameter into the evaluation framework, providing a more physically meaningful assessment of numeric property values extracted from figures than exact value matching. These contributions establish VLM-integrated ComProScanner as the first materials-specific, fully automated, multimodal literature mining platform capable of extracting structured composition-property data from text, tables, and figures within a single unified pipeline.

  • 4 authors
·
May 18

OmniCorpus: A Unified Multimodal Corpus of 10 Billion-Level Images Interleaved with Text

Image-text interleaved data, consisting of multiple images and texts arranged in a natural document format, aligns with the presentation paradigm of internet data and closely resembles human reading habits. Recent studies have shown that such data aids multimodal in-context learning and maintains the capabilities of large language models during multimodal fine-tuning. However, the limited scale and diversity of current image-text interleaved data restrict the development of multimodal large language models. In this paper, we introduce OmniCorpus, a 10 billion-scale image-text interleaved dataset. Using an efficient data engine, we filter and extract large-scale high-quality documents, which contain 8.6 billion images and 1,696 billion text tokens. Compared to counterparts (e.g., MMC4, OBELICS), our dataset 1) has 15 times larger scales while maintaining good data quality; 2) features more diverse sources, including both English and non-English websites as well as video-centric websites; 3) is more flexible, easily degradable from an image-text interleaved format to pure text corpus and image-text pairs. Through comprehensive analysis and experiments, we validate the quality, usability, and effectiveness of the proposed dataset. We hope this could provide a solid data foundation for future multimodal model research. Code and data are released at https://github.com/OpenGVLab/OmniCorpus.

  • 40 authors
·
Jun 12, 2024 3

Macro-from-Micro Planning for High-Quality and Parallelized Autoregressive Long Video Generation

Current autoregressive diffusion models excel at video generation but are generally limited to short temporal durations. Our theoretical analysis indicates that the autoregressive modeling typically suffers from temporal drift caused by error accumulation and hinders parallelization in long video synthesis. To address these limitations, we propose a novel planning-then-populating framework centered on Macro-from-Micro Planning (MMPL) for long video generation. MMPL sketches a global storyline for the entire video through two hierarchical stages: Micro Planning and Macro Planning. Specifically, Micro Planning predicts a sparse set of future keyframes within each short video segment, offering motion and appearance priors to guide high-quality video segment generation. Macro Planning extends the in-segment keyframes planning across the entire video through an autoregressive chain of micro plans, ensuring long-term consistency across video segments. Subsequently, MMPL-based Content Populating generates all intermediate frames in parallel across segments, enabling efficient parallelization of autoregressive generation. The parallelization is further optimized by Adaptive Workload Scheduling for balanced GPU execution and accelerated autoregressive video generation. Extensive experiments confirm that our method outperforms existing long video generation models in quality and stability. Generated videos and comparison results are in our project page.

  • 13 authors
·
Aug 5, 2025

The MAMe Dataset: On the relevance of High Resolution and Variable Shape image properties

In the image classification task, the most common approach is to resize all images in a dataset to a unique shape, while reducing their precision to a size which facilitates experimentation at scale. This practice has benefits from a computational perspective, but it entails negative side-effects on performance due to loss of information and image deformation. In this work we introduce the MAMe dataset, an image classification dataset with remarkable high resolution and variable shape properties. The goal of MAMe is to provide a tool for studying the impact of such properties in image classification, while motivating research in the field. The MAMe dataset contains thousands of artworks from three different museums, and proposes a classification task consisting on differentiating between 29 mediums (i.e. materials and techniques) supervised by art experts. After reviewing the singularity of MAMe in the context of current image classification tasks, a thorough description of the task is provided, together with dataset statistics. Experiments are conducted to evaluate the impact of using high resolution images, variable shape inputs and both properties at the same time. Results illustrate the positive impact in performance when using high resolution images, while highlighting the lack of solutions to exploit variable shapes. An additional experiment exposes the distinctiveness between the MAMe dataset and the prototypical ImageNet dataset. Finally, the baselines are inspected using explainability methods and expert knowledge, to gain insights on the challenges that remain ahead.

  • 7 authors
·
Jul 27, 2020

All that structure matches does not glitter

Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends critically on robust benchmarks and minimal, information-rich datasets that enable meaningful model evaluation. This paper critically examines common datasets and reported metrics for a crystal structure prediction taskx2014generating the most likely structures given the chemical composition of a material. We focus on three key issues: First, materials datasets should contain unique crystal structures; for example, we show that the widely-utilized carbon-24 dataset only contains approx40% unique structures. Second, materials datasets should not be split randomly if polymorphs of many different compositions are numerous, which we find to be the case for the perov-5 dataset. Third, benchmarks can mislead if used uncritically, e.g., reporting a match rate metric without considering the structural variety exhibited by identical building blocks. To address these oft-overlooked issues, we introduce several fixes. We provide revised versions of the carbon-24 dataset: one with duplicates removed, one deduplicated and split by number of atoms N, and two containing only identical structures but with different unit cells. We also propose a new split for the perov-5 dataset which ensures polymorphs are grouped within each split subset, setting a more sensible standard for benchmarking model performance. Finally, we present METRe and cRMSE, new model evaluation metrics that can correct existing issues with the match rate metric.

  • 10 authors
·
Sep 15, 2025

Metatensor and metatomic: foundational libraries for interoperable atomistic machine learning

Incorporation of machine learning (ML) techniques into atomic-scale modeling has proven to be an extremely effective strategy to improve the accuracy and reduce the computational cost of simulations. It also entails conceptual and practical challenges, as it involves combining very different mathematical foundations, as well as software ecosystems that are very well developed in their own merit, but do not share many commonalities. To address these issues and facilitate the adoption of ML in atomistic simulations, we introduce two dedicated software libraries. The first one, metatensor, provides multi-platform and multi-language storage and manipulation of arrays with many potentially sparse indices, designed from the ground up for atomistic ML applications. By combining the actual values with metadata that describes their nature and that facilitates the handling of geometric information and gradients with respect to the atomic positions, metatensor provides a common framework to enable data sharing between ML software -- typically written in Python -- and established atomistic modeling tools -- typically written in Fortran, C or C++. The second library, metatomic, provides an interface to store an atomistic ML model and metadata about this model in a portable way, facilitating the implementation, training and distribution of models, and their use across different simulation packages. We showcase a growing ecosystem of tools, from low-level libraries, training utilities, to interfaces with existing software packages that demonstrate the effectiveness of metatensor and metatomic in bridging the gap between traditional simulation software and modern ML frameworks.

  • 14 authors
·
Aug 21, 2025 1

FMBench: Adaptive Large Language Model Output Formatting

Producing outputs that satisfy both semantic intent and format constraints is essential for deploying large language models in user-facing and system-integrated workflows. In this work, we focus on Markdown formatting, which is ubiquitous in assistants, documentation, and tool-augmented pipelines but still prone to subtle, hard-to-detect errors (e.g., broken lists, malformed tables, inconsistent headings, and invalid code blocks) that can significantly degrade downstream usability. We present FMBench, a benchmark for adaptive Markdown output formatting that evaluates models under a wide range of instruction-following scenarios with diverse structural requirements. FMBench emphasizes real-world formatting behaviors such as multi-level organization, mixed content (natural language interleaved with lists/tables/code), and strict adherence to user-specified layout constraints. To improve Markdown compliance without relying on hard decoding constraints, we propose a lightweight alignment pipeline that combines supervised fine-tuning (SFT) with reinforcement learning fine-tuning. Starting from a base model, we first perform SFT on instruction-response pairs, and then optimize a composite objective that balances semantic fidelity with structural correctness. Experiments on two model families (OpenPangu and Qwen) show that SFT consistently improves semantic alignment, while reinforcement learning provides additional gains in robustness to challenging Markdown instructions when initialized from a strong SFT policy. Our results also reveal an inherent trade-off between semantic and structural objectives, highlighting the importance of carefully designed rewards for reliable formatted generation. Code is available at: https://github.com/FudanCVL/FMBench.

  • 3 authors
·
Feb 5

MiniCPM: Unveiling the Potential of Small Language Models with Scalable Training Strategies

The burgeoning interest in developing Large Language Models (LLMs) with up to trillion parameters has been met with concerns regarding resource efficiency and practical expense, particularly given the immense cost of experimentation. This scenario underscores the importance of exploring the potential of Small Language Models (SLMs) as a resource-efficient alternative. In this context, we introduce MiniCPM, specifically the 1.2B and 2.4B non-embedding parameter variants, not only excel in their respective categories but also demonstrate capabilities on par with 7B-13B LLMs. While focusing on SLMs, our approach exhibits scalability in both model and data dimensions for future LLM research. Regarding model scaling, we employ extensive model wind tunnel experiments for stable and optimal scaling. For data scaling, we introduce a Warmup-Stable-Decay (WSD) learning rate scheduler (LRS), conducive to continuous training and domain adaptation. We present an in-depth analysis of the intriguing training dynamics that occurred in the WSD LRS. With WSD LRS, we are now able to efficiently study data-model scaling law without extensive retraining experiments on both axes of model and data, from which we derive the much higher compute optimal data-model ratio than Chinchilla Optimal. Additionally, we introduce MiniCPM family, including MiniCPM-DPO, MiniCPM-MoE and MiniCPM-128K, whose excellent performance further cementing MiniCPM's foundation in diverse SLM applications. MiniCPM models are available publicly at https://github.com/OpenBMB/MiniCPM .

  • 25 authors
·
Apr 9, 2024 1

SciForma: Structure-Faithful Generation of Scientific Diagrams

Structural fidelity is essential to scientific methodology diagrams. To communicate research logic, these diagrams must faithfully render components, directional relations, and textual annotations. Since a single error, such as a reversed arrow or an unreadable equation, can invalidate the entire figure, structural fidelity is inherently conjunctive: correctness on one axis cannot compensate for failure on another. Current open-source models fail to satisfy this criterion. Supervised fine-tuning (SFT) learns plausible layouts but cannot reliably ensure structural correctness, while scalar reward-based post-training obscures which structural dimension has failed. To address this, we introduce SciForma, a framework for the structure faithful generation of scientific methodology diagrams. Specifically, SciForma decomposes diagram quality into three structural axes: Component, Arrow, and Text, guided by a structural inventory. Built on this foundation, we curate SciFormaData-700K for structured training and SciFormaBench-2K for logic-verified evaluation. To close the gap left by SFT, we develop Multi-Dimensional Conjunctive Preference Optimization (M-DPO), which enforces simultaneous correctness across all axes and adaptively routes gradients to the most deficient dimension in post-training. The same structural inventory also enables iterative editing at inference time to correct residual errors. This combination allows SciForma-9B to exceed all open-source baselines and GPT-Image-1.5 on both SciFormaBench-2K and AIBench, bringing open scientific diagram generation close to proprietary-level structural fidelity. Our code and data will be available at: https://github.com/microsoft/SciForma.

Step1X-3D: Towards High-Fidelity and Controllable Generation of Textured 3D Assets

While generative artificial intelligence has advanced significantly across text, image, audio, and video domains, 3D generation remains comparatively underdeveloped due to fundamental challenges such as data scarcity, algorithmic limitations, and ecosystem fragmentation. To this end, we present Step1X-3D, an open framework addressing these challenges through: (1) a rigorous data curation pipeline processing >5M assets to create a 2M high-quality dataset with standardized geometric and textural properties; (2) a two-stage 3D-native architecture combining a hybrid VAE-DiT geometry generator with an diffusion-based texture synthesis module; and (3) the full open-source release of models, training code, and adaptation modules. For geometry generation, the hybrid VAE-DiT component produces TSDF representations by employing perceiver-based latent encoding with sharp edge sampling for detail preservation. The diffusion-based texture synthesis module then ensures cross-view consistency through geometric conditioning and latent-space synchronization. Benchmark results demonstrate state-of-the-art performance that exceeds existing open-source methods, while also achieving competitive quality with proprietary solutions. Notably, the framework uniquely bridges the 2D and 3D generation paradigms by supporting direct transfer of 2D control techniques~(e.g., LoRA) to 3D synthesis. By simultaneously advancing data quality, algorithmic fidelity, and reproducibility, Step1X-3D aims to establish new standards for open research in controllable 3D asset generation.

  • 18 authors
·
May 12, 2025 3

Decompile-Bench: Million-Scale Binary-Source Function Pairs for Real-World Binary Decompilation

Recent advances in LLM-based decompilers have been shown effective to convert low-level binaries into human-readable source code. However, there still lacks a comprehensive benchmark that provides large-scale binary-source function pairs, which is critical for advancing the LLM decompilation technology. Creating accurate binary-source mappings incurs severe issues caused by complex compilation settings and widespread function inlining that obscure the correspondence between binaries and their original source code. Previous efforts have either relied on used contest-style benchmarks, synthetic binary-source mappings that diverge significantly from the mappings in real world, or partially matched binaries with only code lines or variable names, compromising the effectiveness of analyzing the binary functionality. To alleviate these issues, we introduce Decompile-Bench, the first open-source dataset comprising two million binary-source function pairs condensed from 100 million collected function pairs, i.e., 450GB of binaries compiled from permissively licensed GitHub projects. For the evaluation purposes, we also developed a benchmark Decompile-Bench-Eval including manually crafted binaries from the well-established HumanEval and MBPP, alongside the compiled GitHub repositories released after 2025 to mitigate data leakage issues. We further explore commonly-used evaluation metrics to provide a thorough assessment of the studied LLM decompilers and find that fine-tuning with Decompile-Bench causes a 20% improvement over previous benchmarks in terms of the re-executability rate. Our code and data has been released in HuggingFace and Github. https://github.com/albertan017/LLM4Decompile

  • 9 authors
·
May 18, 2025

Faithful, Enriched, and Precise: Benchmarking Natural-Science Illustration Generation by T2I models

Scientific illustrations are essential tools for communicating research findings, especially in natural science, where they visualize complex concepts and processes. As Text-to-Image (T2I) models become increasingly capable, researchers have started to use them for scientific illustration generation. However, existing benchmarks often assess outputs at a holistic level, overlooking fine-grained elements, while scientific reasoning ability and output conciseness remain under-quantified. We introduce FEPBench, a benchmark built from carefully selected high-quality scientific illustrations across multiple disciplines and layout types. With the assistance of multimodal large language models (MLLMs) and human experts, we provide fine-grained atom set annotations and systematically evaluate T2I models along three dimensions: instruction faithfulness, reasoning enrichment, and semantic precision. Our evaluation further decomposes model performance across visual, textual, relation, and layout elements. Results show that even state-of-the-art (SOTA) closed-source models, such as GPT Image 2 and Nano Banana Pro, still suffer from text-rendering bottlenecks, limited reasoning enrichment, and difficulty balancing generation richness with precision. These findings provide practical guidance for improving and deploying T2I models in scientific illustration generation. Benchmark data, atom set annotations, and evaluation code will be released by us.

  • 12 authors
·
Jun 4

Direction-Preserving Number Representations

Low-precision number formats are widely used in modern machine learning systems due to their efficiency. Accurate direction representation is key to the accuracy of vector operations. This work precisely explores the extent to which the direction of a vector can be represented by selecting its scalar elements from a common finite alphabet of a given size. This is standard practice in machine learning, where low-precision significands may be narrow-width floating-point or integer values. A geometric framework is introduced for analyzing the directional coverage of such product-structured codes. This work analytically quantifies the suboptimality gap between such product-structured codes and spherical codes for the vector as a whole, in both low and asymptotically high dimensions. Furthermore, within the product code class, it is proven that the standard formats of two's complement, fixed-point, and floating-point are suboptimal, again with quantified gap, pointing to the potential to develop new scalar number formats. Such scalar alphabets are numerically optimized across multiple block dimensions for directional coverage, including the dimension used in NVIDIA's NVFP4 format. Experimental results are presented comparing the performance of standard formats and the optimized alphabet. We find that for four bits, NVIDIA's choice of E2M1 closely approximates the optimized alphabet, providing a geometric explanation for its strong performance in low-precision machine learning workloads and an analytical understanding of the link between that superiority and block size. We provide open-source formal proofs in Lean for the theorems in this work, along with the experimental code and the optimized alphabets obtained.

  • 2 authors
·
May 7

Tutel: Adaptive Mixture-of-Experts at Scale

Sparsely-gated mixture-of-experts (MoE) has been widely adopted to scale deep learning models to trillion-plus parameters with fixed computational cost. The algorithmic performance of MoE relies on its token routing mechanism that forwards each input token to the right sub-models or experts. While token routing dynamically determines the amount of expert workload at runtime, existing systems suffer inefficient computation due to their static execution, namely static parallelism and pipelining, which does not adapt to the dynamic workload. We present Flex, a highly scalable stack design and implementation for MoE with dynamically adaptive parallelism and pipelining. Flex designs an identical layout for distributing MoE model parameters and input data, which can be leveraged by all possible parallelism or pipelining methods without any mathematical inequivalence or tensor migration overhead. This enables adaptive parallelism/pipelining optimization at zero cost during runtime. Based on this key design, Flex also implements various MoE acceleration techniques. Aggregating all techniques, Flex finally delivers huge speedup at any scale -- 4.96x and 5.75x speedup of a single MoE layer over 16 and 2,048 A100 GPUs, respectively, over the previous state-of-the-art. Our evaluation shows that Flex efficiently and effectively runs a real-world MoE-based model named SwinV2-MoE, built upon Swin Transformer V2, a state-of-the-art computer vision architecture. On efficiency, Flex accelerates SwinV2-MoE, achieving up to 1.55x and 2.11x speedup in training and inference over Fairseq, respectively. On effectiveness, the SwinV2-MoE model achieves superior accuracy in both pre-training and down-stream computer vision tasks such as COCO object detection than the counterpart dense model, indicating the readiness of Flex for end-to-end real-world model training and inference.

  • 15 authors
·
Jun 7, 2022

BRIDGES: Bridging Graph Modality and Large Language Models within EDA Tasks

While many EDA tasks already involve graph-based data, existing LLMs in EDA primarily either represent graphs as sequential text, or simply ignore graph-structured data that might be beneficial like dataflow graphs of RTL code. Recent studies have found that LLM performance suffers when graphs are represented as sequential text, and using additional graph information significantly boosts performance. To address these challenges, we introduce BRIDGES, a framework designed to incorporate graph modality into LLMs for EDA tasks. BRIDGES integrates an automated data generation workflow, a solution that combines graph modality with LLM, and a comprehensive evaluation suite. First, we establish an LLM-driven workflow to generate RTL and netlist-level data, converting them into dataflow and netlist graphs with function descriptions. This workflow yields a large-scale dataset comprising over 500,000 graph instances and more than 1.5 billion tokens. Second, we propose a lightweight cross-modal projector that encodes graph representations into text-compatible prompts, enabling LLMs to effectively utilize graph data without architectural modifications. Experimental results demonstrate 2x to 10x improvements across multiple tasks compared to text-only baselines, including accuracy in design retrieval, type prediction and perplexity in function description, with negligible computational overhead (<1% model weights increase and <30% additional runtime overhead). Even without additional LLM finetuning, our results outperform text-only by a large margin. We plan to release BRIDGES, including the dataset, models, and training flow.

  • 6 authors
·
Apr 7, 2025

LLaVA-UHD: an LMM Perceiving Any Aspect Ratio and High-Resolution Images

Visual encoding constitutes the basis of large multimodal models (LMMs) in understanding the visual world. Conventional LMMs process images in fixed sizes and limited resolutions, while recent explorations in this direction are limited in adaptivity, efficiency, and even correctness. In this work, we first take GPT-4V and LLaVA-1.5 as representative examples and expose systematic flaws rooted in their visual encoding strategy. To address the challenges, we present LLaVA-UHD, a large multimodal model that can efficiently perceive images in any aspect ratio and high resolution. LLaVA-UHD includes three key components: (1) An image modularization strategy that divides native-resolution images into smaller variable-sized slices for efficient and extensible encoding, (2) a compression module that further condenses image tokens from visual encoders, and (3) a spatial schema to organize slice tokens for LLMs. Comprehensive experiments show that LLaVA-UHD outperforms established LMMs trained with 2-3 orders of magnitude more data on 9 benchmarks. Notably, our model built on LLaVA-1.5 336x336 supports 6 times larger (i.e., 672x1088) resolution images using only 94% inference computation, and achieves 6.4 accuracy improvement on TextVQA. Moreover, the model can be efficiently trained in academic settings, within 23 hours on 8 A100 GPUs (vs. 26 hours of LLaVA-1.5). We make the data and code publicly available at https://github.com/thunlp/LLaVA-UHD.

  • 10 authors
·
Mar 18, 2024 1

HiFloat4 Format for End-To-End Reinforcement Learning Post-Training of Large Language Models

We present, to our knowledge, the first end-to-end FP4 RL post-training, in which both the rollout and training policies, including their forward and backward passes, operate at 4-bit precision. A systematic study reveals that the dominant source of degradation in FP4 RL is not training-side quantization error but rollout activation quantization: outliers stretch the dynamic range so far that a large number of activation values underflow to zero under FP4. Counterintuitively, restoring the training policy to higher precision while keeping the rollout in FP4 makes accuracy worse than full FP4 baseline, exposing rollout-training mismatch as the principal failure mode and ruling out standard pretraining-style fixes. We address this with Rollout Residual Quantization (Rollout-ResQ): a single residual correction term constrained to a hardware-friendly sparsity pattern, added only to the FP4 rollout matmul -- a lightweight correction that recovers most of the precision lost to outlier-driven underflow without inflating the rollout's compute footprint. On Qwen2.5-3B and Qwen2.5-Math-7B, Rollout-ResQ paired with the HiFloat4 (HiF4) format -- whose three-level hierarchical scaling preserves resolution under FP4's tight 4-bit budget -- closes the accuracy gap to BF16 from 4.9% to 1.1%, bringing fully quantized FP4 RL within striking distance of full precision. Applied to the open-standard MXFP4, the same recipe narrows the gap from 13.6% to 5.3%, revealing that FP4 format choice is a key factor that determines the ceiling on recoverable accuracy. Together, these results establish HiF4 as the enabling format for end-to-end FP4 RL post-training, and Rollout-ResQ as the activation-side mechanism that makes the gap to BF16 closable.

  • 13 authors
·
Jul 28

HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science

We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee.

  • 4 authors
·
Oct 12, 2023

NexForge: Scaling Agent Capabilities through Requirement-Driven Task Synthesis for LLMs

Scaling executable agent training data for LLM post-training is bottlenecked by substrate-bound methods that tie task generation to predefined tools, repositories, or skill graphs: expanding coverage requires manual substrate engineering, each new domain demands a bespoke pipeline, and the resulting task distributions often reflect substrate biases rather than real-world demand. We introduce NexForge, a requirement-driven framework that takes high-level capability requirements as input and synthesizes diverse, executable agent tasks and expert trajectories for SFT. NexForge first investigates real-world demand to construct scenarios and task profiles, then performs distribution-aware compilation to generate task directives. For each directive, NexForge automatically retrieves or constructs the required files, dependencies, and runtime configurations, and finally collects expert rollouts to produce training trajectories. Without domain-specific infrastructure, NexForge produces 3.6K terminal and 2K office tasks, improving Qwen3.5-35B-A3B Base from 22.5\% to 52.0\% on Terminal-Bench 2.0 and from 813 to 1338 Elo on GDPval; scaling further to 43.2K terminal tasks yields 58.4\%, on par with Claude Opus 4.6 equipped with Claude Code. Scaled further, NexForge-synthesized data contributes to the training of Nex-N2, a family of publicly available agent models that lift Qwen3.5-397B-A17B to 75.3\% on Terminal-Bench 2.1 and to 1585 Elo on GDPval---achieving state-of-the-art open-source performance and surpassing several frontier proprietary systems. Nex-N2 models are available at https://nex.sii.edu.cn/.

nex-agi Nex AGI
·
Jul 31 4

Breaking Training Bottlenecks: Effective and Stable Reinforcement Learning for Coding Models

Modern code generation models exhibit longer outputs, accelerated capability growth, and changed training dynamics, rendering traditional training methodologies, algorithms, and datasets ineffective for improving their performance. To address these training bottlenecks, we propose MicroCoder-GRPO, an improved Group Relative Policy Optimization approach with three innovations: conditional truncation masking to improve long output potential while maintaining training stability, diversity-determined temperature selection to maintain and encourage output diversity, and removal of KL loss with high clipping ratios to facilitate solution diversity. MicroCoder-GRPO achieves up to 17.6% relative improvement over strong baselines on LiveCodeBench v6, with more pronounced gains under extended context evaluation. Additionally, we release MicroCoder-Dataset, a more challenging training corpus that achieves 3x larger performance gains than mainstream datasets on LiveCodeBench v6 within 300 training steps, and MicroCoder-Evaluator, a robust framework with approximately 25% improved evaluation accuracy and around 40% faster execution. Through comprehensive analysis across more than thirty controlled experiments, we reveal 34 training insights across seven main aspects, demonstrating that properly trained models can achieve competitive performance with larger counterparts.

Project Imaging-X: A Survey of 1000+ Open-Access Medical Imaging Datasets for Foundation Model Development

Foundation models have demonstrated remarkable success across diverse domains and tasks, primarily due to the thrive of large-scale, diverse, and high-quality datasets. However, in the field of medical imaging, the curation and assembling of such medical datasets are highly challenging due to the reliance on clinical expertise and strict ethical and privacy constraints, resulting in a scarcity of large-scale unified medical datasets and hindering the development of powerful medical foundation models. In this work, we present the largest survey to date of medical image datasets, covering over 1,000 open-access datasets with a systematic catalog of their modalities, tasks, anatomies, annotations, limitations, and potential for integration. Our analysis exposes a landscape that is modest in scale, fragmented across narrowly scoped tasks, and unevenly distributed across organs and modalities, which in turn limits the utility of existing medical image datasets for developing versatile and robust medical foundation models. To turn fragmentation into scale, we propose a metadata-driven fusion paradigm (MDFP) that integrates public datasets with shared modalities or tasks, thereby transforming multiple small data silos into larger, more coherent resources. Building on MDFP, we release an interactive discovery portal that enables end-to-end, automated medical image dataset integration, and compile all surveyed datasets into a unified, structured table that clearly summarizes their key characteristics and provides reference links, offering the community an accessible and comprehensive repository. By charting the current terrain and offering a principled path to dataset consolidation, our survey provides a practical roadmap for scaling medical imaging corpora, supporting faster data discovery, more principled dataset creation, and more capable medical foundation models.

SSumM: Sparse Summarization of Massive Graphs

Given a graph G and the desired size k in bits, how can we summarize G within k bits, while minimizing the information loss? Large-scale graphs have become omnipresent, posing considerable computational challenges. Analyzing such large graphs can be fast and easy if they are compressed sufficiently to fit in main memory or even cache. Graph summarization, which yields a coarse-grained summary graph with merged nodes, stands out with several advantages among graph compression techniques. Thus, a number of algorithms have been developed for obtaining a concise summary graph with little information loss or equivalently small reconstruction error. However, the existing methods focus solely on reducing the number of nodes, and they often yield dense summary graphs, failing to achieve better compression rates. Moreover, due to their limited scalability, they can be applied only to moderate-size graphs. In this work, we propose SSumM, a scalable and effective graph-summarization algorithm that yields a sparse summary graph. SSumM not only merges nodes together but also sparsifies the summary graph, and the two strategies are carefully balanced based on the minimum description length principle. Compared with state-of-the-art competitors, SSumM is (a) Concise: yields up to 11.2X smaller summary graphs with similar reconstruction error, (b) Accurate: achieves up to 4.2X smaller reconstruction error with similarly concise outputs, and (c) Scalable: summarizes 26X larger graphs while exhibiting linear scalability. We validate these advantages through extensive experiments on 10 real-world graphs.

  • 5 authors
·
Jun 1, 2020

MCPToolBench++: A Large Scale AI Agent Model Context Protocol MCP Tool Use Benchmark

LLMs' capabilities are enhanced by using function calls to integrate various data sources or API results into the context window. Typical tools include search, web crawlers, maps, financial data, file systems, and browser usage, etc. Integrating these data sources or functions requires a standardized method. The Model Context Protocol (MCP) provides a standardized way to supply context to LLMs. However, the evaluation of LLMs and AI Agents' MCP tool use abilities suffer from several issues. First, there's a lack of comprehensive datasets or benchmarks to evaluate various MCP tools. Second, the diverse formats of response from MCP tool call execution further increase the difficulty of evaluation. Additionally, unlike existing tool-use benchmarks with high success rates in functions like programming and math functions, the success rate of real-world MCP tool is not guaranteed and varies across different MCP servers. Furthermore, the LLMs' context window also limits the number of available tools that can be called in a single run, because the textual descriptions of tool and the parameters have long token length for an LLM to process all at once. To help address the challenges of evaluating LLMs' performance on calling MCP tools, we propose MCPToolBench++, a large-scale, multi-domain AI Agent tool use benchmark. As of July 2025, this benchmark is build upon marketplace of over 4k MCP servers from more than 40 categories, collected from the MCP marketplaces and GitHub communities. The datasets consist of both single-step and multi-step tool calls across different categories. We evaluated SOTA LLMs with agentic abilities on this benchmark and reported the results.

  • 4 authors
·
Aug 10, 2025 2

A New Multi-Domain Benchmark for Micro-Action Recognition and Detection

Micro-actions are short-duration, low-amplitude subtle body movements at the whole-body level that can reveal latent intentions, involuntary reactions, and fine-grained affective changes. Our previous MA-52 benchmark has provided an important foundation for micro-action recognition, but it remains limited in scale, scene diversity, task coverage, and evaluation protocols. To advance micro-action analysis toward more realistic and comprehensive settings, we introduce MMA-82, a large-scale multi-domain extension of MA-52. MMA-82 expands the label space from 52 to 82 fine-grained micro-action categories and covers four distinct domains, including laboratory interviews, street interviews, psychiatric patient interviews, and emotion-rich television videos, resulting in 77,856 annotated instances from 454 subjects. Built upon MMA-82, we establish two core tasks: Micro-Action Recognition and Multi-label Micro-Action Detection. For recognition, we further define in-domain and cross-domain protocols, including few-shot and zero-shot settings, to evaluate model robustness, transferability, and generalization. Extensive experiments show that current methods still struggle with realistic micro-action understanding, especially under domain shift, long-tailed category distributions, and complex temporal localization. Beyond benchmarking, we investigate the relationship between micro-actions and emotion, showing that micro-actions are strongly associated with emotional states and provide complementary cues to facial micro-expressions for improved emotion recognition. These results demonstrate that MMA-82 serves as a comprehensive and challenging benchmark for realistic micro-action analysis and a valuable resource for human-centered AI. MMA-82 is available at https://lpynow.github.io/MMA-82-AIM/.

  • 6 authors
·
Jun 15

MatText: Do Language Models Need More than Text & Scale for Materials Modeling?

Effectively representing materials as text has the potential to leverage the vast advancements of large language models (LLMs) for discovering new materials. While LLMs have shown remarkable success in various domains, their application to materials science remains underexplored. A fundamental challenge is the lack of understanding of how to best utilize text-based representations for materials modeling. This challenge is further compounded by the absence of a comprehensive benchmark to rigorously evaluate the capabilities and limitations of these text representations in capturing the complexity of material systems. To address this gap, we propose MatText, a suite of benchmarking tools and datasets designed to systematically evaluate the performance of language models in modeling materials. MatText encompasses nine distinct text-based representations for material systems, including several novel representations. Each representation incorporates unique inductive biases that capture relevant information and integrate prior physical knowledge about materials. Additionally, MatText provides essential tools for training and benchmarking the performance of language models in the context of materials science. These tools include standardized dataset splits for each representation, probes for evaluating sensitivity to geometric factors, and tools for seamlessly converting crystal structures into text. Using MatText, we conduct an extensive analysis of the capabilities of language models in modeling materials. Our findings reveal that current language models consistently struggle to capture the geometric information crucial for materials modeling across all representations. Instead, these models tend to leverage local information, which is emphasized in some of our novel representations. Our analysis underscores MatText's ability to reveal shortcomings of text-based methods for materials design.

  • 3 authors
·
Jun 25, 2024

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

  • 3 authors
·
Jan 30, 2024

MatFormer: Nested Transformer for Elastic Inference

Transformer models are deployed in a wide range of settings, from multi-accelerator clusters to standalone mobile phones. The diverse inference constraints in these scenarios necessitate practitioners to train foundation models such as PaLM 2, Llama, & ViTs as a series of models of varying sizes. Due to significant training costs, only a select few model sizes are trained and supported, limiting more fine-grained control over relevant tradeoffs, including latency, cost, and accuracy. This work introduces MatFormer, a nested Transformer architecture designed to offer elasticity in a variety of deployment constraints. Each Feed Forward Network (FFN) block of a MatFormer model is jointly optimized with a few nested smaller FFN blocks. This training procedure allows for the Mix'n'Match of model granularities across layers -- i.e., a trained universal MatFormer model enables extraction of hundreds of accurate smaller models, which were never explicitly optimized. We empirically demonstrate MatFormer's effectiveness across different model classes (decoders & encoders), modalities (language & vision), and scales (up to 2.6B parameters). We find that a 2.6B decoder-only MatFormer language model (MatLM) allows us to extract smaller models spanning from 1.5B to 2.6B, each exhibiting comparable validation loss and one-shot downstream evaluations to their independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can further reduce inference latency.

  • 11 authors
·
Oct 11, 2023

Unveiling the Secret Recipe: A Guide For Supervised Fine-Tuning Small LLMs

The rise of large language models (LLMs) has created a significant disparity: industrial research labs with their computational resources, expert teams, and advanced infrastructures, can effectively fine-tune LLMs, while individual developers and small organizations face barriers due to limited resources. In this paper, we aim to bridge this gap by presenting a comprehensive study on supervised fine-tuning of LLMs using instruction-tuning datasets spanning diverse knowledge domains and skills. We focus on small-sized LLMs (3B to 7B parameters) for their cost-efficiency and accessibility. We explore various training configurations and strategies across four open-source pre-trained models. We provide detailed documentation of these configurations, revealing findings that challenge several common training practices, including hyperparameter recommendations from TULU and phased training recommended by Orca. Key insights from our work include: (i) larger batch sizes paired with lower learning rates lead to improved model performance on benchmarks such as MMLU, MTBench, and Open LLM Leaderboard; (ii) early-stage training dynamics, such as lower gradient norms and higher loss values, are strong indicators of better final model performance, enabling early termination of sub-optimal runs and significant computational savings; (iii) through a thorough exploration of hyperparameters like warmup steps and learning rate schedules, we provide guidance for practitioners and find that certain simplifications do not compromise performance; and (iv) we observed no significant difference in performance between phased and stacked training strategies, but stacked training is simpler and more sample efficient. With these findings holding robustly across datasets and models, we hope this study serves as a guide for practitioners fine-tuning small LLMs and promotes a more inclusive environment for LLM research.

  • 13 authors
·
Dec 17, 2024

ChemKED: a human- and machine-readable data standard for chemical kinetics experiments

Fundamental experimental measurements of quantities such as ignition delay times, laminar flame speeds, and species profiles (among others) serve important roles in understanding fuel chemistry and validating chemical kinetic models. However, despite both the importance and abundance of such information in the literature, the community lacks a widely adopted standard format for this data. This impedes both sharing and wide use by the community. Here we introduce a new chemical kinetics experimental data format, ChemKED, and the related Python-based package for validating and working with ChemKED-formatted files called PyKED. We also review past and related efforts, and motivate the need for a new solution. ChemKED currently supports the representation of autoignition delay time measurements from shock tubes and rapid compression machines. ChemKED-formatted files contain all of the information needed to simulate experimental data points, including the uncertainty of the data. ChemKED is based on the YAML data serialization language, and is intended as a human- and machine-readable standard for easy creation and automated use. Development of ChemKED and PyKED occurs openly on GitHub under the BSD 3-clause license, and contributions from the community are welcome. Plans for future development include support for experimental data from laminar flame, jet stirred reactor, and speciation measurements.

  • 2 authors
·
Jun 6, 2017

CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

Advances in graph machine learning (ML) have been driven by applications in chemistry as graphs have remained the most expressive representations of molecules. While early graph ML methods focused primarily on small organic molecules, recently, the scope of graph ML has expanded to include inorganic materials. Modelling the periodicity and symmetry of inorganic crystalline materials poses unique challenges, which existing graph ML methods are unable to address. Moving to inorganic nanomaterials increases complexity as the scale of number of nodes within each graph can be broad (10 to 10^5). The bulk of existing graph ML focuses on characterising molecules and materials by predicting target properties with graphs as input. However, the most exciting applications of graph ML will be in their generative capabilities, which is currently not at par with other domains such as images or text. We invite the graph ML community to address these open challenges by presenting two new chemically-informed large-scale inorganic (CHILI) nanomaterials datasets: A medium-scale dataset (with overall >6M nodes, >49M edges) of mono-metallic oxide nanomaterials generated from 12 selected crystal types (CHILI-3K) and a large-scale dataset (with overall >183M nodes, >1.2B edges) of nanomaterials generated from experimentally determined crystal structures (CHILI-100K). We define 11 property prediction tasks and 6 structure prediction tasks, which are of special interest for nanomaterial research. We benchmark the performance of a wide array of baseline methods and use these benchmarking results to highlight areas which need future work. To the best of our knowledge, CHILI-3K and CHILI-100K are the first open-source nanomaterial datasets of this scale -- both on the individual graph level and of the dataset as a whole -- and the only nanomaterials datasets with high structural and elemental diversity.

  • 6 authors
·
Feb 20, 2024

NanoVLMs: How small can we go and still make coherent Vision Language Models?

Vision-Language Models (VLMs), such as GPT-4V and Llama 3.2 vision, have garnered significant research attention for their ability to leverage Large Language Models (LLMs) in multimodal tasks. However, their potential is constrained by inherent challenges, including proprietary restrictions, substantial computational demands, and limited accessibility. Smaller models, such as GIT and BLIP, exhibit marked limitations, often failing to generate coherent and consistent text beyond a few tokens, even with extensive training. This underscores a pivotal inquiry: how small can a VLM be and still produce fluent and consistent text? Drawing inspiration from the exceptional learning process of 3-4 year old children, who rely heavily on visual cues for understanding and communication, we introduce two novel datasets: ShortDesc (featuring concise image descriptions) and LongDesc (containing more detailed image descriptions). These datasets consist of image-text pairs where the text is restricted to the simple vocabulary and syntax typically used by young children, generated with a scaled- down model, GPT-4o. Using these datasets, we demonstrate that it is possible to train VLMs that are significantly smaller, up to 10 times smaller than state of the art(SOTA) small VLMs while maintaining architectural simplicity. To evaluate the outputs, we leverage GPT-4o to grade the text, as if stories written by students, on creativity, meaningfulness, and consistency, assigning scores out of 10. This method addresses limitations of standard benchmarks by accommodating unstructured outputs and providing a multidimensional evaluation of the model capabilities. Our findings contribute to the development of lightweight, accessible multimodal models for resource constrained environments.

  • 5 authors
·
Feb 10, 2025

Generative Marginalization Models

We introduce marginalization models (MaMs), a new family of generative models for high-dimensional discrete data. They offer scalable and flexible generative modeling with tractable likelihoods by explicitly modeling all induced marginal distributions. Marginalization models enable fast evaluation of arbitrary marginal probabilities with a single forward pass of the neural network, which overcomes a major limitation of methods with exact marginal inference, such as autoregressive models (ARMs). We propose scalable methods for learning the marginals, grounded in the concept of "marginalization self-consistency". Unlike previous methods, MaMs support scalable training of any-order generative models for high-dimensional problems under the setting of energy-based training, where the goal is to match the learned distribution to a given desired probability (specified by an unnormalized (log) probability function such as energy function or reward function). We demonstrate the effectiveness of the proposed model on a variety of discrete data distributions, including binary images, language, physical systems, and molecules, for maximum likelihood and energy-based training settings. MaMs achieve orders of magnitude speedup in evaluating the marginal probabilities on both settings. For energy-based training tasks, MaMs enable any-order generative modeling of high-dimensional problems beyond the capability of previous methods. Code is at https://github.com/PrincetonLIPS/MaM.

  • 3 authors
·
Oct 19, 2023

ScaleMCP: Dynamic and Auto-Synchronizing Model Context Protocol Tools for LLM Agents

Recent advancements in Large Language Models (LLMs) and the introduction of the Model Context Protocol (MCP) have significantly expanded LLM agents' capability to interact dynamically with external tools and APIs. However, existing tool selection frameworks do not integrate MCP servers, instead relying heavily on error-prone manual updates to monolithic local tool repositories, leading to duplication, inconsistencies, and inefficiencies. Additionally, current approaches abstract tool selection before the LLM agent is invoked, limiting its autonomy and hindering dynamic re-querying capabilities during multi-turn interactions. To address these issues, we introduce ScaleMCP, a novel tool selection approach that dynamically equips LLM agents with a MCP tool retriever, giving agents the autonomy to add tools into their memory, as well as an auto-synchronizing tool storage system pipeline through CRUD (create, read, update, delete) operations with MCP servers as the single source of truth. We also propose a novel embedding strategy, Tool Document Weighted Average (TDWA), designed to selectively emphasize critical components of tool documents (e.g. tool name or synthetic questions) during the embedding process. Comprehensive evaluations conducted on a created dataset of 5,000 financial metric MCP servers, across 10 LLM models, 5 embedding models, and 5 retriever types, demonstrate substantial improvements in tool retrieval and agent invocation performance, emphasizing ScaleMCP's effectiveness in scalable, dynamic tool selection and invocation.

  • 5 authors
·
May 9, 2025

Agent Data Protocol: Unifying Datasets for Diverse, Effective Fine-tuning of LLM Agents

Public research results on large-scale supervised finetuning of AI agents remain relatively rare, since the collection of agent training data presents unique challenges. In this work, we argue that the bottleneck is not a lack of underlying data sources, but that a large variety of data is fragmented across heterogeneous formats, tools, and interfaces. To this end, we introduce the agent data protocol (ADP), a light-weight representation language that serves as an "interlingua" between agent datasets in diverse formats and unified agent training pipelines downstream. The design of ADP is expressive enough to capture a large variety of tasks, including API/tool use, browsing, coding, software engineering, and general agentic workflows, while remaining simple to parse and train on without engineering at a per-dataset level. In experiments, we unified a broad collection of 13 existing agent training datasets into ADP format, and converted the standardized ADP data into training-ready formats for multiple agent frameworks. We performed SFT on these data, and demonstrated an average performance gain of ~20% over corresponding base models, and delivers state-of-the-art or near-SOTA performance on standard coding, browsing, tool use, and research benchmarks, without domain-specific tuning. All code and data are released publicly, in the hope that ADP could help lower the barrier to standardized, scalable, and reproducible agent training.

  • 21 authors
·
Oct 28, 2025 1

FlexVAR: Flexible Visual Autoregressive Modeling without Residual Prediction

This work challenges the residual prediction paradigm in visual autoregressive modeling and presents FlexVAR, a new Flexible Visual AutoRegressive image generation paradigm. FlexVAR facilitates autoregressive learning with ground-truth prediction, enabling each step to independently produce plausible images. This simple, intuitive approach swiftly learns visual distributions and makes the generation process more flexible and adaptable. Trained solely on low-resolution images (leq 256px), FlexVAR can: (1) Generate images of various resolutions and aspect ratios, even exceeding the resolution of the training images. (2) Support various image-to-image tasks, including image refinement, in/out-painting, and image expansion. (3) Adapt to various autoregressive steps, allowing for faster inference with fewer steps or enhancing image quality with more steps. Our 1.0B model outperforms its VAR counterpart on the ImageNet 256times256 benchmark. Moreover, when zero-shot transfer the image generation process with 13 steps, the performance further improves to 2.08 FID, outperforming state-of-the-art autoregressive models AiM/VAR by 0.25/0.28 FID and popular diffusion models LDM/DiT by 1.52/0.19 FID, respectively. When transferring our 1.0B model to the ImageNet 512times512 benchmark in a zero-shot manner, FlexVAR achieves competitive results compared to the VAR 2.3B model, which is a fully supervised model trained at 512times512 resolution.

  • 9 authors
·
Feb 27, 2025

3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

  • 6 authors
·
Mar 12, 2025

xHC: Expanded Hyper-Connections

Hyper-Connections (HC) expand the residual stream of Transformers into N parallel streams, providing a form of memory scaling beyond model width and depth. Manifold-Constrained HC (mHC) stabilizes this formulation at scale. The large gains from N{=}1 to N{=}4 suggest residual-stream expansion as a promising scaling axis. However, existing HC-family methods typically stop at N{=}4. Our experiments reveal why: scaling mHC beyond this point yields diminishing performance gains and rapidly increasing training cost. We attribute this limitation to two bottlenecks: insufficient write-back information for an expanding number of streams and residual-mixing generation whose cost scales cubically with N. To address both bottlenecks, we propose xHC (Expanded Hyper-Connections), the first HC-family method to achieve meaningful expansion beyond N{=}4. xHC combines temporal feature augmentation for richer write-back with a sparse residual-stream architecture that updates only k=4 of the N=16 streams while retaining dense access to the full residual state. Across 18B and 28B MoE models, xHC delivers strong and consistent downstream improvements. On an 18B MoE model, xHC improves the average downstream score by 4.0 points over mHC, while adding only modest training FLOPs over the vanilla baseline. Scaling-law experiments show that the vanilla and mHC require 1.50times and 1.19times the compute of xHC, respectively, to reach the same loss. Practical large-N training also requires controlling memory traffic from the expanded residual state. We therefore introduce xHC-Flash, which reduces the per-sublayer memory traffic from 73.5C to 40C, comparable to the 34C required by mHC at N{=}4, while retaining the gains of full xHC. Together, xHC and xHC-Flash make large-N residual-stream expansion effective and practical for LLM pre-training.

dots-studio dots studio
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Jul 15 3

ElasWave: An Elastic-Native System for Scalable Hybrid-Parallel Training

Large-scale LLM pretraining now runs across 10^5--10^6 accelerators, making failures routine and elasticity mandatory. We posit that an elastic-native training system must jointly deliver (i) parameter consistency, (ii) low mean time to recovery (MTTR), (iii) high post-change throughput, and (iv) computation consistency. No prior system achieves all four simultaneously. To achieve these goals, we present ElasWave, which delivers per-step fault tolerance via multi-dimensional scheduling across graph, dataflow, DVFS, and RNG. ElasWave reshapes and reshards micro-batches while preserving the global batch size and gradient scale. It performs online pipeline resharding with asynchronous parameter migration and interleaves ZeRO partitions, reducing parameter recovery processes to disjoint rank-to-rank transfers. It further leverages DVFS to absorb pipeline bubbles and reshards RNG to keep computation consistency. Together, a dynamic communicator enables in-place communication group edits, while per-step in-memory snapshots support online verification and redistribution. We evaluate ElasWave on 96 NPUs and benchmark it against state-of-the-art baselines: throughput improves by 1.35times over ReCycle and 1.60times over TorchFT; communicator recovery completes within one second (up to 82times/3.6times faster than full/partial rebuilds); migration MTTR drops by as much as 51%; and convergence deviation is reduced by approximately 78%.

  • 19 authors
·
Oct 1, 2025

Scaling DoRA: High-Rank Adaptation via Factored Norms and Fused Kernels

Weight-Decomposed Low-Rank Adaptation (DoRA) extends LoRA by decoupling weight magnitude from direction, but its forward pass requires the row-wise norm of W + sBA, a computation that every major framework we surveyed implements by materializing the dense [d_out, d_in] product BA. At d_in = 8192 and rank r = 384, a single module's norm requires about 512 MB of transient working memory in bf16, making high-rank DoRA costly and often infeasible on common single-GPU setups once hundreds of adapted modules and checkpointing are involved. We present two systems contributions. A factored norm decomposes the squared norm into base, cross, and Gram terms computable through O(d_out r + r^2) intermediates, eliminating the dense product. Fused Triton kernels collapse the four-kernel DoRA composition into a single pass, reducing memory traffic by about 4x and using a numerically stable form that avoids catastrophic cancellation in the near-unity rescaling regime where magnitude scales concentrate in practice. Across six 8-32B vision-language models (VLMs) on three NVIDIA GPUs (RTX 6000 PRO, H200, B200) at r = 384 in bf16, the fused implementation is 1.5-2.0x faster than Hugging Face PEFT's DoRA implementation for inference and 1.5-1.9x faster for gradient computation (optimizer step excluded), with up to 7 GB lower peak VRAM. Microbenchmarks on six GPUs spanning four architecture generations (L40S, A100, RTX 6000 PRO, H200, B200, B300) confirm 1.5-2.7x compose-kernel speedup. Final-logit cosine similarity exceeds 0.9999 across all model/GPU pairs, and multi-seed training curves match within 7.1 x 10^-4 mean per-step loss delta over 2000 steps.

  • 2 authors
·
Mar 23 2

Rethinking Shrinkage Bias in LLM FP4 Pretraining: Geometric Origin, Systemic Impact, and UFP4 Recipe

FP4 training promises substantial reductions in memory and computation cost for LLM pretraining, yet current FP4 hardware paths and recipes, including NVIDIA Blackwell/Rubin-class systems and AMD MI350-series GPUs, remain centered on E2M1 data elements. In this study, we identify a fundamental limitation of that choice: non-uniform formats such as E2M1 inherently suffer from Shrinkage Bias, a systematic negative rounding error caused by the geometric asymmetry of their representable bins. We show that this bias accumulates multiplicatively across layers and is amplified by the Random Hadamard Transform (RHT), providing a unified explanation for the training instability observed in existing E2M1-based FP4 recipes. In contrast, uniform grids (E1M2/INT4) bypass this grid-geometry error and better convert the improved bucket utilization from RHT into higher quantization quality. Based on this finding, we propose UFP4, a uniform 4-bit training recipe that applies RHT to all three training GEMMs while restricting stochastic rounding to dY alone. On Dense 1.5B, MoE 7.9B, and MoE 124B long-run pretraining, UFP4 consistently achieves lower BF16-relative loss degradation than strong E2M1-based baselines, supported by scaling-law analysis and ablation studies. Our results suggest that future accelerators should support E1M2/INT4-style uniform 4-bit grids as first-class training primitives alongside E2M1.

inclusionAI inclusionAI
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Jun 17 3