ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Efficient Diffusion Models via Time Step Optimization with Consistent Training and Inference Constraints

Binrui Wu, Zihao Cheng, Yuesen Liao, WEIZHONG ZHANG

展开摘要

Diffusion probabilistic models (DPMs)’ sampling process is often inefficient, requiring hundreds to thousands of iterative steps to accurately approximate the diffusion trajectory. This inefficiency limits their practical applicability. Although recent advances in sampling efficiency—such as numerical solvers for diffusion ordinary differential equations (ODEs)—have made progress, significant challenges remain: training-free numerical solvers suffer from the suboptimality of manually designed timestep selection rules and the inherent inconsistency between the forward diffusion process (typically involving thousands of steps) and the reverse denoising process (usually limited to tens of steps). Since timestep selection is inherently a discrete problem and cannot be optimized via gradients, we propose an innovative approach—reparameterizing the timestep scheduling through probabilistic masking, thereby enabling gradient-based optimization of sampling timesteps. To circumvent backpropagation, we employ policy gradient methods. Furthermore, to address the inconsistency between forward diffusion (training) and reverse denoising (inference), we extend this framework into a bilevel optimization paradigm: the inner loop performs additional lightweight training on the model at specific timesteps determined by the outer mask to align forward and reverse processes, while the outer loop optimizes the timestep distribution via probabilistic masking and policy gradient based on generation quality. Under mild assumptions, we theoretically analyze the convergence of the proposed algorithm. Extensive experiments across diverse datasets and samplers demonstrate that this framework effectively enhances sampling efficiency and generation quality while maintaining compatibility with various DPM architectures and advanced ODE solvers.

Poster
Flash-VAED: Plug-and-Play VAE Decoders for Efficient Video Generation

Lunjie Zhu, Yushi Huang, Xingtong Ge, Yufei Xue, Zhening Liu, Yumeng Zhang, Zehong Lin, Jun Zhang

展开摘要

Latent diffusion models have enabled high-quality video synthesis, yet their inference remains costly and time-consuming. As diffusion transformers become increasingly efficient, the latency bottleneck inevitably shifts to VAE decoders. To reduce their latency while maintaining quality, we propose a universal acceleration framework for VAE decoders that preserves full alignment with the original latent distribution. Specifically, we propose (1) an *independence-aware channel pruning* method to effectively mitigate severe channel redundancy, and (2) a *stage-wise dominant operator optimization* strategy to address the high inference cost of the widely used causal 3D convolutions in VAE decoders. Based on these innovations, we construct a **Flash-VAED** family. Moreover, we design a *three-phase dynamic distillation* framework that efficiently transfers the capabilities of the original VAE decoder to Flash-VAED. Extensive experiments on Wan and LTX-Video VAE decoders demonstrate that our method outperforms baselines in both quality and speed, achieving approximately a **6$\times$ speedup** while maintaining the reconstruction performance up to **96.9%**. Notably, Flash-VAED accelerates the end-to-end generation pipeline by up to **36%** with negligible quality drops on VBench-2.0. Our code is available at https://github.com/Aoko955/Flash-VAED.

Poster
Geometry-Aware Dataset Condensation for Diffusion Model Training

Xiao Cui, Yulei Qin, Mo Zhu, Wengang Zhou, Hongsheng Li, Houqiang Li

展开摘要

Dataset condensation aims to construct compact datasets from real data via synthesis or selection. However, existing approaches are ill-suited for diffusion model training: synthetic data generation often yields low-fidelity samples unsuitable for authentic modeling, while real subset selection typically fails to preserve the distributional geometry required by diffusion likelihood objectives. To address this, we propose to reformulate real subset selection as a geometry-aware distribution alignment problem. By incorporating one-sided partial optimal transport, our method selectively aligns a compact subset with the full data distribution while allowing unmatched mass in low-density regions, ensuring the preserved geometric structure necessary for effective diffusion model training. To further ensure distributional fidelity, we complement geometric alignment with lightweight feature-statistics and semantic consistency regularization. An efficient two-stage discrete optimization strategy is proposed to achieve this alignment objective. Extensive experiments across diffusion variants, subset sizes, image resolutions, and training rounds show that our method achieves superior fidelity and distributional coverage in diffusion model training.

Poster
Prompt Reinjection: Alleviating Prompt Forgetting in Multimodal Diffusion Transformers

Yuxuan Yao, Yuxuan Chen, Hui Li, Kaihui Cheng, Qipeng Guo, Yuwei Sun, Zilong Dong, Jingdong Wang, Siyu Zhu

展开摘要

Multimodal Diffusion Transformers (MMDiTs) for text-to-image generation maintain separate text and image branches, with bidirectional information flow between text tokens and visual latents throughout denoising. In this setting, we observe a prompt forgetting phenomenon: the semantics of the prompt representation in the text branch is progressively forgotten as depth increases. We further verify this effect on three representative MMDiTs—SD3, SD3.5, and FLUX.1 by probing linguistic attributes of the representations over the layers in the text branch. Motivated by these findings, we introduce a training-free approach, prompt reinjection, which reinjects prompt representations from early layers into later layers to alleviate this forgetting. Experiments on GenEval, DPG, and T2I-CompBench++ show consistent gains in instruction-following capability, along with improvements on metrics capturing preference, aesthetics, and overall text--image generation quality.

Poster
TFTF: Training-Free Targeted Flow for Conditional Sampling

Qianqian Qu, Jun S. Liu

展开摘要

We propose a training-free conditional sampling method for flow matching models based on importance sampling. Because a naïve application of importance sampling suffers from weight degeneracy in high-dimensional settings, we modify and incorporate a resampling technique in sequential Monte Carlo (SMC) during intermediate stages of the generation process. To encourage the generated samples to diverge along distinct trajectories, we derive a stochastic flow with adjustable noise strength to replace the deterministic flow at the intermediate stage. Our framework requires no additional training, while providing theoretical guarantees of asymptotic accuracy. Experimentally, our method significantly outperforms existing approaches on conditional sampling tasks for MNIST and CIFAR-10. We further demonstrate the applicability of our approach in higher-dimensional, multimodal settings through text-to-image generation experiments on CelebA-HQ.

Poster
DFlash: Block Diffusion for Flash Speculative Decoding

Jian Chen, Yesheng Liang, Zhijian Liu

展开摘要

Autoregressive large language models (LLMs) deliver strong performance but require inherently sequential decoding, leading to high inference latency and poor GPU utilization. Speculative decoding mitigates this bottleneck by using a fast draft model whose outputs are verified in parallel by the target LLM. However, existing methods still rely on *autoregressive drafting*, which remains sequential and constrains practical speedups. Diffusion LLMs offer a promising alternative by enabling parallel generation, but current diffusion models typically underperform compared with autoregressive models. In this paper, we introduce **DFlash**, a speculative decoding framework that employs a lightweight block diffusion model for parallel drafting. We show that speculative decoding provides a natural and effective setting for diffusion models. By generating draft tokens in a single forward pass, DFlash enables efficient drafting, and by conditioning the draft model on context features extracted from the target model, it achieves high-quality drafts with higher acceptance rates. Experiments show that DFlash achieves over 6$\times$ lossless acceleration across a range of models and tasks, delivering up to 2.5$\times$ higher speedup than the state-of-the-art speculative decoding method EAGLE-3.

Poster
AugMask: Training Diffusion Models on Incomplete Tabular Data via Stochastic Augmentation and Masking

Jungkyu Kim, Taeyoung Park, Kibok Lee

展开摘要

Score-based diffusion models have emerged as prominent deep generative models; however, their application to tabular data remains challenging because their backbones assume fully specified inputs, whereas real-world tabular data often contain missing values. We propose **AugMask**, a plug-and-play training framework that adapts missing-unaware backbones to incomplete data via stochastic regularization. AugMask 1) completes inputs via *conditional stochastic augmentation* using lightweight auxiliary models and 2) masks the loss, using augmented missing entries for conditioning while restricting supervision to observed coordinates. We connect AugMask to a Rao-Blackwellized objective and show that marginalizing missing entries yields a variance-weighted sensitivity penalty, promoting invariance of observed-coordinate reconstruction with respect to uncertain missing entries. Across diverse datasets and missingness regimes, AugMask enables standard diffusion-based tabular generators to match or outperform specialized missing-aware baselines in both sample fidelity and downstream utility. The code will be released.

Poster
Erased but Not Forgotten: How Backdoors Compromise Concept Erasure

Tobias Braun, Jonas Henry Grebe, Patrick Mohr Gordillo, Marcus Rohrbach, Anna Rohrbach

展开摘要

The expansion of text-to-image diffusion models has raised concerns about harmful outputs, from fabricated depictions of public figures to sexually explicit imagery. To mitigate such risks, prior work has proposed concept erasure methods that aim to sever unwanted concepts from the model via fine-tuning, yet it remains unclear whether these approaches truly remove all links to the harmful concept or merely conceal superficial connections. In this work, we reveal a critical vulnerability, the Erasure Evasion Backdoor (EEB): an adversary binds a backdoor trigger to a concept slated for removal, and this malicious link survives subsequent erasure. We show that both black-box and white-box adversaries can instantiate this threat. Across six state-of-the-art erasure methods, including robust ones that explicitly search for alternative representations of the target concept, EEB consistently exposes harmful content: up to 82% success against celebrity-identity unlearning, up to 94% for object erasure, and up to 16$\times$ amplification of explicit-content exposure. While EEB uncovers a blind spot in current erasure methods, it also provides a diagnostic tool for stress-testing future concept erasure techniques.

Poster
DisPOSE: Projected Polystochastic Diffusion for Self-Supervised Multi-View 3D Human Pose Estimation

Tony Danjun Wang, Tolga Birdal, Nassir Navab, Lennart Bastian

展开摘要

Recovering 3D human poses for multiple individuals from different camera views is a fundamental bottleneck for analyzing interacting behaviors. Existing self-supervised approaches leverage synthetic catalogues of 3D poses; however, this leads to poor generalization in real-world scenarios due to distribution shifts. We therefore introduce DisPOSE, a self-supervised framework that approximates the inherently discrete multi-view person-assignment problem as a generative diffusion process over the space of polystochastic tensors. By employing differentiable Sinkhorn projections during denoising, our model learns to guide solutions toward valid and feasible assignments based on 2D image priors. The complete 3D skeletons of localized individuals are then regressed using a Hypergraph-Convolutional Decoder that explicitly models relational structures and articulated joints across multiple views. The proposed approach outperforms current state-of-the-art self-supervised methods on standard datasets and demonstrates strong performance on a newly proposed benchmark featuring highly occluded scenes from surgical operating rooms. Our diffusion-based localization demonstrates high label efficiency, retaining 99\% of its performance with only 10\% of the pseudo-labels. Notably, disentangling the assignment and root regression components while maintaining differentiability makes DisPOSE nearly agnostic to different camera arrangements.

Poster
Generalization Bounds for Discrete Diffusion: Statistical Advantage of Masking

Zixuan Zhang, Hengyu Fu, Zhuoran Yang, Mengdi Wang, Tuo Zhao, Minshuo Chen

展开摘要

Discrete diffusion models have recently emerged as a compelling alternative for language generation, enabling efficient non-autoregressive sampling while achieving strong empirical performance. A key design choice in discrete diffusion---absent in most continuous diffusion formulations---is the forward corruption kernel, with masked/absorbing corruption now dominating practice. Despite this empirical preference, there is limited statistical theory explaining when and why masking should outperform alternative kernels such as uniform replacement. In this paper, we take a step toward closing this gap from a statistical learning perspective. Our analysis establishes generalization bounds and, through an explicit comparison across different forward corruption kernels, reveals a central advantage of masking: it scales with the effective data support rather than the full ambient state space, thereby mitigating the curse of state space cardinality. We further derive structure-aware refinements that capture how concentration and sparsity in real sequential data sharpen the sample complexities. Together, these results offer a principled explanation for the empirical strength of masked diffusion and provide guidance for forward-kernel design in discrete generative modeling.

Poster
Lookahead Unmasking Elicits Reliable Decoding in Diffusion Language Models

Sanghyun Lee, Seungryong Kim, Jongho Park, Dongmin Park

展开摘要

Masked Diffusion Models (MDMs) as language models generate by iteratively unmasking tokens, yet their performance crucially depends on the inference-time order of unmasking. Conventional methods such as confidence-based sampling are short-sighted, focusing on local optimization which neglects test-time computation and allows early decoding errors to cascade. We propose Lookahead Unmasking (LookUM), which addresses these concerns by guiding sampling path with a verifier over alternative unmasking orders, without requiring an external reward model. Our framework couples (i) a path generator that proposes paths by sampling from pools of unmasking sets with (ii) a verifier that computes the uncertainty of the proposed paths and performs importance sampling to subsequently select the final paths. Erroneous unmasking inflates sequence-level uncertainty, and our method exploits this to avoid error-prone trajectories. We validate our framework across six benchmarks, such as mathematics, planning, and coding, and demonstrate consistent performance improvements. LookUM requires only two to three paths to achieve peak performance. LLaDA with LookUM matches the performance of RL-tuned LLaDA 1.5 and yields additional gains when applied to LLaDA 1.5, suggesting complementarity with reinforcement learning.

Poster
PolyFlow: Safe and Efficient Polytope-Constrained Flow Matching with Constraint Embedding and Projection-free Update

jianming ma, Qiyue Yang, Yang Zhang, Liyun Yan, Zhanxiang Cao, Yazhou Zhang, Yue Gao

展开摘要

While flow-based generative models have demonstrated strong performance across a wide range of domains, deploying them in safety-critical physical systems remains challenging due to strict constraint requirements. Existing approaches typically enforce safety through post-hoc corrections, which incur substantial computational overhead and may distort the learned distribution. We propose PolyFlow, a polytope-constrained flow matching framework that embeds constraints directly into the model and flow dynamics. PolyFlow introduces a discrete-time flow formulation and a projection-free architecture, which eliminate the numeration error and guarantee strict satisfaction of arbitrary polyhedral constraints, without the need for expensive iterative solvers. Experimental results show that PolyFlow achieves zero constraint violation while maintaining high distributional fidelity across a range of planning and control tasks. Compared to state-of-the-art constrained generation baselines, PolyFlow significantly reduces inference latency and demonstrates a favorable trade-off between safety, efficiency, and generative quality.

Poster
Denoising without Diffusion: Fixed-Noise Denoiser Anomaly Detection in Tabular Data

Manuel Hirth, Lukas Koberg, Nasser Jazdi, Enkelejda Kasneci

展开摘要

While diffusion models have advanced anomaly detection, their reliance on multi-step noise schedules introduces significant computational complexity. In this paper, we demonstrate that the generative capability of diffusion is not required for tabular anomaly detection. We revisit core principles of denoising without targeting data generation and present a deep-learning approach that streamlines these objectives into a fixed-noise formulation. Unlike denoising autoencoders that rely on reconstruction error, our method utilizes a preconditioning with an explicit linear reference channel. We train a self-supervised fixed-noise denoising predictor and derive an anomaly score from the expected deviation under repeated perturbations, yielding a stability proxy rather than merely measuring distance to the data manifold. On the well-established ADBench benchmark, our method achieves state-of-the-art performance with improvements over existing baselines of 1.22\% in AUCROC and 1.13\% in AUCPR, the most informative and threshold-independent metrics. Our approach emphasizes structural simplicity and efficiency, demonstrating that a single-step, stability-based objective outperforms complex generative schedules.

Poster
Spiral RoPE: Rotate Your Rotary Positional Embeddings in the 2D Plane

Haoyu Liu, Sucheng Ren, Tingyu Zhu, Peng Wang, Cihang Xie, Alan Yuille, Zeyu Zheng, Feng Wang

展开摘要

Rotary Position Embedding (RoPE) is the de facto positional encoding in large language models due to its ability to encode relative positions and support length extrapolation. When adapted to vision transformers, the standard axial formulation decomposes two-dimensional spatial positions into horizontal and vertical components, implicitly restricting positional encoding to axis-aligned directions. We identify this directional constraint as a fundamental limitation of the standard axial 2D RoPE, which hinders the modeling of oblique spatial relationships that naturally exist in natural images. To overcome this limitation, we propose Spiral RoPE, a simple yet effective extension that enables multi-directional positional encoding by partitioning embedding channels into multiple groups associated with uniformly distributed directions. Each group is rotated according to the projection of the patch position onto its corresponding direction, allowing spatial relationships to be encoded beyond the horizontal and vertical axes. Across a wide range of vision tasks including classification, segmentation, and generation, Spiral RoPE consistently improves performance. Qualitative analyzes of attention maps further show that Spiral RoPE exhibits more concentrated activations on semantically relevant objects and better respects local object boundaries, highlighting the importance of multi-directional positional encoding in vision transformers.

Poster
Logical Guidance for the Exact Composition of Diffusion Models

Francesco Alesiani, Jonathan H Warrell, Tanja Bien, Henrik Christiansen, Matheus Ferraz, Mathias Niepert

展开摘要

We propose LOGDIFF (Logical Guidance for the Exact Composition of Diffusion Models), a guidance framework for diffusion models that enables principled constrained generation with complex logical expressions at inference time. We study when exact score-based guidance for complex logical formulas can be obtained from guidance signals associated with atomic attributes and constraints. First, we derive an exact Boolean calculus that provides a sufficient condition for exact logical guidance. Specifically, if a formula admits a circuit representation in which conjunctions combine conditionally independent subformulas and disjunctions combine subformulas that are either conditionally independent or mutually exclusive, exact logical guidance is achievable. In this case, the guidance signal can be computed exactly from atomic scores and posterior probabilities using an efficient recursive algorithm. Moreover, we show that, for commonly encountered classes of distributions, any desired Boolean formula is compilable into such a circuit representation. Second, by combining atomic guidance scores with posterior probability estimates, we introduce a hybrid guidance approach that bridges classifier guidance and classifier-free guidance, applicable to both compositional logical guidance and standard conditional generation. We demonstrate the effectiveness of our framework on multiple image and protein structure generation tasks.

Poster
NNiT: Width-Agnostic Neural Network Generation with Structurally Aligned Weight Spaces

Jiwoo Kim, Swarajh Mehta, Hao-Lun Hsu, Hyunwoo Ryu, Yudong Liu, Miroslav Pajic

展开摘要

Generative modeling of neural network parameters is often tied to architectures because standard parameter representations rely on known weight-matrix dimensions. Generation is further complicated by permutation symmetries that allow networks to model similar input-output functions while having widely different, unaligned parameterizations. In this work, we introduce Neural Network Diffusion Transformers (NNiTs), which generate weights in a width-agnostic manner by tokenizing weight matrices into patches and modeling them as locally structured fields. We establish that Graph HyperNetworks (GHNs) with a convolutional neural network (CNN) decoder structurally align the weight space, creating the local correlation necessary for patch-based processing. Focusing on Multilayer Perceptrons (MLPs), where permutation symmetry is especially apparent, NNiTs generate fully functional networks across a range of architectures. Our approach jointly models discrete architecture tokens and continuous weight patches within a single sequence model. On ManiSkill3 robotics tasks, NNiT achieves $>85\%$ success on architecture topologies unseen during training, while baseline approaches fail to generalize; the same pipeline also generalizes to MNIST classification beyond the robotic control setting.

Poster
Towards Sub-Second Molecular Docking as a Structural Primitive: A Quantized Consistency Diffusion Framework

Kexin Zhang, Weichen Qin, Yue Teng, Jiale Yu, Yuanyuan Ma, Jinyu Lin, Liping Sun, Jie Zheng, Jingyi Yu

展开摘要

Agent-centered scientific discovery is turning scientific models into always-on computational infrastructure. In this paradigm, AI agents coordinate tools, interpret feedback, and drive high-frequency research loops, requiring domain models that are both accurate and callable in real time. Molecular docking exposes this bottleneck: it provides essential structural feedback for drug discovery, yet current high-fidelity docking and co-folding models remain limited by iterative generative refinement and heavy computation. We present a compute-efficient co-folding framework that turns molecular docking into a sub-second structural primitive. Because docking methods operate under different levels of structural prior, we report accuracy under information-level-matched protocols, comparing blind settings with blind generative methods and interface-informed settings with surface- or interface-informed baselines. Our framework combines two ideas. First, Progressive Consistency Regularization (PCR) compresses diffusion dynamics into reliable few-step inference through reconstruction-anchored consistency tuning. Second, Residual-Safe Quantization preserves high-fidelity residual streams and geometry-sensitive operations in BF16 while quantizing selected compute-intensive linear transformations. Our model achieves state-of-the-art docking accuracy under the matched interface-informed protocol, reports blind docking performance separately under the matched blind protocol, and generates five conformations for a representative 256-token complex in 0.17 seconds on a single NVIDIA H20 GPU, delivering a $>300\times$ speedup over AlphaFold3 under the benchmarked setting. Together, these results move molecular docking from an offline generative simulator toward a real-time structural primitive for agent-centered drug discovery.

Spotlight
WMVLM: Evaluating Diffusion Model Image Watermarking via Vision-Language Models

Zijin Yang, Yu Sun, Kejiang Chen, Jiawei Zhao, Jun Jiang, Weiming Zhang, Nenghai Yu

展开摘要

Digital watermarking is essential for securing generated images from diffusion models. Accurate watermark evaluation is critical for algorithm development, yet existing methods have significant limitations: they lack a unified framework for both residual and semantic watermarks, provide results without interpretability, neglect comprehensive security considerations, and often use inappropriate metrics for semantic watermarks. To address these gaps, we propose **WMVLM**, the first unified and interpretable evaluation framework for diffusion model image **w**ater**m**arking via **v**ision-**l**anguage **m**odels (VLMs). We redefine quality and security metrics for each watermark type: residual watermarks are evaluated by artifact strength and erasure resistance, while semantic watermarks are assessed through latent distribution shifts. Moreover, we introduce a three-stage training strategy to progressively enable the model to achieve classification, scoring, and interpretable text generation. Experiments show WMVLM outperforms state-of-the-art VLMs with strong generalization across datasets, diffusion models, and watermarking methods.

Poster
Simple Denoising Diffusion Language Models

Huaisheng Zhu, Zhengyu Chen, Shijie Zhou, Zhihui Xie, Yige Yuan, Shiqi Chen, Zhimeng Guo, Siyuan Xu, Hangfan Zhang, Vasant G. Honavar, Teng Xiao

展开摘要

Recent Uniform-state Diffusion Models (USDMs), initialized from a uniform prior, offer the promise of fast text generation due to their inherent self-correction ability compared to masked diffusion models. However, they still rely on complex loss formulations with additional computational overhead, which hinders scalability. In this work, we explore a simplified denoising-based loss for USDMs that optimizes only noise-replaced tokens, stabilizing training while matching the performance of prior methods with more complex objectives. In addition, we introduce an efficient regularization term to mitigate corruption toward uniform output distributions, which further improves performance. We demonstrate the effectiveness and efficiency of our simple and improved loss formulations by pretraining models on widely used text datasets for USDMs. More importantly, our conclusions scale to larger models, showing strong potential for large-scale training.

Poster
Light Forcing: Accelerating Autoregressive Video Diffusion via Sparse Attention

Chengtao Lv, Yumeng Shi, Yushi Huang, Ruihao Gong, Shen Ren, Wenya Wang

展开摘要

Advanced autoregressive (AR) video generation models have improved visual fidelity and interactivity, but the quadratic complexity of attention remains a primary bottleneck for efficient deployment. While existing sparse attention solutions have shown promise on bidirectional models, we identify that applying these solutions to AR models leads to considerable performance degradation for two reasons: isolated consideration of chunk generation and insufficient utilization of past informative context. Motivated by these observations, we propose \textsc{Light Forcing}, the \textit{first} sparse attention solution tailored for AR video generation models. It incorporates a \textit{Chunk-Aware Growth} mechanism to quantitatively estimate the contribution of each chunk, which determines their sparsity allocation. This progressive sparsity increase strategy enables the current chunk to inherit prior knowledge in earlier chunks during generation. Additionally, we introduce a \textit{Hierarchical Sparse Attention} to capture informative historical and local context in a coarse-to-fine manner. Such two-level mask selection strategy (i.e., frame and block level) can adaptively handle diverse attention patterns. Extensive experiments demonstrate that our method outperforms existing sparse attention in quality (e.g., 84.5 on VBench) and efficiency (e.g., $1.2{\sim}1.3\times$ end-to-end speedup). Combined with other efficient solutions, \textsc{Light Forcing} further achieves a $2.0{\sim}3.0\times$ end-to-end speedup across diverse GPUs (e.g., 27.4\,FPS on RTX 5090 and 33.9\,FPS on H100). Code is released via this \href{https://github.com/chengtao-lv/LightForcing}{link}.

Poster