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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OpenMAG: A Comprehensive Benchmark for Multimodal-Attributed Graph

Chenxi Wan, Xunkai Li, Yilong Zuo, Haokun Deng, Sihan Li, Bowen Fan, Hongchao Qin, Rong-Hua Li, Guoren Wang

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Multimodal-Attributed Graph (MAG) learning has achieved remarkable success in modeling complex real-world systems by integrating graph topology with rich attributes from multiple modalities. With the rapid proliferation of novel MAG models capable of handling intricate cross-modal semantics and structural dependencies, establishing a rigorous and unified evaluation standard has become imperative. Although existing benchmarks have facilitated initial progress, they exhibit critical limitations in *domain coverage*, *encoder flexibility*, *model diversity*, and *task scope*, presenting significant challenges to fair evaluation. To bridge this gap, we present OpenMAG, a comprehensive benchmark that integrates 19 datasets across 6 domains and incorporates 16 encoders to support both static and trainable feature encoding. OpenMAG further implements a standardized library of 24 state-of-the-art models and supports 8 downstream tasks, enabling fair comparisons within a unified framework. Through systematic assessment of necessity, data quality, effectiveness, robustness, and efficiency, we derive 14 fundamental insights into MAG learning to guide future advancements. Our code is available at https://github.com/YUKI-N810/OpenMAG.

Poster
Latent Forcing: Reordering the Diffusion Trajectory for Pixel-Space Image Generation

Alan Baade, Eric Ryan Chan, Kyle Sargent, Changan Chen, Justin Johnson, Ehsan Adeli, Li Fei-Fei

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Latent diffusion models excel at generating high-quality images but lose the benefits of end-to-end modeling. They discard information during image encoding, require a separately trained decoder, and model an auxiliary distribution to the raw data. In this paper, we propose Latent Forcing, a simple modification to existing architectures that achieves the efficiency of latent diffusion while operating on raw natural images. Our approach orders the denoising trajectory by jointly processing latents and pixels with separately tuned noise schedules. This allows the latents to act as a scratchpad for intermediate computation before high-frequency pixel features are generated. We find that the order of conditioning signals is critical, and we analyze this to explain differences between REPA distillation in the tokenizer and the diffusion model, as well as conditional and unconditional generation. Applied to pixel-space diffusion on ImageNet, Latent Forcing achieves a new state of the art for diffusion transformer-based pixel generation at our compute scale. Code and checkpoints at https://github.com/AlanBaade/LatentForcing

Poster
Function-Valued Causal Influence in Nonlinear Time Series

Valentina V. Kuskova, Dmitry Zaytsev, Michael Coppedge

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Causal discovery in time series is increasingly performed using nonlinear machine-learning models, yet the resulting causal relationships are almost always summarized by scalar edge scores. We argue that this practice obscures the true object learned by nonlinear autoregressive models: a state-dependent function whose effect varies across regimes, magnitudes, and contexts. We formalize function-valued causal influence for additive, contribution-decomposable architectures and show that scalar causal scores constitute a severe information bottleneck, conflating between-state variation with within-state residual noise. Using Neural Additive Vector Autoregression as a representative architecture, we introduce a practical framework based on Individual Conditional Expectation for estimating causal response functions directly from trained models. Through controlled synthetic experiments, we demonstrate that edges with indistinguishable scalar scores can exhibit qualitatively different functional behaviors, including monotonic, thresholded, saturating, and sign-changing effects. An applied case study on democratic development further shows that function-valued analysis reveals regime-specific and asymmetric causal structure systematically missed by score-centric approaches.

Poster
Focus and Dilution: The Multi-stage Learning Process of Attention

Zheng-An Chen, Pengxiao Lin, Zhi-Qin John Xu, Tao Luo

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Transformer-based models have achieved remarkable success across a wide range of domains, yet our understanding of their training dynamics remains limited. In this work, we identify a recurrent focus–dilution cycle in attention learning and provide a rigorous explanation in a one-layer Transformer setting for Markovian data via gradient-flow analysis. Using stage-wise linearization around critical points, we show that a single focus–dilution cycle can be decomposed into a sequence of distinct stages. First, embedding and projection rapidly condense to a rank-one structure, while attention parameters remain effectively frozen. Then, the attention parameters begin to increase, inducing a frequency-driven focus toward high-frequency tokens. As attention continues to evolve, it generates next-order perturbations in embeddings, leading to a mass-redistribution mechanism that progressively dilutes this focus. Finally, small asymmetries among low-frequency tokens lift a degenerate critical point, opening new embedding directions and initiating the next cycle. Experiments on synthetic Markovian data as well as WikiText and TinyStories corroborate the predicted stages and cyclical dynamics.

Spotlight
Autoregression with Self-Token Prediction

Dengsheng Chen, Yangming Shi, Enhua Wu

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Conventional autoregressive models achieve causality through next-token prediction, but suffer from prohibitive latency and typically underperform non-causal alternatives such as masked prediction and diffusion. We propose self-token prediction, which enables predicting a flexible number of tokens per step, and introduce SAR, the first spatially autoregressive image generator built on this paradigm. SAR delivers markedly faster inference speeds and consistently outperforms prior autoregressive baselines, achieving performance on par with state-of-the-art non-causal models. Our findings highlight self-token prediction as a crucial step toward a high-quality autoregressive paradigm for visual generation.

Poster
Dynamic Stratified Contrastive Learning with Upstream Augmentation for MILP Branching

Tongkai Lu, Shuai Ma, Chongyang Tao

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Mixed Integer Linear Programming (MILP) is a fundamental NP-hard problem that has garnered significant attention from both academia and industry. The Branch-and-Bound (B&B) algorithm is the dominant approach for solving MILPs, where branching decisions play a critical role and have recently been enhanced by neural methods. However, these methods still struggle with semantic variation across depths, the scarcity of upstream nodes, and the costly collection of strong branching samples. To address these issues, we propose SC-MILP, a Dynamic Stratified Contrastive Training Framework for MILP Branching. Our method groups B&B nodes based on their feature distributions and learns depth-aware, fine-grained node representations through dynamic stratified contrastive training. To address data scarcity and imbalance at upstream nodes, we introduce an upstream-augmented MILP derivation procedure that generates both theoretically equivalent and perturbed instances. Experiments on both synthetic and real-world MILP benchmarks, including large-scale instances, show that SC-MILP significantly improves branching accuracy, reduces solving time, with particularly strong gains at upstream nodes.

Spotlight
VR-Thinker: Boosting Multimodal Reward Models through Think with Image Reasoning

Qunzhong Wang, Jie Liu, Jiajun Liang, Yuanxing Zhang, Yilei JIANG, Yaozhi ZHENG, Xintao Wang, Pengfei Wan, Xiangyu Yue, Jiaheng Liu

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Recent advancements in multimodal reward models (RMs) have substantially improved post-training for visual generative models. However, current RMs face inherent limitations: **(1)** visual inputs consume large context budgets, forcing fewer frames and causing a loss of details; and **(2)** all visual information is packed into the initial prompt, exacerbating forgetting during chain-of-thought reasoning. To overcome these issues, we introduce **VR-Thinker**, a thinking-with-image RM equipped with visual reasoning operation and a configurable visual memory window. This allows the RM to actively acquire visual evidence, improving reasoning fidelity and reliability. We activate visual reasoning via a reinforcement fine-tuning pipeline: **(i)** **Cold Start** with curated visual chain-of-thought data to distill basic operation formatting; **(ii)** select samples with correct judgments, then conduct **Rejection sampling Fine-Tuning** on these high-quality traces to further enhance reasoning; and **(iii)** apply **Group Relative Policy Optimization** (GRPO) to strengthen reasoning. Our approach delivers state-of-the-art accuracy among open-source models on video preference benchmarks: a 7B **VR-Thinker** achieves 80.5\% on VideoGen Reward, 82.3\% on GenAI-Bench, and 75.6\% on MJ-Bench-Video.

Poster
Data Difficulty and the Generalization–Extrapolation Tradeoff in LLM Fine-Tuning

Siyuan Liu, Tinghong Chen, Xinghan Li, Yifei Wang, Jingzhao Zhang

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Data selection during supervised fine-tuning (SFT) can critically change the behavior of large language models (LLMs). Although existing work has studied the effect of selecting data based on heuristics such as perplexity, difficulty, or length, the reported findings are often inconsistent or context-dependent. In this work, we systematically study the role of data difficulty in fine-tuning from both empirical and theoretical perspectives, and find that there is no universally optimal difficulty level; rather, its effectiveness depends on the dataset size. We show that for a fixed data budget, there exists an optimal data difficulty for SFT, and that this optimal difficulty shifts toward harder data as the data budget increases. To explain this phenomenon, we conduct controlled synthetic experiments that reveal a simple underlying mechanism: the interplay between the (in-distribution) generalization gap and the extrapolation gap. We further support this mechanism through a theoretical analysis using PAC-Bayesian generalization bounds. Overall, our results clarify how data size and difficulty jointly affect the trade-off between generalization and extrapolation in SFT, providing guidance for difficulty-based data selection under certain model and data conditions.

Poster
Distribution Alignment for One-Shot Federated Learning via Optimal Transport

Daniele Berardini, Vito Paolo Pastore, Vittorio Murino

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One-Shot Federated Learning (OSFL) addresses extreme communication regimes in which clients interact with the server only once, amplifying the impact of heterogeneous client data distributions. In particular, the interaction of domain shift and label shift across clients induces misaligned feature representations that cannot be corrected through iterative optimization. Existing OSFL methods rely on distillation, server-side generation or ensemble-based aggregation, but assume aligned representations or address domain and label shift separately. We introduce SLOT-Align (Single-round, Learning-free Optimal Transport Alignment), a geometry-aware feature harmonization framework for OSFL. SLOT-Align uses a shared frozen encoder to extract compact feature statistics, constructs a global reference via Bures–Wasserstein barycenters, and aligns local representations using closed-form geodesic optimal transport maps. The method is computationally efficient and can be combined with existing OSFL pipelines relying on frozen encoders without modifying their training procedures. Extensive experiments across multiple benchmarks, pretrained backbones, and OSFL methods show that SLOT-Align consistently improves accuracy and robustness under joint domain and label shift.

Poster
SWING: Unlocking Implicit Graph Representations for Graph Random Features

Alessandro Manenti, Kumar Avinava Dubey, Arijit Sehanobish, Cesare Alippi, Krzysztof Marcin Choromanski

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We propose SWING: Space Walks for Implicit Network Graphs, a new class of algorithms for computations involving Graph Random Features on graphs given by implicit representations (i-graphs), where edge-weights are defined as bi-variate functions of feature vectors in the corresponding nodes. Those classes of graphs include several prominent examples, such as: *$\epsilon$-neighborhood* graphs, used on regular basis in machine learning. Rather than conducting walks on graphs' nodes, those methods rely on walks in continuous spaces, in which those graphs are embedded. To accurately and efficiently approximate original combinatorial calculations, SWING applies customized Gumbel-softmax sampling mechanism with linearized kernels, obtained via random features coupled with importance sampling techniques. This mechanism is of its own interest. SWING relies on the deep connection between implicitly defined graphs and Fourier analysis, presented in this paper. SWING is accelerator-friendly and does not require input graph materialization. We provide detailed analysis of SWING and complement it with thorough experiments on different classes of i-graphs.

Spotlight
PETS: A Principled Framework Towards Optimal Trajectory Allocation for Efficient Test-Time Self-Consistency

Zhangyi Liu, Huaizhi Qu, Xiaowei Yin, He Sun, Yanjun Han, Tianlong Chen, Zhun Deng

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Test-time scaling can improve model performance by aggregating stochastic reasoning trajectories. However, achieving sample-efficient test-time self-consistency under a limited budget remains an open challenge. We introduce PETS (**P**rincipled and **E**fficient **T**est-Time **S**elf-Consistency), which initiates a principled study of trajectory allocation through an optimization framework. Central to our approach is the *self-consistency rate*}, a new measure defined as agreement with the infinite-budget majority vote. This formulation makes sample-efficient test-time allocation theoretically grounded and amenable to rigorous analysis. We study both offline and online settings. In the offline regime, where all questions are known in advance, we connect trajectory allocation to crowdsourcing, a classic and well-developed area, by modeling reasoning traces as workers. This perspective allows us to leverage rich existing theory, yielding theoretical guarantees and an efficient majority-voting-based allocation algorithm. In the online streaming regime, where questions arrive sequentially and allocations must be made on the fly, we propose a novel method inspired by the offline framework. Our approach adapts budgets to question difficulty while preserving strong theoretical guarantees and computational efficiency. Experiments show that PETS consistently outperforms uniform allocation. On GPQA, PETS achieves perfect self-consistency in both settings while reducing the sampling budget by up to $75\\%$ (offline) and $55\\%$ (online) relative to uniform allocation.

Poster
Dynamic Fractal Mamba: A Neural Renormalization Group Flow for Scale-Invariant Sequence Modeling

Shenglei Fang, Xianfang Sun, You Zhou

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Sequence models typically operate at a fixed temporal or spatial scale and struggle to generalize to substantially longer horizons or higher resolutions without retraining. Existing hierarchical architectures expand receptive fields but rely on scale-specific parameters and lack mechanisms to enforce consistent dynamics across scales. We propose Dynamic Fractal Mamba (DF-Mamba), a recursive state-space model that applies a single shared operator across multiple scales. By sharing parameters across recursion depths and exponentially scaling the effective time step, DF-Mamba achieves an exponentially expanding receptive field while preserving linear computational complexity. A learned content-aware coarse-graining module aggregates representations across scales. Auxiliary reconstruction and cross-scale consistency objectives stabilize recursive training. We evaluate DF-Mamba on long-range time-series forecasting, spatial transcriptomics, and computational pathology. Across all tasks, DF-Mamba consistently outperforms Transformers and flat Mamba baselines while using fewer parameters and maintaining linear-time scalability. Importantly, models trained on short sequences or low-resolution inputs generalize in a zero-shot manner to substantially larger temporal and spatial scales unseen during training. These results demonstrate that recursive parameter sharing provides an effective inductive bias for learning scale-consistent and efficient sequence representations.

Poster
Polyphonia: Zero-Shot Timbre Transfer in Polyphonic Music with Acoustic-Informed Attention Calibration

Haowen Li, Tianxiang Li, Yi Yang, Boyu Cao, Qi Liu

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The advancement of diffusion-based text-to-music generation has opened new avenues for zero-shot music editing. However, existing methods fail to achieve stem-specific timbre transfer, which requires altering specific stems while strictly preserving the background accompaniment. This limitation severely hinders practical application, since real-world production necessitates precise manipulation of components within dense mixtures. Our key finding is that, while vanilla cross-attention captures semantic features of stems, it lacks the spectral resolution to strictly localize targets in dense mixtures, leading to boundary leakage. To resolve this dilemma, we propose *Polyphonia*, a zero-shot editing framework with Acoustic-Informed Attention Calibration. Rather than relying solely on diffuse semantic attention, Polyphonia leverages a probabilistic acoustic prior to establish coarse boundaries, enabling non-target stems preserved precise semantic synthesis. For evaluation, we propose *PolyEvalPrompts*, a standardized prompt set with 1,170 timbre transfer tasks in polyphonic music. Specifically, *Polyphonia* achieves an increase of 15.5% in target alignment compared to baselines, while maintaining competitive music fidelity and non-target integrity.

Poster
Opt-Verifier: Unleashing the Power of LLMs for Optimization Modeling via Dual-Side Verification

Haoyang Liu, Jie Wang, Boxuan Niu, Xiongwei Han, Yian Xu, Mingxuan Ye, Zijie Geng, Fangzhou Zhu, Tao Zhong, Mingxuan Yuan, Jianye Hao

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Building mathematical optimization models is critical in operations research (OR), while it requires substantial human expertise. Recent advancements have utilized large language models (LLMs) to automate this modeling process. However, existing works often struggle to verify the correctness of the generated optimization models, without checking the rationality of the constraints and variables or the validity of solutions to the generated models. This hampers the subsequent verification and correction steps, and thus it severely hurts the modeling accuracy. To address this challenge, we propose a novel LLM-based framework with Dual-side Verification (OptiVer) from both structure and solution perspectives, thereby improving the modeling accuracy. The structure-side verification ensures that the modeling structure of the generated optimization models aligns with the original problem description, accurately capturing the problem's constraints and requirements. Meanwhile, the solution-side verification interprets and evaluates the validity of the solutions, confirming that the optimization models are logically and mathematically sound. Extensive experiments on several popular benchmarks demonstrate that our approach significantly outperforms the state-of-the-art, achieving over 20\% improvement in accuracy.

Poster
Toward Calibrated Mixture-of-Experts Under Distribution Shift

Gina Wong, Drew Prinster, Suchi Saria, Rama Chellappa, Anqi Liu

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Calibration aligns a model's predictive uncertainty with the frequencies of its empirical outcomes and is important for understanding and trusting reported probabilities. Recent work shows that enforcing calibration at the level of individual predictors can improve ensemble accuracy and calibration, with mixture-of-experts (MoE) models showing strong empirical improvements in particular; however, the conditions under which calibration helps MoE are not well understood. In this work, we study how MoE models behave under distribution shift, focusing on how routing mechanisms interact with expert-level calibration. We show that expert calibration is sufficient to ensure calibration of the overall model under a broad class of distribution shifts in hard-routed models, but is insufficient for calibrating soft-routed models. To address this, we propose an adversarial reweighting that penalizes calibration errors of the routed aggregate under distribution shift, and we demonstrate that it improves the accuracy-calibration tradeoff both on average and on difficult subsets of the data, across model classes, prediction tasks, and distribution shifts.

Poster
TaskLoom: Weaving Knowledge Across Tasks in World Models

Qingzhang Zeng, Peixi Peng, Hang Li, Luntong Li, Yonghong Tian

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World models have significantly improved the sample efficiency of model-based reinforcement learning (MBRL) by enabling policy learning in imagination, thereby reducing the need for direct interaction with the real environment. However, most existing world model methods are trained independently for each task or perform multi-task learning using offline datasets, failing to fully exploit the latent relationships among tasks in online interactive scenarios. To address this limitation, we propose TaskLoom, a knowledge-sharing world model architecture for online RL. TaskLoom adopts a grouped two-stage training paradigm: first, the tasks are divided into several groups based on the similarity of world model gradients, and fine-grained knowledge is shared among tasks within each group; second, coarse-grained knowledge is exchanged across groups, enabling hierarchical knowledge transfer and reuse. Experimental results show that TaskLoom outperforms baseline methods on widely used benchmarks such as Proprio Control, Visual Control and Meta-World, validating the effectiveness of the proposed knowledge-sharing mechanism for both low-dimensional state and high-dimensional visual inputs.

Poster
Corruption-Tolerant Asynchronous Q-Learning with Near-Optimal Rates

Sreejeet Maity, Aritra Mitra

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We study the problem of learning the optimal policy in a discounted, infinite-horizon reinforcement learning (RL) setting in the presence of adversarially corrupted rewards. To address this problem, we develop a novel robust variant of the Q-learning algorithm and analyze it under the challenging asynchronous sampling model with time-correlated data. Despite corruption, we prove that the finite-time guarantees of our approach match existing bounds, up to an additive term that scales with the fraction of corrupted samples. We also establish an information-theoretic lower bound, revealing that our guarantees are near-optimal. Notably, our algorithm is agnostic to the underlying reward distribution and provides the first finite-time robustness guarantees for asynchronous Q-learning. A key element of our analysis is a refined Azuma-Hoeffding inequality for almost-martingales, which may have broader applicability in the study of RL algorithms.

Poster
Diffusion Models Are Statistically Optimal for Learning Low-Dimensional Multi-Modal Distributions

Jingda Wu, Changxiao Cai

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Score-based diffusion models have demonstrated remarkable empirical success in learning high-dimensional distributions, particularly those exhibiting low-dimensional and multi-modal structures. However, theoretical understanding of their statistical efficiency remains limited. Existing theories typically rely on strong regularity assumptions, such as uniformly bounded densities or globally smooth score functions, which fail to capture such intrinsic structures. In this work, we study the sample complexity of diffusion models for learning distributions supported on a union of low-dimensional subspaces. Assuming that the data distribution within each subspace is subgaussian, we show that diffusion models require at most the order of $\widetilde{O}(\varepsilon^{-k \vee 2})$ (up to some logarithmic factor) samples to achieve $\varepsilon$ sampling error in 1-Wasserstein distance, where $k$ is the intrinsic dimension. This near-optimal convergence rate depends only on the intrinsic dimension and significantly improves upon prior theoretical guarantees that suffer from the curse of dimensionality. Notably, our analysis applies to a broad collection of distributions without imposing smoothness, bounded-density, or log-concavity assumptions. Overall, our results show that diffusion models can statistically adapt to intrinsic low-dimensional structure while naturally accommodating multi-modal data, offering a rigorous theoretical justification for their success in complex high-dimensional learning tasks.

Poster
From Shortcuts to Reasoning: Robust Post-Training of Theory of Mind with Reinforcement Learning

Jike Zhong, Yuxiang Lai, Ming Li, Yuheng Li, Wuao Liu, Behzad Dariush, Konstantinos Psounis, Shao-Yuan Lo

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Theory of Mind (ToM) is a must-acquire skill for modern foundation model systems to operate effectively and safely in the real world. Recent works have explored honing ToM via post-training; however, we show that such progress is confounded by a pervasive “shortcut” issue: tasks can reach up to 99% accuracy by simply exploiting spurious causal correlations, leading to a false sense of ToM. Motivated by this, we first develop a framework to systematically examine ToM datasets for shortcuts and provide guidance for future development. We find that questions reducible to pure state tracking, such as “belief,” are especially shortcut-prone compared to mind questions, such as “intention,” where reasoning beyond tracking is required. Using four shortcut-free datasets across three ToM contexts, we then comprehensively study whether Reinforcement Fine-Tuning with verifiable rewards and explicit reasoning chains, called Thinking-RFT, elevates ToM beyond Supervised Fine-Tuning, or SFT. Our key findings are as follows. First, Thinking-RFT effectively improves ToM in all scenarios, with a 6% improvement over SFT, particularly in complex higher-order reasoning, with a 10% improvement over SFT, and multimodal cases, with a 7% improvement over SFT. It also generalizes notably better to unseen domains and higher-order queries while being more robust to counterfactuals. Second, ToM benefits specifically from the joint effect of reasoning and RL: Thinking-RFT outperforms No-Thinking-RFT by 7% on average. Third, RFT works by learning to ground its reasoning on anchor cues, such as keywords and state changes, that correspond to causal factors. We believe our study is useful for developing effective and robust ToM post-training datasets and advancing critical ToM capabilities. Project code is available at: https://github.com/jkz-338/Robust-ToM-RL.git

Poster
CurvZO: Adaptive Curvature-Guided Sparse Zeroth-Order Optimization for Efficient LLM Fine-Tuning

Shuo Wang, Ziyu Chen, Ming Tang

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Fine-tuning large language models (LLMs) with backpropagation achieves high performance but incurs substantial memory overhead, limiting scalability on resource-constrained hardware. Zeroth-order (ZO) optimization provides a memory-efficient alternative by relying solely on forward passes, yet it typically suffers from slow or unstable convergence due to high-variance gradient estimates. Sparse ZO updates partially address this issue by perturbing only a subset of parameters, but their effectiveness hinges on selecting informative parameters, which is challenging in ZO optimization because each query yields only scalar feedback. We propose Adaptive Curvature-Guided Sparse Zeroth-Order Optimization (CurvZO), which tracks curvature signals online from scalar ZO feedback and leverages these signals to construct a parameter-wise sampling distribution for selecting coordinates at each update, reducing the variance of the sparse ZO gradient estimator. Moreover, CurvZO dynamically adapts the perturbation budget to the evolving curvature signal distribution, yielding sparse ZO updates that remain both focused and sufficiently exploratory. Extensive experiments on OPT and Llama across diverse NLP tasks show that CurvZO consistently improves fine-tuning performance and reduces training time over ZO baselines. It improves accuracy by up to 4.4 points and achieves up to a $2\times$ speedup, while preserving memory efficiency.

Poster