ICML 2025 论文列表

The Quantum Alternating Operator Ansatz (QAOA) is a hybrid quantum-classical variational algorithm for approximately solving combinatorial optimization problems on Noisy Intermediate-Scale Quantum (NISQ) devices. Although it has been successfully applied to a variety of problems, there is only limited work on correlation clustering due to the difficulty of modelling the problem constraints with the ansatz. Motivated by this, we present a generalization of QAOA that is more suitable for this problem. In particular, we modify QAOA in two ways: Firstly, we use nucleus sampling for the computation of the expected cost. Secondly, we split the problem into sub-problems, solving each individually with QAOA. We call this generalization the Sub-Problem Quantum Alternating Operator Ansatz (SQAOA) and show theoretically that optimal solutions for correlation clustering instances can be obtained with certainty when the depth of the ansatz tends to infinity. Further, we show experimentally that SQAOA achieves better approximation ratios than QAOA for correlation clustering, while using only one qubit per node of the respective problem instance and reducing the runtime (of simulations).

Optimization problems on the Stiefel manifold, ranging from principal component analysis to enhancing neural network robustness, are ubiquitous in machine learning. The Landing algorithm avoids computationally expensive retraction operations on manifolds, making it highly competitive for large-scale problems. This paper extends this method to distributed settings, introducing *EF-Landing*, the first retraction-free and communication-efficient algorithm for distributed stochastic optimization on the Stiefel manifold. By incorporating communication compression and error feedback, EF-Landing ensures convergence and constraint feasibility while significantly reducing communication overhead. We provide sharp convergence guarantees, demonstrating that EF-Landing achieves the same asymptotic linear speedup convergence rate as existing methods without communication compression. Furthermore, our analysis is highly versatile, applying to both deterministic and stochastic settings and encompassing algorithms based on gradient descent or momentum-based gradient descent. We also generalize EF-Landing to operate on block-wise Stiefel manifolds, enabling greater flexibility for structured constraints. Extensive numerical experiments validate our theoretical results.

Recent theoretical studies (Kou et al., 2023; Cao et al., 2022) revealed a sharp phase transition from benign to harmful overfitting when the noise-to-feature ratio exceeds a threshold—a situation common in long-tailed data distributions where atypical data is prevalent. However, such harmful overfitting rarely happens in overparameterized neural networks. Further experimental results suggested that memorization is necessary for achieving near-optimal generalization error in long-tailed data distributions (Feldman & Zhang, 2020). We argue that this discrepancy between theoretical predictions and empirical observations arises because previous feature-noise data models overlook the heterogeneous nature of noise across different data classes. In this paper, we refine the feature-noise data model by incorporating class-dependent heterogeneous noise and re-examine the overfitting phenomenon in neural networks. Through a comprehensive analysis of the training dynamics, we establish test loss bounds for the refined model. Our findings reveal that neural networks can leverage "data noise" to learn implicit features that improve the classification accuracy for long-tailed data. Our analysis also provides a training-free metric for evaluating data influence on test performance. Experimental validation on both synthetic and real-world datasets supports our theoretical results.

Foundation models trained on patient electronic health records (EHRs) require tokenizing medical data into sequences of discrete vocabulary items. Existing tokenizers treat medical codes from EHRs as isolated textual tokens. However, each medical code is defined by its textual description, its position in ontological hierarchies, and its relationships to other codes, such as disease co-occurrences and drug-treatment associations. Medical vocabularies contain more than 600,000 codes with critical information for clinical reasoning. We introduce MedTok, a multimodal medical code tokenizer that uses the text descriptions and relational context of codes. MedTok processes text using a language model encoder and encodes the relational structure with a graph encoder. It then quantizes both modalities into a unified token space, preserving modality-specific and cross-modality information. We integrate MedTok into five EHR models and evaluate it on operational and clinical tasks across in-patient and out-patient datasets, including outcome prediction, diagnosis classification, drug recommendation, and risk stratification. Swapping standard EHR tokenizers with MedTok improves AUPRC across all EHR models, by 4.10% on MIMIC-III, 4.78% on MIMIC-IV, and 11.32% on EHRShot, with the largest gains in drug recommendation. Beyond EHR modeling, we demonstrate using MedTok tokenizer with medical QA systems. Our results demonstrate the potential of MedTok as a unified tokenizer for medical codes, improving tokenization for medical foundation models.

We propose Noise Conditional Variational Score Distillation (NCVSD), a novel method for distilling pretrained diffusion models into generative denoisers. We achieve this by revealing that the unconditional score function implicitly characterizes the score function of denoising posterior distributions. By integrating this insight into the Variational Score Distillation (VSD) framework, we enable scalable learning of generative denoisers capable of approximating samples from the denoising posterior distribution across a wide range of noise levels. The proposed generative denoisers exhibit desirable properties that allow fast generation while preserve the benefit of iterative refinement: (1) fast one-step generation through sampling from pure Gaussian noise at high noise levels; (2) improved sample quality by scaling the test-time compute with multi-step sampling; and (3) zero-shot probabilistic inference for flexible and controllable sampling. We evaluate NCVSD through extensive experiments, including class-conditional image generation and inverse problem solving. By scaling the test-time compute, our method outperforms teacher diffusion models and is on par with consistency models of larger sizes. Additionally, with significantly fewer NFEs than diffusion-based methods, we achieve record-breaking LPIPS on inverse problems.

To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this position paper, we critically re-examine this popular family of OOD detection procedures, and we argue that these methods are fundamentally answering the wrong questions for OOD detection. There is no simple fix to this misalignment, since a classifier trained only on in-distribution classes cannot be expected to identify OOD points; for instance, a cat-dog classifier may confidently misclassify an airplane if it contains features that distinguish cats from dogs, despite generally appearing nothing alike. We find that uncertainty-based methods incorrectly conflate high uncertainty with being OOD, while feature-based methods incorrectly conflate far feature-space distance with being OOD. We show how these pathologies manifest as irreducible errors in OOD detection and identify common settings where these methods are ineffective. Additionally, interventions to improve OOD detection such as feature-logit hybrid methods, scaling of model and data size, epistemic uncertainty representation, and outlier exposure also fail to address this fundamental misalignment in objectives.

Latent generative models have emerged as a leading approach for high-quality image synthesis. These models rely on an autoencoder to compress images into a latent space, followed by a generative model to learn the latent distribution. We identify that existing autoencoders lack equivariance to semantic-preserving transformations like scaling and rotation, resulting in complex latent spaces that hinder generative performance. To address this, we propose EQ-VAE, a simple regularization approach that enforces equivariance in the latent space, reducing its complexity without degrading reconstruction quality. By finetuning pre-trained autoencoders with EQ-VAE, we enhance the performance of several state-of-the-art generative models, including DiT, SiT, REPA and MaskGIT, achieving a ×7 speedup on DiT-XL/2 with only five epochs of SD-VAE fine-tuning. EQ-VAE is compatible with both continuous and discrete autoencoders, thus offering a versatile enhancement for a wide range of latent generative models.

Recent advances in generative models have made it increasingly difficult to distinguish real data from model-generated synthetic data. Using synthetic data for successive training of future model generations creates “self-consuming loops,” which may lead to model collapse or training instability. Furthermore, synthetic data is often subject to human feedback and curated by users based on their preferences. Ferbach et al. (2024) recently showed that when data is curated according to user preferences, the self-consuming retraining loop drives the model to converge toward a distribution that optimizes those preferences. However, in practice, data curation is often noisy or adversarially manipulated. For example, competing platforms may recruit malicious users to adversarially curate data and disrupt rival models. In this paper, we study how generative models evolve under self-consuming retraining loops with noisy and adversarially curated data. We theoretically analyze the impact of such noisy data curation on generative models and identify conditions for the robustness and stability of the retraining process. Building on this analysis, we design attack algorithms for competitive adversarial scenarios, where a platform with a limited budget employs malicious users to misalign a rival’s model from actual user preferences. Experiments on both synthetic and real-world datasets demonstrate the effectiveness of the proposed algorithms.

The use of large language models (LLMs) as feature enhancers to optimize node representations, which are then used as inputs for graph neural networks (GNNs), has shown significant potential in graph representation learning. However, the fundamental properties of this approach remain underexplored. To address this issue, we propose conducting a more in-depth analysis of this issue based on the interchange intervention method. First, we construct a synthetic graph dataset with controllable causal relationships, enabling precise manipulation of semantic relationships and causal modeling to provide data for analysis. Using this dataset, we conduct interchange interventions to examine the deeper properties of LLM enhancers and GNNs, uncovering their underlying logic and internal mechanisms. Building on the analytical results, we design a plug-and-play optimization module to improve the information transfer between LLM enhancers and GNNs. Experiments across multiple datasets and models validate the proposed module.

Teaching large language models (LLMs) to critique and refine their outputs is crucial for building systems that can iteratively improve, yet it is fundamentally limited by the ability to provide *accurate judgments* and *actionable suggestions*. In this work, we study LLM critics for code generation and propose $\texttt{CTRL}$, a framework for $\texttt{C}$ritic $\texttt{T}$raining via $\texttt{R}$einforcement $\texttt{L}$earning, which trains a critic model to generate feedback that maximizes correction performance for a fixed generator model without human supervision. Our results demonstrate that critics trained with $\texttt{CTRL}$ significantly enhance pass rates and mitigate compounding errors across both base and stronger generator models. Furthermore, we show that these critic models act as accurate generative reward models and enable test-time scaling through iterative critique-revision, achieving up to 106.1\% relative improvements across challenging code generation benchmarks.

AI Scaling has traditionally been synonymous with Scaling Up, which builds larger and more powerful models. However, the growing demand for efficiency, adaptability, and collaboration across diverse applications necessitates a broader perspective. This position paper presents a holistic framework for AI scaling, encompassing Scaling Up, Scaling Down, and Scaling Out. It argues that while Scaling Up of models faces inherent bottlenecks, the future trajectory of AI scaling lies in Scaling Down and Scaling Out. These paradigms address critical technical and societal challenges, such as reducing carbon footprint, ensuring equitable access, and enhancing cross-domain collaboration. We explore transformative applications in healthcare, smart manufacturing, and content creation, demonstrating how AI Scaling can enable breakthroughs in efficiency, personalization, and global connectivity. Additionally, we highlight key challenges, including balancing model complexity with interpretability, managing resource constraints, and fostering ethical development. By synthesizing these approaches, we propose a unified roadmap that redefines the future of AI research and application, paving the way for advancements toward Artificial General Intelligence (AGI).

Spectral graph convolution, an important tool of data filtering on graphs, relies on two essential decisions: selecting spectral bases for signal transformation and parameterizing the kernel for frequency analysis. While recent techniques mainly focus on standard Fourier transform and vector-valued spectral functions, they fall short in flexibility to model signal distributions over large spatial ranges, and capacity of spectral function. In this paper, we present a novel wavelet-based graph convolution network, namely WaveGC, which integrates multi-resolution spectral bases and a matrix-valued filter kernel. Theoretically, we establish that WaveGC can effectively capture and decouple short-range and long-range information, providing superior filtering flexibility, surpassing existing graph wavelet neural networks. To instantiate WaveGC, we introduce a novel technique for learning general graph wavelets by separately combining odd and even terms of Chebyshev polynomials. This approach strictly satisfies wavelet admissibility criteria. Our numerical experiments showcase the consistent improvements in both short-range and long-range tasks. This underscores the effectiveness of the proposed model in handling different scenarios.

Foundation Models (FMs) and World Models (WMs) offer complementary strengths in task generalization at different levels. In this work, we propose FOUNDER, a framework that integrates the generalizable knowledge embedded in FMs with the dynamic modeling capabilities of WMs to enable open-ended task solving in embodied environments in a reward-free manner. We learn a mapping function that grounds FM representations in the WM state space, effectively inferring the agent's physical states in the world simulator from external observations. This mapping enables the learning of a goal-conditioned policy through imagination during behavior learning, with the mapped task serving as the goal state. Our method leverages the predicted temporal distance to the goal state as an informative reward signal. FOUNDER demonstrates superior performance on various multi-task offline visual control benchmarks, excelling in capturing the deep-level semantics of tasks specified by text or videos, particularly in scenarios involving complex observations or domain gaps where prior methods struggle. The consistency of our learned reward function with the ground-truth reward is also empirically validated. Our project website is https://sites.google.com/view/founder-rl.

We present Gradient Boosting Reinforcement Learning (GBRL), a framework that adapts the strengths of Gradient Boosting Trees (GBT) to reinforcement learning (RL) tasks. While neural networks (NNs) have become the de facto choice for RL, they face significant challenges with structured and categorical features and tend to generalize poorly to out-of-distribution samples. These are challenges for which GBTs have traditionally excelled in supervised learning. However, GBT's application in RL has been limited. The design of traditional GBT libraries is optimized for static datasets with fixed labels, making them incompatible with RL's dynamic nature, where both state distributions and reward signals evolve during training. GBRL overcomes this limitation by continuously interleaving tree construction with environment interaction. Through extensive experiments, we demonstrate that GBRL outperforms NNs in domains with structured observations and categorical features, while maintaining competitive performance on standard continuous control benchmarks. Like its supervised learning counterpart, GBRL demonstrates superior robustness to out-of-distribution samples and better handles irregular state-action relationships.

This paper proposes a family of permutation-invariant graph embeddings, generalizing the Skew Spectrum of graphs of Kondor & Borgwardt (2008). Grounded in group theory and harmonic analysis, our method introduces a new class of graph invariants that are isomorphism-invariant and capable of embedding richer graph structures - including attributed graphs, multilayer graphs, and hypergraphs - which the Skew Spectrum could not handle. Our generalization further defines a family of functions that enables a trade-off between computational complexity and expressivity. By applying generalization-preserving heuristics to this family, we improve the Skew Spectrum's expressivity at the same computational cost. We formally prove the invariance of our generalization, demonstrate its improved expressiveness through experiments, and discuss its efficient computation.

RWKV is a modern RNN architecture with comparable performance to Transformer, but still faces challenges when deployed to resource-constrained devices. Post Training Quantization (PTQ), which is a an essential technique to reduce model size and inference latency, has been widely used in Transformer models. However, it suffers significant degradation of performance when applied to RWKV. This paper investigates and identifies two key constraints inherent in the properties of RWKV: (1) Non-linear operators hinder the parameter-fusion of both smooth- and rotation-based quantization, introducing extra computation overhead. (2) The larger amount of uniformly distributed weights poses challenges for cluster-based quantization, leading to reduced accuracy. To this end, we propose RWKVQuant, a PTQ framework tailored for RWKV models, consisting of two novel techniques: (1) a coarse-to-fine proxy capable of adaptively selecting different quantization approaches by assessing the uniformity and identifying outliers in the weights, and (2) a codebook optimization algorithm that enhances the performance of cluster-based quantization methods for element-wise multiplication in RWKV. Experiments show that RWKVQuant can quantize RWKV-6-14B into about 3-bit with less than 1\% accuracy loss and 2.14$\times$ speed up.

Linear recurrent neural networks enable powerful long-range sequence modeling with constant memory usage and time-per-token during inference. These architectures hold promise for streaming applications at the edge, but deployment in resource-constrained environments requires hardware-aware optimizations to minimize latency and energy consumption. Unstructured sparsity offers a compelling solution, enabling substantial reductions in compute and memory requirements--when accelerated by compatible hardware platforms. In this paper, we conduct a scaling study to investigate the Pareto front of performance and efficiency across inference compute budgets. We find that highly sparse linear RNNs *consistently* achieve better efficiency-performance trade-offs than dense baselines, with $2\times$ less compute and $36$\% less memory at iso-accuracy. Our models achieve state-of-the-art results on a real-time streaming task for audio denoising. By quantizing our sparse models to fixed-point arithmetic and deploying them on the Intel Loihi 2 neuromorphic chip for real-time processing, we translate model compression into tangible gains of $42\times$ lower latency and $149\times$ lower energy consumption compared to a dense model on an edge GPU. Our findings showcase the transformative potential of unstructured sparsity, paving the way for highly efficient recurrent neural networks in real-world, resource-constrained environments.

Hallucinations in LLMs pose a significant concern to their safe deployment in real-world applications. Recent approaches have leveraged the latent space of LLMs for hallucination detection, but their embeddings, optimized for linguistic coherence rather than factual accuracy, often fail to clearly separate truthful and hallucinated content. To this end, we propose the **T**ruthfulness **S**eparator **V**ector (**TSV**), a lightweight and flexible steering vector that reshapes the LLM’s representation space during inference to enhance the separation between truthful and hallucinated outputs, without altering model parameters. Our two-stage framework first trains TSV on a small set of labeled exemplars to form compact and well-separated clusters. It then augments the exemplar set with unlabeled LLM generations, employing an optimal transport-based algorithm for pseudo-labeling combined with a confidence-based filtering process. Extensive experiments demonstrate that TSV achieves state-of-the-art performance with minimal labeled data, exhibiting strong generalization across datasets and providing a practical solution for real-world LLM applications.

This paper addresses the challenge of achieving Differential Privacy (DP) in Federated Learning (FL) under the partial-participation setting, where each machine participates in only some of training rounds. While earlier work achieved optimal performance and efficiency in full-participation scenarios, these methods could not extend effectively to cases with partial-participation. Our approach addresses this gap by introducing a novel noise-cancellation mechanism that ensures privacy without compromising convergence rates or computational efficiency. We analyze our method within the Stochastic Convex Optimization (SCO) framework and demonstrate that it achieves optimal performance for both homogeneous and heterogeneous data distributions. This work broadens the applicability of DP in FL, providing a practical and efficient solution for privacy-preserving learning in distributed systems with partial participation.