ICML 2026 Papers

International Conference on Machine Learning

Decision breakdown

6,341papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Spotlight
    5368.5%
  • Poster
    5,80591.5%

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GRASP: Graph Reasoning via Agentic Solving and Probing of LLMs

Xiaojun Guo, Mingxue Tian, Chenheng Zhang, Xiaohan Wang, Jiajun Chai, Guojun Yin, Wei Lin, Yifei Wang, Yisen Wang

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Integrating graph knowledge into Large Language Models (LLMs) via passive representation faces critical bottlenecks: limited context windows, unreliable numerical computation, and structural hallucinations. To solve this, we propose **GRASP** (**G**raph **R**easoning via **A**gentic **S**olving and **P**robing), shifting the paradigm from passive ingestion to proactive agentic exploration. By interleaving Neighbor Retrieval for on-demand probing with Code Interpreter as a deterministic solver, GRASP enables LLMs to autonomously navigate and compute over complex topologies. We employ a staged reinforcement learning strategy (GRPO) that transitions from visible tuning to a structure-blind environment, forcing the agent to develop genuine topological awareness. Evaluated on multi-domain graph reasoning benchmarks, our 4B model achieves a 53.06% average performance boost, surpassing SOTA baselines like DeepSeek-V3.2 and successfully generalizing to unseen tasks, with high potential for tackling sampling on million-node graphs and solving Hard-level LeetCode graph problems. Our implementation is open-sourced at https://github.com/PKU-ML/GRASP, with models hosted on Huggingface collection https://huggingface.co/collections/PKU-ML/grasp.

Poster
Structured Diffusion Bridges: Inductive Bias for Denoising Diffusion Bridges

Eitan Kosman, Gabriele Serussi, Chaim Baskin

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Modality translation is inherently under-constrained, as multiple cross-modal mappings may yield the same marginals. Recent work has shown that diffusion bridges are effective for this task. However, most existing approaches rely on fully paired datasets, thereby imposing a single data-driven constraint. We propose a diffusion-bridge framework that characterizes the space of admissible solutions and restricts it via alignment constraints, treating paired supervision as an optional heuristic rather than a prerequisite. We validate our method on synthetic and real modality translation benchmarks across unpaired, semi-paired, and paired regimes, showing consistent performance across supervision levels. Notably, it achieves near fully-paired quality with a substantial relaxation in pairing requirements, and remaining applicable in the unpaired regime. These results highlight diffusion bridges as a flexible foundation for modality translation beyond fully paired data.

Poster
Learning to Reconfigure: Configuration-Control Co-optimization of Reconfigurable Robots for Heterogeneous Locomotion

Xiaoyu Xiong, Kehan Liu, Huiyi Yan, Shengjie Wang, Yang Gao, Tao Du

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Traditional robot co-design approaches typically converge to one configuration, which do not explore the flexibility from reconfiguration on heterogeneous environments. On the other hand, existing designs for reconfigurable robots require human-designed configurations. We present Learning to Reconfigure, a holistic pipeline for configuration-control co-optimization of reconfigurable robots in heterogeneous locomotion tasks consisting of several sub-tasks. Our pipeline proposes low-level specialized primitives with a high-level scheduler. To jointly optimize configuration design and control, our primitives employ a multi-tail architecture that disentangles these distinct objectives. Building on this, the scheduler learns to dynamically switch configurations based on global task progress. We evaluate our pipeline on locomotion tasks across walking, flying, and swimming, and compare with the state-of-the-art baselines, including single-robot control and multi-morphology co-optimization algorithms. Quantitative results based on traversal progress show that our pipeline outperforms single-robot baselines by 5.95x average progress. Compared with the reconfiguration-free design given by the co-design algorithms, our robots also exhibit 9.81x progress on average. These results highlight the critical role of configuration adaptation in achieving versatile robotic autonomy in complex worlds.

Poster
LLM-Guided Communication for Cooperative Multi-Agent Reinforcement Learning

Sangjun Bae, Yisak Park, Sanghyeon Lee, Seungyul Han

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Communication is a key component in multi-agent reinforcement learning (MARL) for mitigating partial observability, yet prior approaches often rely on inefficient information exchange or fail to transmit sufficient state information. To address this, we propose LLM-driven Multi-Agent Communication (LMAC), which leverages an LLM's reasoning capability to design a communication protocol that enables all agents to reconstruct the underlying state as accurately and uniformly as possible. LMAC iteratively refines the protocol using an explicit state-awareness criterion, improving state recovery while narrowing differences in agents' knowledge. Experiments on diverse MARL benchmarks show that LMAC improves state reconstruction across agents and yields substantial performance gains over prior communication baselines.

Poster
An In-Depth Study on Deep Learning Model Cloning

Bin Hu, Xiancong Pan, Dongjin Yu, Tianyi Hu

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Artificial intelligence has achieved remarkable breakthroughs in fields such as text, image, and video analysis, with deep learning serving as the mainstream paradigm. Trained deep learning models can be integrated into various applications either through fine-tuning or without any modification. While this practice promotes the advancement of artificial intelligence, it also raises concerns regarding intellectual property protection and information security risks. Therefore, it is necessary to propose relevant methods to measure the similarity between models. Existing code clone detection techniques are insufficient to address this issue. In this paper, we provide the first definition of model cloning and design a method for model similarity detection. The framework characterizes model topology at the structural level based on normalized computational graphs, and at the weight level, it employs a method that does not require explicit parameter alignment to measure the statistical similarity of weight parameters. Experiments on a synthetic model clone benchmark dataset and real-world open-source models demonstrate that the proposed method can accurately detect similar models. This method provides a unified and extensible quantitative foundation for model lineage analysis, model retrieval, and intellectual property protection of models.

Poster
Task-Aware Mechanism: Hybrid MoE Vision Tower Towards Holistic Video Understanding

Qishen Yin, Tanghui Jia, Peng Jin, Li Hao, Juntong Wu, Guanlin Lu, Li Yuan

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Should an LVLM use the same video processing pipeline for \emph{comprehending the main idea of a 2-hour movie} and \emph{counting the birds appearing in a 15-second clip}? We present Task-Aware Mechanism (TAM), a hybrid-gated Mixture-of-Experts (MoE) vision tower that adapts frame count and resolution to the user query and video length. TAM introduces a compact 0.1B text-only \emph{Inductor} trained on our TA-116K dataset to infer task types, enabling task-aware visual budgeting and routing: a soft-gated MoE vision encoder for stability, and hard-gated resolution-specific projectors/pipelines for efficient specialization. The explicit budget also separates task classification from downstream visual-language reasoning, making routing decisions easier to inspect and helping diagnose when fixed visual pipelines under-sample temporal or spatial evidence. Built on Qwen2-7B, TallVA-8B-A7B achieves state-of-the-art performance among models with comparable LLMs on most video benchmarks and remains competitive against stronger-LLM baselines, showing that task-aware visual budgeting makes video understanding more holistic.

Poster
Particles Don’t Care About Z: Towards Scaling Entropy Estimation of Unnormalized Densities

Safa Messaoud, Skander Charni, Elaa Bouazza, Ali Pourghasemi Fatideh, Halima Bensmail

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Computing the differential entropy of distributions known only up to a normalization constant is a fundamental challenge with broad theoretical and practical significance. While variational inference is highly scalable for density approximation from samples, its application to unnormalized densities remains under-explored due to the difficulty of constructing variational distributions that exploit the structure of the unnormalized density and are simultaneously expressive, tractable, efficiently samplable. Recently, Messaoud et al. (ICLR 24) introduced _P-SVGD_, a Stein variational inference method for this setting. We show, however, that \textit{P-SVGD} fails to scale to high dimensions due to incorrect invertibility assumptions, omission of a critical trace-of-Hessian term, and unstable divergence-control heuristics. We propose _MET-SVGD_, a principled extension of _P-SVGD_ that provides a general framework for stable _SVGD_ hyperparameter selection with global invertibility and convergence guarantees. Empirically, _MET-SVGD_ achieves up to $12\times$ and $16\times$ lower entropy estimation error than _P-SVGD_ and existing _SVGD_ baselines, respectively. On CIFAR-10 energy-based image generation, it improves FID by $80.4\%$ and yields $64\times$ higher training stability. In maximum-entropy reinforcement learning, it achieves up to $16\%$ higher returns than _P-SVGD_. Code is available at https://shorturl.at/fTG0G.

Poster
V-LynX: Token Interface Alignment for Video+X LLMs

Jungin Park, Jiyoung Lee, Kwanghoon Sohn

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This study introduces an intriguing phenomenon in Video LLMs: rather than merely translating frames into textual embeddings, Video LLMs establish a continuous manifold, token interface, allowing visual tokens to operate as standalone entities within the architecture. Exploiting this discovery, we propose V-LynX, a scalable framework that integrates novel modalities into Video LLMs by repurposing the internalized interface. Departing from conventional paradigms that necessitate heavy modality-specific encoders or paired supervision, V-LynX employs a lightweight auxiliary pathway in parallel with the frozen vision encoder. Our method integrates new sensory inputs with intrinsic video priors by aligning both attention responses and statistical distributions using unpaired unimodal data sets. This ensures manifold compatibility while preserving the integrity of the Video LLMs. Extensive benchmarks demonstrate that V-LynX achieves SOTA and efficiency across audio-visual QA, 3D reasoning, high-frame-rate, and multi-view video understanding. The code is available at https://github.com/park-jungin/lynx.

Poster
Telescope: Improving Zero Shot Detection of LLM Generated Content By Measuring Token Repetition Probability

Christopher Nassif, Joshua F. Cooper

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Distinguishing Large Language Model (LLM) generated text from human writing is a critical and difficult challenge. While LLMs are trained to write like humans, we hypothesize that this training leaves an indelible mark. LLMs develop a particularly strong aversion to token repetition very early in training. This bias persists as a ``Vestigial Heuristic'' (a developmental artifact) that is activated in LLM-generated text, separating LLM from human writing. To probe this phenomenon, we introduce Telescope Perplexity, a metric that evaluates the token repetition of the model, $P(s_i | s_{1:i})$. Our empirical investigation reveals that the Telescope Perplexity signature emerges early in pre-training, and Telescope Perplexity empirically enables highly effective zero-shot LLM detection. We show state-of-the-art or competitive performance across diverse datasets (including modern evaluation sets we introduce), reference models, and perturbation schemes with greater efficiency than other methods.

Poster
Beyond Euclidean Clipping: Overcoming Exploration Collapse in LLM RL via Riemannian Isometric Policy Optimization

Zhicheng Cai, Xinyuan Guo, Hanlin Wu, Mingxuan Wang, Wei-Ying Ma, Ya-Qin Zhang, Hao Zhou

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Reinforcement learning (RL) has become a dominant paradigm for enhancing LLMs' reasoning capabilities. However, RL algorithms with PPO-Clip are inherently limited by exploration collapse. Subsequent works remain primarily heuristic and fail to identify the essential cause of PPO-Clip’s failure. This work reveals the fundamental flaw of PPO-Clip: it implicitly measures policy discrepancy using Euclidean metric, which is theoretically inconsistent with the intrinsic geometry on the policy Riemannian manifold. This geometric mismatch results in overly conservative updates in low-probability regions while aggressive in high-probability regions, ultimately collapsing exploration. To correct this geometric flaw, we propose Riemannian Isometric Policy Optimization (RIPO), which guarantees isometric policy updates on the Riemannian manifold, effectively balancing exploration and exploitation. We further show that RIPO achieves a favorable bias-variance trade-off, which stabilizes optimization. Extensive experiments demonstrate that RIPO significantly surpasses existing LLM RL algorithms across seven competition-level benchmarks (up to 60% improvement over GRPO on AIME24).

Poster
VBA: Vector Bundle Attention for Intrinsically Geometric Representation Learning

Shenglei Fang, Xianfang Sun, You Zhou

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Learning from geometrically structured data is central to applications in biology, physics, and computer vision. In many tasks, meaningful comparisons depend on how features are aligned in space. Graph Neural Networks capture local structure but are constrained by message passing. Transformers model long-range dependencies but largely ignore geometry. We introduce the Vector Bundle Attention Transformer (VBA-Transformer), a framework that redefines attention as an intrinsic geometric operator. Each token couples a base manifold coordinate with a fiber feature vector, following vector bundle theory. A principled parallel transport mechanism aligns fiber features across local coordinate systems before similarity is computed. This embeds geometry directly into the attention operator. Unlike prior methods that inject geometry as an external bias or positional encoding, VBA integrates geometry natively inside attention. On challenging single-cell RNA sequencing benchmarks, VBA achieves state-of-the-art accuracy, outperforming Transformer baselines by over 3--5\%. On spatial transcriptomics, it demonstrates superior clustering performance. On 3D point clouds, it achieves competitive accuracy, validating broad generalization across domains. Beyond empirical gains, we provide theoretical analysis of invariance and perturbation stability. We also demonstrate robust transport behavior empirically. Together, these results establish intrinsic geometric alignment as a powerful principle for scalable representation learning.

Poster
Toward Scalable and Valid Conditional Independence Testing with Spectral Representations

Alek Fröhlich, Vladimir R Kostic, Karim Lounici, Daniel Perazzo, Daniel Guimarães Tiezzi, Massimiliano Pontil

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Conditional independence (CI) is central to causal inference, feature selection, and graphical modeling, yet it is untestable in many settings without additional assumptions. Existing CI tests often rely on restrictive structural conditions, limiting their validity. Kernel methods using partial covariance operators offer a more principled approach but suffer from limited adaptivity and scalability. In this work, we explore whether representation learning can help address these limitations. Specifically, we focus on representations derived from the singular value decomposition of partial covariance operators and use them to construct a simple test statistic. We also introduce a bi-level contrastive algorithm to learn these representations. Our theory links representation learning error to test performance and establishes asymptotic validity and power guarantees. Experiments on real and synthetic data suggest that this approach offers a principled and statistically grounded path toward scalable CI testing, bridging kernel-based theory with modern representation learning.

Poster
Convex Distance Operator Transport: A Convex and Geometry-Preserving Formulation

Junhyoung Chung, Euijong Song, Won Hwa Kim, Gunwoong Park

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We introduce Convex Distance Operator Transport (CDOT), the first convex optimal transport framework that aligns distributions across heterogeneous domains by jointly preserving feature correspondence and intrinsic geometric structure. Specifically, CDOT employs an operator-based regularization that aligns aggregated distance structures by introducing distance and conditional expectation operators. Consequently, the proposed regularization improves the robustness to local geometric variations. We further prove that the resulting CDOT discrepancy is a valid pseudometric on the space of attributed compact metric-measure spaces. In addition, we characterize the relationship between CDOT and Gromov--Wasserstien (GW) through a new notion of dispersion gap, formally elucidating the geometric source of non-convexity in GW compared to the convexity of CDOT. In the finite-sample regime, we derive a non-asymptotic risk bound decomposed into optimization and statistical errors, establishing risk consistency under a globally convergent Frank--Wolfe algorithm. Experiments on synthetic point clouds, brain connectomes, and graph classification benchmarks demonstrate better performance over existing methods, with stable and reliable behavior in practice.

Poster
Evaluating LLMs When They Do Not Know the Answer: Statistical Evaluation of Mathematical Reasoning via Comparative Signals

Zihan Dong, Zhixian Zhang, Yang Zhou, Can Jin, Ruijia Wu, Linjun Zhang

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Evaluating mathematical reasoning in LLMs is constrained by limited benchmark sizes and inherent model stochasticity, yielding high-variance accuracy estimates and unstable rankings across platforms. On difficult problems, an LLM may fail to produce a correct final answer, yet still provide reliable pairwise comparison signals indicating which of two candidate solutions is better. We leverage this observation to design a statistically efficient evaluation framework that combines standard labeled outcomes with pairwise comparison signals obtained by having models judge auxiliary reasoning chains. Treating these comparison signals as control variates, we develop a semiparametric estimator based on the efficient influence function (EIF) for the setting where auxiliary reasoning chains are observed. This yields a one-step estimator that achieves the semiparametric efficiency bound, guarantees strict variance reduction over naive sample averaging, and admits asymptotic normality for principled uncertainty quantification. Across simulations, our one-step estimator substantially improves ranking accuracy, with gains increasing as model output noise grows. Experiments on GPQA Diamond, AIME 2025, and GSM8K further demonstrate more precise performance estimation and more reliable model rankings, especially in small-sample regimes where conventional evaluation is pretty unstable.

Poster
Covariance estimation using Markov chain Monte Carlo

Yunbum Kook, Matthew Shunshi Zhang

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We investigate the complexity of covariance matrix estimation for Gibbs distributions based on dependent samples from a Markov chain. We show that when $π$ satisfies a Poincaré inequality and the chain possesses a spectral gap, we can achieve similar sample complexity using MCMC as compared to an estimator constructed using i.i.d. samples, with potentially much better query complexity. As an application of our methods, we show improvements for the query complexity in both constrained and unconstrained settings for concrete instances of MCMC. In particular, we provide guarantees regarding isotropic rounding procedures for sampling uniformly on convex bodies.

Poster
Why ReLU? A Bit-Model Dichotomy for Deep Network Training

Ilan Doron-Arad, Elchanan Mossel

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Theoretical analyses of Empirical Risk Minimization (ERM) are standardly framed within the Real-RAM model of computation. In this setting, training even simple neural networks is known to be $\exists \mathbb{R}$-complete - a complexity class believed to be harder than NP, characterizing the difficulty of solving systems of polynomial inequalities over the real numbers. However, this algebraic framework diverges from the reality of digital computation with finite-precision hardware. In this work, we analyze the theoretical complexity of ERM under a realistic bit-level model (ERM-bit), where network parameters and inputs are constrained to be rational numbers with polynomially bounded bit-lengths. Under this model, we reveal a sharp dichotomy in tractability governed by the activation function: for deep networks with any polynomial activation with rational coefficients and degree at least $2$, deciding ERM-bit is #P-hard, determining the sign of a single partial derivative is unlikely to be in BPP, and deciding a specific bit in the gradient is #P-hard. In contrast, for piecewise-linear activations such as ReLU, precision requirements remain manageable: ERM-bit is in NP, indeed NP-complete, and standard backpropagation runs in polynomial time, showing that finite-precision constraints are not merely implementation details but fundamental determinants of learnability.

Poster
GRPO is Secretly a Process Reward Model

Michael Sullivan, Alexander Koller

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Process reward models (PRMs) allow for fine-grained credit assignment in reinforcement learning (RL), and seemingly contrast with outcome reward models (ORMs), which assign a single reward to an entire trajectory. However, we provide theoretical proof in this work that the Group Relative Policy Optimization (GRPO) RL algorithm equipped with an ORM is in fact equivalent to a PRM-aware RL objective equipped with a non-trivial, Monte-Carlo-based PRM (given mild assumptions). Leveraging the framework of GRPO-as-a-PRM, we identify a flaw in the GRPO objective that interacts with imbalanced process steps and rewards to hinder both exploration and exploitation (under different conditions). We propose a simple modification to the algorithm to mitigate this defect ($\lambda$-GRPO), and show that LLMs tuned with $\lambda$-GRPO outperform LLMs tuned with standard GRPO on downstream reasoning tasks$\textemdash$and reach peak performance more rapidly. These results show that we can leverage the hidden, built-in PRM structure within the vanilla GRPO algorithm to boost model performance without employing an explicit PRM, and with a negligible impact on training time and cost.

Poster
Stop the Flip-Flop: Context-Preserving Verification for Fast Revocable Diffusion Decoding

Yanzheng Xiang, Lan Wei, Yizhen Yao, Qinglin Zhu, Hanqi Yan, Chen Jin, Philip Alexander Teare, Dandan Zhang, Lin Gui, Amrutha Saseendran, Yulan He

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Parallel diffusion decoding can accelerate diffusion language model inference by unmasking multiple tokens per step, but aggressive parallelism often harms quality. Revocable decoding mitigates this by rechecking earlier tokens, yet we observe that existing verification schemes frequently trigger flip-flop oscillations, where tokens are remasked and later restored unchanged. This behaviour slows inference in two ways: remasking verified positions weakens the conditioning context for parallel drafting, and repeated remask cycles consume the revision budget with little net progress. We propose COVER (Cache Override Verification for Efficient Revision), which performs leave-one-out verification and stable drafting within a single forward pass. COVER constructs two attention views via KV cache override: selected seeds are masked for verification, while their cached key value states are injected for all other queries to preserve contextual information, with a closed form diagonal correction preventing self leakage at the seed positions. COVER further prioritises seeds using a stability aware score that balances uncertainty, downstream influence, and cache drift, and it adapts the number of verified seeds per step. Across benchmarks, COVER markedly reduces unnecessary revisions and yields faster decoding while preserving output quality.

Poster
Revisiting OOD Generalization in Programmatic RL

Amirhossein Rajabpour, Kiarash Aghakasiri, Sandra Zilles, Levi Lelis

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Programmatic policies are often reported to generalize better than neural policies in reinforcement learning (RL) benchmarks. We revisit some of these claims and show that much of the observed gap arises from uncontrolled experimental factors rather than intrinsic representational reasons. Re-evaluating three core benchmarks used in influential papers---TORCS, Karel, and Parking---we find that neural policies, when trained with a few modifications, such as sparse observations and cautious intrinsic reward functions, can match or exceed the out-of-distribution (OOD) generalization of programmatic policies. We argue that a representation enables OOD generalization if (i) the policy space it induces includes a generalizing policy and (ii) the search algorithm can find it. The neural and programmatic policies in prior work are comparable in OOD generalization because the domain-specific languages used induce policy spaces similar to those of neural networks, and our modifications help the gradient search find generalizing solutions. By disentangling representational factors from experimental confounds, we advance our understanding of what makes a representation succeed or fail at OOD generalization.

Poster
Advantage Weighted Matching: Aligning RL with Pretraining in Diffusion Models

Shuchen Xue, Chongjian GE, Shilong Zhang, Yichen Li, Zhi-Ming Ma

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Reinforcement Learning (RL) has emerged as a central paradigm for advancing Large Language Models (LLMs), where both pre-training and RL post-training stages are grounded in the same log-likelihood formulation. In contrast, recent RL approaches for diffusion models, most notably Denoising Diffusion Policy Optimization (DDPO), optimize an objective different from the pretraining objectives--score/flow matching loss. In this work, we establish a novel theoretical analysis: DDPO is an implicit form of score/flow matching with noisy targets, which increases variance and slows convergence. Building on this analysis, we introduce \textbf{Advantage Weighted Matching (AWM)}, a policy-gradient method for diffusion. It uses the score/flow-matching loss and reweights each sample by its advantage. In effect, AWM raises the influence of high-reward samples and suppresses low-reward ones while keeping the modeling objective identical to pretraining. This simple yet effective design yields substantial benefits: on the GenEval, OCR, and PickScore benchmarks, AWM delivers up to a $\mathbf{34}\times$ speedup over Flow-GRPO (which builds on DDPO), when applied to Stable Diffusion 3.5 Medium and FLUX, without compromising generation quality. Code is available at \url{https://github.com/scxue/advantage_weighted_matching}.

Poster