ICML 2025 Papers

Score Distillation Sampling (SDS) has emerged as a prominent method for text-to-3D generation by leveraging the strengths of 2D diffusion models. However, SDS is limited to generation tasks and lacks the capability to edit existing 3D assets. Conversely, variants of SDS that introduce editing capabilities often can not generate new 3D assets effectively. In this work, we observe that the processes of generation and editing within SDS and its variants have unified underlying gradient terms. Building on this insight, we propose Unified Distillation Sampling (UDS), a method that seamlessly integrates both the generation and editing of 3D assets. Essentially, UDS refines the gradient terms used in vanilla SDS methods, unifying them to support both tasks. Extensive experiments demonstrate that UDS not only outperforms baseline methods in generating 3D assets with richer details but also excels in editing tasks, thereby bridging the gap between 3D generation and editing.

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

Long-tailed distribution datasets are prevalent in many machine learning tasks, yet existing neural network models still face significant challenges when handling such data. This paper proposes a novel adaptive pruning strategy, LTAP (Long-Tailed Adaptive Pruner), aimed at balancing model efficiency and performance to better address the challenges posed by long-tailed data distributions. LTAP introduces multi-dimensional importance scoring criteria and designs a dynamic weight adjustment mechanism to adaptively determine the pruning priority of parameters for different classes. By focusing on protecting parameters critical for tail classes, LTAP significantly enhances computational efficiency while maintaining model performance. This method combines the strengths of long-tailed learning and neural network pruning, overcoming the limitations of existing approaches in handling imbalanced data. Extensive experiments demonstrate that LTAP outperforms existing methods on various long-tailed datasets, achieving a good balance between model compression rate, computational efficiency, and classification accuracy. This research provides new insights into solving model optimization problems in long-tailed learning and is significant for improving the performance of neural networks on imbalanced datasets. The code is available at https://github.com/DataLab-atom/LT-VOTE.

Regression is a fundamental task in machine learning that has garnered extensive attention over the past decades. The conventional approach for regression involves employing loss functions that primarily concentrate on aligning model prediction with the ground truth for each individual data sample. Recent research endeavors have introduced novel perspectives by incorporating label similarity into regression through the imposition of additional pairwise regularization or contrastive learning on the latent feature space, demonstrating their effectiveness. However, there are two drawbacks to these approaches: (i) their pairwise operations in the latent feature space are computationally more expensive than conventional regression losses; (ii) they lack theoretical insights behind these methods. In this work, we propose GAR (Gradient Aligned Regression) as a competitive alternative method in label space, which is constituted by a conventional regression loss and two pairwise label difference losses for gradient alignment including magnitude and direction. GAR enjoys: i) the same level efficiency as conventional regression loss because the quadratic complexity for the proposed pairwise losses can be reduced to linear complexity; ii) theoretical insights from learning the pairwise label difference to learning the gradient of the ground truth function. We limit our current scope as regression on the clean data setting without noises, outliers or distributional shifts, etc. We demonstrate the effectiveness of the proposed method practically on two synthetic datasets and on eight extensive real-world tasks from six benchmark datasets with other eight competitive baselines. Running time experiments demonstrate the superior efficiency of the proposed GAR compared to existing methods with pairwise regularization or contrastive learning in the latent feature space. Additionally, ablation studies confirm the effectiveness of each component of GAR. The code is open sourced at https://github.com/DixianZhu/GAR.

Graph contrastive learning (GCL) aims at narrowing positives while dispersing negatives, often causing a minority of samples with great similarities to gather as a small group. It results in two latent shortcomings in GCL: 1) **local cohesion** that a class cluster contains numerous independent small groups, and 2) **global sparseness** that these small groups (or isolated samples) dispersedly distribute among all clusters. These shortcomings make the learned distribution *only focus on local similarities among partial samples, which hinders the ability to capture the ideal global structural properties among real clusters, especially high intra-cluster compactness and inter-cluster separateness*. Considering this, we design a novel fuzzy boundary by extending the original cluster boundary with fuzzy set theory, which involves fuzzy boundary construction and fuzzy boundary contraction to address these shortcomings. The fuzzy boundary construction dilates the original boundaries to bridge the local groups, and the fuzzy boundary contraction forces the dispersed samples or groups within the fuzzy boundary to gather tightly, jointly mitigating local cohesion and global sparseness while forming the ideal global structural distribution. Extensive experiments demonstrate that a graph auto-encoder with the fuzzy boundary significantly outperforms current state-of-the-art GCL models in both downstream tasks and quantitative analysis.

Activation sparsity can reduce the computational overhead and memory transfers during the forward pass of Large Language Model (LLM) inference. Existing methods face limitations, either demanding time-consuming recovery training that hinders real-world adoption, or relying on empirical magnitude-based pruning, which causes fluctuating sparsity and unstable inference speed-up. This paper introduces LaRoSA (**La**yerwise **Ro**tated **S**parse **A**ctivation), a novel method for activation sparsification designed to improve LLM efficiency without requiring additional training or magnitude-based pruning. We leverage layerwise orthogonal rotations to transform input activations into rotated forms that are more suitable for sparsification. By employing a Top-K selection approach within the rotated activations, we achieve consistent model-level sparsity and reliable wall-clock time speed-up. LaRoSA is effective across various sizes and types of LLMs, demonstrating minimal performance degradation and robust inference acceleration. Specifically, for LLaMA2-7B at 40\% sparsity, LaRoSA achieves a mere 0.17 perplexity gap with a consistent 1.30× wall-clock time speed-up, and reduces the accuracy gap in zero-shot tasks compared to the dense model to just 0.54\%, while surpassing TEAL by 1.77\% and CATS by 17.14\%.

Machine learning models can assign fixed predictions that preclude individuals from changing their outcome. Existing approaches to audit fixed predictions do so on a pointwise basis, which requires access to an existing dataset of individuals and may fail to anticipate fixed predictions in out-of-sample data. This work presents a new paradigm to identify fixed predictions by finding confined regions of the feature space in which all individuals receive fixed predictions. This paradigm enables the certification of recourse for out-of-sample data, works in settings without representative datasets, and provides interpretable descriptions of individuals with fixed predictions. We develop a fast method to discover confined regions for linear classifiers using mixed-integer quadratically constrained programming. We conduct a comprehensive empirical study of confined regions across diverse applications. Our results highlight that existing pointwise verification methods fail to anticipate future individuals with fixed predictions, while our method both identifies them and provides an interpretable description.

The measurement tasks involved in evaluating generative AI (GenAI) systems lack sufficient scientific rigor, leading to what has been described as "a tangle of sloppy tests [and] apples-to-oranges comparisons" (Roose, 2024). In this position paper, we argue that the ML community would benefit from learning from and drawing on the social sciences when developing and using measurement instruments for evaluating GenAI systems. Specifically, our position is that evaluating GenAI systems is a social science measurement challenge. We present a four-level framework, grounded in measurement theory from the social sciences, for measuring concepts related to the capabilities, behaviors, and impacts of GenAI systems. This framework has two important implications: First, it can broaden the expertise involved in evaluating GenAI systems by enabling stakeholders with different perspectives to participate in conceptual debates. Second, it brings rigor to both conceptual and operational debates by offering a set of lenses for interrogating validity.

Hierarchical reinforcement learning (HRL) learns to make decisions on multiple levels of temporal abstraction. A key challenge in HRL is that the low-level policy changes over time, making it difficult for the high-level policy to generate effective subgoals. To address this issue, the high-level policy must capture a complex subgoal distribution while also accounting for uncertainty in its estimates. We propose an approach that trains a conditional diffusion model regularized by a Gaussian Process (GP) prior to generate a complex variety of subgoals while leveraging principled GP uncertainty quantification. Building on this framework, we develop a strategy that selects subgoals from both the diffusion policy and GP's predictive mean. Our approach outperforms prior HRL methods in both sample efficiency and performance on challenging continuous control benchmarks.

Standard reinforcement learning (RL) assumes that an agent can observe a reward for each state-action pair. However, in practical applications, it is often difficult and costly to collect a reward for each state-action pair. While there have been several works considering RL with trajectory feedback, it is unclear if trajectory feedback is inefficient for learning when trajectories are long. In this work, we consider a model named RL with segment feedback, which offers a general paradigm filling the gap between per-state-action feedback and trajectory feedback. In this model, we consider an episodic Markov decision process (MDP), where each episode is divided into $m$ segments, and the agent observes reward feedback only at the end of each segment. Under this model, we study two popular feedback settings: binary feedback and sum feedback, where the agent observes a binary outcome and a reward sum according to the underlying reward function, respectively. To investigate the impact of the number of segments $m$ on learning performance, we design efficient algorithms and establish regret upper and lower bounds for both feedback settings. Our theoretical and experimental results show that: under binary feedback, increasing the number of segments $m$ decreases the regret at an exponential rate; in contrast, surprisingly, under sum feedback, increasing $m$ does not reduce the regret significantly.

Online advertising is a vital revenue source for major internet platforms. Recently, joint advertising, which assigns a bundle of two advertisers in an ad slot instead of allocating a single advertiser, has emerged as an effective method for enhancing allocation efficiency and revenue. However, existing mechanisms for joint advertising fail to realize the optimality, as they tend to focus on individual advertisers and overlook bundle structures. This paper identifies an optimal mechanism for joint advertising in a single-slot setting. For multi-slot joint advertising, we propose **BundleNet**, a novel bundle-based neural network approach specifically designed for joint advertising. Our extensive experiments demonstrate that the mechanisms generated by **BundleNet** approximate the theoretical analysis results in the single-slot setting and achieve state-of-the-art performance in the multi-slot setting. This significantly increases platform revenue while ensuring approximate dominant strategy incentive compatibility and individual rationality.

Brain decoding aims to reconstruct visual perception of human subject from fMRI signals, which is crucial for understanding brain's perception mechanisms. Existing methods are confined to the single-subject paradigm due to substantial brain variability, which leads to weak generalization across individuals and incurs high training costs, exacerbated by limited availability of fMRI data. To address these challenges, we propose MindAligner, an explicit functional alignment framework for cross-subject brain decoding from limited fMRI data. The proposed MindAligner enjoys several merits. First, we learn a Brain Transfer Matrix (BTM) that projects the brain signals of an arbitrary new subject to one of the known subjects, enabling seamless use of pre-trained decoding models. Second, to facilitate reliable BTM learning, a Brain Functional Alignment module is proposed to perform soft cross-subject brain alignment under different visual stimuli with a multi-level brain alignment loss, uncovering fine-grained functional correspondences with high interpretability. Experiments indicate that MindAligner not only outperforms existing methods in visual decoding under data-limited conditions, but also provides valuable neuroscience insights in cross-subject functional analysis. The code will be made publicly available.

K-nearest neighbors (KNN) classification plays a significant role in various applications due to its interpretability. The accuracy of KNN classification relies heavily on large amounts of high-quality data, which are often distributed among different parties and contain sensitive information. Dozens of privacy-preserving frameworks have been proposed for performing KNN classification with data from different parties while preserving data privacy. However, existing privacy-preserving frameworks for KNN classification demonstrate communication inefficiency in the online phase due to two main issues: (1) They suffer from huge communication size for secure Euclidean square distance computations. (2) They require numerous communication rounds to select the $k$ nearest neighbors. In this paper, we present $\texttt{Kona}$, an efficient privacy-preserving framework for KNN classification. We resolve the above communication issues by (1) designing novel Euclidean triples, which eliminate the online communication for secure Euclidean square distance computations, (2) proposing a divide-and-conquer bubble protocol, which significantly reduces communication rounds for selecting the $k$ nearest neighbors. Experimental results on eight real-world datasets demonstrate that $\texttt{Kona}$ significantly outperforms the state-of-the-art framework by $1.1\times \sim 3121.2\times$ in communication size, $19.1\times \sim 5783.2\times$ in communication rounds, and $1.1\times \sim 232.6\times$ in runtime.

Large language models (LLMs) have achieved remarkable success in contextual knowledge understanding. In this paper, we show for the first time that these concentrated massive values consistently emerge in specific regions of attention queries (Q) and keys (K) while not having such patterns in values (V) in various modern transformer-based LLMs. Through extensive experiments, we further demonstrate that these massive values play a critical role in interpreting contextual knowledge (i.e., knowledge obtained from the current context window) rather than in retrieving parametric knowledge stored within the model’s parameters. Our further investigation of quantization strategies reveals that ignoring these massive values leads to a pronounced drop in performance on tasks requiring rich contextual understanding, aligning with our analysis. Finally, we trace the emergence of concentrated massive values and find that such concentration is caused by Rotary Positional Encoding (RoPE) and it appears since very first layers. These findings shed new light on how Q and K operate in LLMs and offer practical insights for model design and optimization. The code is available at https://github.com/MingyuJ666/Rope_with_LLM.

The AI research community plays a vital role in shaping the scientific, engineering, and societal goals of AI research. In this position paper, we argue that focusing on the highly contested topic of 'artificial general intelligence' ('AGI') undermines our ability to choose effective goals. We identify six key traps---obstacles to productive goal setting---that are aggravated by AGI discourse: Illusion of Consensus, Supercharging Bad Science, Presuming Value-Neutrality, Goal Lottery, Generality Debt, and Normalized Exclusion. To avoid these traps, we argue that the AI research community needs to (1) prioritize specificity in scientific, engineering, and societal goals, (2) center pluralism about multiple worthwhile approaches to multiple valuable goals, and (3) foster innovation through greater inclusion of disciplines and communities. Therefore, the AI research community needs to stop treating ``AGI'' as the north-star goal of AI research.

Estimation and inference for the Average Treatment Effect (ATE) is a cornerstone of causal inference and often serves as the foundation for developing procedures for more complicated settings. Although traditionally analyzed in a batch setting, recent advances in martingale theory have paved the way for adaptive methods that can enhance the power of downstream inference. Despite these advances, progress in understanding and developing adaptive algorithms remains in its early stages. Existing work either focus on asymptotic analyses that overlook exploration-exploitation trade-offs relevant in finite-sample regimes or rely on simpler but suboptimal estimators. In this work, we address these limitations by studying adaptive sampling procedures that take advantage of the asymptotically optimal Augmented Inverse Probability Weighting (AIPW) estimator. Our analysis uncovers challenges obscured by asymptotic approaches and introduces a novel algorithmic design principle reminiscent of optimism in multi-armed bandits. This principled approach enables our algorithm to achieve significant theoretical and empirical gains compared to previous methods. Our findings mark a step forward in the advancement of adaptive causal inference methods in theory and practice.

The policy trained via reinforcement learning (RL) makes decisions based on sensor-derived state features. It is common for state features to evolve for reasons such as periodic sensor maintenance or the addition of new sensors for performance improvement. The deployed policy fails in new state space when state features are unseen during training. Previous work tackles this challenge by training a sensor-invariant policy or generating multiple policies and selecting the appropriate one with limited samples. However, both directions struggle to guarantee the performance when faced with unpredictable evolutions. In this paper, we formalize this problem as state evolvable reinforcement learning (SERL), where the agent is required to mitigate policy degradation after state evolutions without costly exploration. We propose **Lapse** by reusing policies learned from the old state space in two distinct aspects. On one hand, Lapse directly reuses the *robust* old policy by composing it with a learned state reconstruction model to handle vanishing sensors. On the other hand, the behavioral experience from the old policy is reused by Lapse to train a newly adaptive policy through offline learning, better utilizing new sensors. To leverage advantages of both policies in different scenarios, we further propose *automatic ensemble weight adjustment* to effectively aggregate them. Theoretically, we justify that robust policy reuse helps mitigate uncertainty and error from both evolution and reconstruction. Empirically, Lapse achieves a significant performance improvement, outperforming the strongest baseline by about $2\times$ in benchmark environments.

Implicit neural representation (INR) has now been thrust into the limelight with its flexibility in high-fidelity flow field reconstruction tasks. However, the lack of standard benchmarking datasets and the grid independence assumption for INR-based methods hinder progress and adoption in real-world simulation scenarios. Moreover, naive adoptions of existing INR frameworks suffer from limited accuracy in capturing fine-scale structures and spatiotemporal dynamics. Tacking these issues, we first introduce HFR-Beach, a 5.4 TB public large-scale CFD dataset with 33,600 unsteady 2D and 3D vector fields for reconstructing high-fidelity flow fields. We further present PEINR, a physics-enhanced INR framework, to enrich the flow fields by concurrently enhancing numerical-precision and grid-resolution. Specifically, PEINR is mainly composed of physical encoding and transformer-based spatiotemporal fuser (TransSTF). Physical encoding decouples temporal and spatial components, employing Gaussian coordinate encoding and localized encoding techniques to capture the nonlinear characteristics of spatiotemporal dynamics and the stencil discretization of spatial dimensions, respectively. TransSTF fuses both spatial and temporal information via transformer for capturing long-range temporal dependencies. Qualitative and quantitative experiments and demonstrate that PEINR outperforms state-of-the-art INR-based methods in reconstruction quality.

Transformers with linear recurrent modeling offer linear-time training and constant-memory inference. Despite their demonstrated efficiency and performance, pretraining such non-standard architectures from scratch remains costly and risky. The linearization of large language models (LLMs) transforms pretrained standard models into linear recurrent structures, enabling more efficient deployment. However, current linearization methods typically introduce additional feature map modules that require extensive fine-tuning and overlook the gating mechanisms used in state-of-the-art linear recurrent models. To address these issues, this paper presents \textbf{Liger}, short for \underline{\textbf{Li}}nearizing LLMs to \underline{\textbf{g}}at\underline{\textbf{e}}d \underline{\textbf{r}}ecurrent structures. Liger is a novel approach for converting pretrained LLMs into gated linear recurrent models without adding extra parameters. It repurposes the pretrained key matrix weights to construct diverse gating mechanisms, facilitating the formation of various gated recurrent structures while avoiding the need to train additional components from scratch. Using lightweight fine-tuning with Low-Rank Adaptation (LoRA), Liger restores the performance of the linearized gated recurrent models to match that of the original LLMs. Additionally, we introduce Liger Attention, an intra-layer hybrid attention mechanism, which significantly recovers 93\% of the Transformer-based LLM performance at 0.02\% pre-training tokens during the linearization process, achieving competitive results across multiple benchmarks, as validated on models ranging from 1B to 8B parameters.