ICLR 2025 论文列表

Diffusion models excel at creating visually impressive images but often struggle to generate images with a specified topology. The Betti number, which represents the number of structures in an image, is a fundamental measure in topology. Yet, diffusion models fail to satisfy even this basic constraint. This limitation restricts their utility in applications requiring exact control, like robotics and environmental modeling. To address this, we propose TopoDiffusionNet (TDN), a novel approach that enforces diffusion models to maintain the desired topology. We leverage tools from topological data analysis, particularly persistent homology, to extract the topological structures within an image. We then design a topology-based objective function to guide the denoising process, preserving intended structures while suppressing noisy ones. Our experiments across four datasets demonstrate significant improvements in topological accuracy. TDN is the first to integrate topology with diffusion models, opening new avenues of research in this area.

The human brain excels at lifelong learning by not only encoding information in sparse activation codes but also leveraging rich semantic structures and relationships between newly encountered and previously learned objects. This ability to utilize semantic similarities is crucial for efficient learning and knowledge consolidation, yet is often underutilized in current continual learning approaches. To bridge this gap, we propose Semantic-Aware Representation Learning (SARL) which employs sparse activations and a principled approach to evaluate similarities between objects encountered across different tasks and subsequently uses them to guide representation learning. Using these relationships, SARL enhances the reusability of features and reduces interference between tasks. This approach empowers the model to adapt to new information while maintaining stability, significantly improving performance in complex incremental learning scenarios. Our analysis demonstrates that SARL achieves a superior balance between plasticity and stability by harnessing the underlying semantic structure.

Decision trees are a crucial class of models offering robust predictive performance and inherent interpretability across various domains, including healthcare, finance, and logistics. However, current tree induction methods often face limitations such as suboptimal solutions from greedy methods or prohibitive computational costs and limited applicability of exact optimization approaches. To address these challenges, we propose an evolutionary optimization method for decision tree induction based on genetic programming (GP). Our key innovation is the integration of semantic priors and domain-specific knowledge about the search space into the optimization algorithm. To this end, we introduce $\texttt{LLEGO}$, a framework that incorporates semantic priors into genetic search operators through the use of Large Language Models (LLMs), thereby enhancing search efficiency and targeting regions of the search space that yield decision trees with superior generalization performance. This is operationalized through novel genetic operators that work with structured natural language prompts, effectively utilizing LLMs as conditional generative models and sources of semantic knowledge. Specifically, we introduce $\textit{fitness-guided}$ crossover to exploit high-performing regions, and $\textit{diversity-guided}$ mutation for efficient global exploration of the search space. These operators are controlled by corresponding hyperparameters that enable a more nuanced balance between exploration and exploitation across the search space. Empirically, we demonstrate across various benchmarks that $\texttt{LLEGO}$ evolves superior-performing trees compared to existing tree induction methods, and exhibits significantly more efficient search performance compared to conventional GP approaches.

Lifelong learning algorithms enable models to incrementally acquire new knowledge without forgetting previously learned information. Contrarily, the field of machine unlearning focuses on explicitly forgetting certain previous knowledge from pretrained models when requested, in order to comply with data privacy regulations on the right-to-be-forgotten. Enabling efficient lifelong learning with the capability to selectively unlearn sensitive information from models presents a critical and largely unaddressed challenge with contradicting objectives. We address this problem from the perspective of simultaneously preventing catastrophic forgetting and allowing forward knowledge transfer during task-incremental learning, while ensuring exact task unlearning and minimizing memory requirements, based on a single neural network model to be adapted. Our proposed solution, privacy-aware lifelong learning (PALL), involves optimization of task-specific sparse subnetworks with parameter sharing within a single architecture. We additionally utilize an episodic memory rehearsal mechanism to facilitate exact unlearning without performance degradations. We empirically demonstrate the scalability of PALL across various architectures in image classification, and provide a state-of-the-art solution that uniquely integrates lifelong learning and privacy-aware unlearning mechanisms for responsible AI applications.

Diffusion-based imputation methods, which impute missing features through the iterative propagation of observed features, have shown impressive performance in homogeneous graphs. However, these methods are not directly applicable to heterogeneous graphs, which have multiple types of nodes and edges, due to two key issues: (1) the presence of nodes with undefined features hinders diffusion-based imputation; (2) treating various edge types equally during diffusion does not fully utilize information contained in heterogeneous graphs. To address these challenges, this paper presents a novel imputation scheme that enables diffusion-based imputation in heterogeneous graphs. Our key idea involves (1) assigning a {\it virtual feature} to an undefined node feature and (2) determining the importance of each edge type during diffusion according to a new criterion. Through experiments, we demonstrate that our virtual feature scheme effectively serves as a bridge between existing diffusion-based methods and heterogeneous graphs, maintaining the advantages of these methods. Furthermore, we confirm that adjusting the importance of each edge type leads to significant performance gains on heterogeneous graphs. Extensive experimental results demonstrate the superiority of our scheme in both semi-supervised node classification and link prediction tasks on heterogeneous graphs with missing rates ranging from low to exceedingly high. The source code is available at https://github.com/daehoum1/hetgfd.

The deployment of Deep Neural Networks (DNNs) in energy-constrained environments, such as Energy Harvesting Wireless Sensor Networks (EH-WSNs), introduces significant challenges due to the intermittent nature of power availability. This study introduces NExUME, a novel training methodology designed specifically for DNNs operating under such constraints. We propose a dynamic adjustment of training parameters—dropout rates and quantization levels—that adapt in real-time to the available energy, which varies in energy harvesting scenarios. This approach utilizes a model that integrates the characteristics of the network architecture and the specific energy harvesting profile. It dynamically adjusts training strategies, such as the intensity and timing of dropout and quantization, based on predictions of energy availability. This method not only conserves energy but also enhances the network’s adaptability, ensuring robust learning and inference capabilities even under stringent power constraints. Our results show a 6% to 22% improvement in accuracy over current methods, with an increase of less than 5% in computational overhead. This paper details the development of the adaptive training framework, describes the integration of energy profiles with dropout and quantization adjustments, and presents a comprehensive evaluation using real-world data. Additionally, we introduce a novel dataset aimed at furthering the application of energy harvesting in computational settings.

Recent research pinpoints that different diffusion methods and architectures trained on the same dataset produce similar results for the same input noise. This property suggests that they have some preferable noises for a given sample. By visualizing the noise-sample pairs of rectified flow models and stable diffusion models in two-dimensional spaces, we observe that the preferable paths, connecting preferable noises to the corresponding samples, are better organized with significant fewer crossings comparing with the random paths, connecting random noises to training samples. In high-dimensional space, paths rarely intersect. The path crossings in two-dimensional spaces indicate the shorter inter-path distance in the corresponding high-dimensional spaces. Inspired by this observation, we propose the Distance-Aware Noise-Sample Matching (DANSM) method to lengthen the inter-path distance for speeding up the model training. DANSM is derived from rectified flow models, which allow using a closed-form formula to calculate the inter-path distance. To further simplify the optimization, we derive the relationship between inter-path distance and path length, and use the latter in the optimization surrogate. DANSM is evaluated on both image and latent spaces by rectified flow models and diffusion models. The experimental results show that DANSM can significantly improve the training speed by 30\% $\sim$ 40\% without sacrificing the generation quality.

Designing reward functions in Reinforcement Learning (RL) often demands significant task-specific expertise. Offline Preference-based Reinforcement Learning (PbRL) provides an effective alternative to address the complexity of reward design by learning policies from offline datasets that contain human preferences between trajectory pairs. Existing offline PbRL studies typically model a reward function by maximizing its likelihood of generating the observed human preferences. However, due to the varying number of samples within the limited dataset, less frequently compared trajectories exhibit greater uncertainty, which potentially leads to unreliable behaviors during reward and policy updates. To solve this issue, in this work, we introduce Uncertainty-Aware PbRL (UA-PbRL) to learn a distributional reward model and a risk-sensitive policy from an offline preference dataset. Our approach employs a Maximum A Posteriori (MAP) objective to update trajectory rewards and incorporates an informative prior to account for the uncertainties. Building upon this reward update, we propose a generative reward model to capture the reward distribution, utilizing the offline distributional Bellman operator and the Conditional Value-at-Risk (CVaR) metric to train a risk-sensitive policy. Experimental results demonstrate that UA-PbRL effectively identifies and avoids states with high uncertainty, facilitating risk-averse behaviors across various tasks, including robot control and language model alignment. The code is available at https://github.com/Jasonxu1225/UA-PbRL.

Recognition of features in satellite imagery (forests, swimming pools, etc.) depends strongly on the spatial scale of the concept and therefore the resolution of the images. This poses two challenges: Which resolution is best suited for recognizing a given concept, and where and when should the costlier higher-resolution (HR) imagery be acquired? We present a novel scheme to address these challenges by introducing three components: (1) A technique to distill knowledge from models trained on HR imagery to recognition models that operate on imagery of lower resolution (LR), (2) a sampling strategy for HR imagery based on model disagreement, and (3) an LLM-based approach for inferring concept "scale". With these components we present a system to efficiently perform scale-aware recognition in satellite imagery, improving accuracy over single-scale inference while following budget constraints. **Our novel approach offers up to a 26.3\% improvement over entirely HR baselines, using 76.3 \% fewer HR images.** Resources are available at https://www.cs.cornell.edu/~revankar/scale_aware.

This paper is motivated by recent research in the $d$-dimensional stochastic linear bandit literature, which has revealed an unsettling discrepancy: algorithms like Thompson sampling and Greedy demonstrate promising empirical performance, yet this contrasts with their pessimistic theoretical regret bounds. The challenge arises from the fact that while these algorithms may perform poorly in certain problem instances, they generally excel in typical instances. To address this, we propose a new data-driven technique that tracks the geometric properties of the uncertainty ellipsoid around the main problem parameter. This methodology enables us to formulate a data-driven frequentist regret bound, which incorporates the geometric information, for a broad class of base algorithms, including Greedy, OFUL, and Thompson sampling. This result allows us to identify and ``course-correct" problem instances in which the base algorithms perform poorly. The course-corrected algorithms achieve the minimax optimal regret of order $\tilde{\mathcal{O}}(d\sqrt{T})$ for a $T$-period decision-making scenario, effectively maintaining the desirable attributes of the base algorithms, including their empirical efficacy. We present simulation results to validate our findings using synthetic and real data.

The advancements in Large Language Models (LLMs) have been hindered by their substantial sizes, which necessitates LLM compression methods for practical deployment. Singular Value Decomposition (SVD) offers a promising solution for LLM compression. However, state-of-the-art SVD-based LLM compression meth- ods have two key limitations: truncating smaller singular values may lead to higher compression loss, and the lack of update on the compressed weights after SVD truncation. In this work, we propose SVD-LLM, a SVD-based post-training LLM compression method that addresses the limitations of existing methods. SVD-LLM incorporates a truncation-aware data whitening technique to ensure a direct map- ping between singular values and compression loss. Moreover, SVD-LLM adopts a parameter update with sequential low-rank approximation to compensate for the accuracy degradation after SVD compression. We evaluate SVD-LLM on 10 datasets and seven models from three different LLM families at three different scales. Our results demonstrate the superiority of SVD-LLM over state-of-the-arts, especially at high model compression ratios.

Large Language Models (LLMs) have demonstrated exceptional performance across diverse tasks, yet their training remains highly resource intensive and susceptible to critical challenges such as training instability. A predominant source of this instability stems from gradient and loss spikes, which disrupt the learning process, often leading to costly interventions like checkpoint recovery and experiment restarts, further amplifying inefficiencies. This paper presents a comprehensive investigation into gradient spikes observed during LLM training, revealing their prevalence across multiple architectures and datasets. Our analysis shows that these spikes can be up to 1000× larger than typical gradients, substantially deteriorating model performance. To address this issue, we propose Spike-Aware Adam with Momentum Reset (SPAM), a novel optimizer designed to counteract gradient spikes through momentum reset and spike-aware gradient clipping. Extensive experiments, including both pre-training and fine-tuning, demonstrate that SPAM consistently surpasses Adam and its variants across a range of model scales. Additionally, SPAM facilitates memory-efficient training by enabling sparse momentum, where only a subset of momentum terms are maintained and updated. When operating under memory constraints, SPAM outperforms state-of-the-art memory-efficient optimizers such as GaLore and Adam-Mini. Our work underscores the importance of mitigating gradient spikes in LLM training and introduces an effective optimization strategy that enhances both training stability and resource efficiency at scale. Code is submitted.

Recent advances in vision-language models (VLMs) have made significant progress in downstream tasks that require quantitative concepts such as facial age estimation and image quality assessment, enabling VLMs to explore applications like image ranking and retrieval. However, existing studies typically focus on the reasoning based on a single image and heavily depend on text prompting, limiting their ability to learn comprehensive understanding from multiple images. To address this, we propose an effective yet efficient approach that reframes the CLIP model into a learning-to-rank task and introduces a lightweight adapter to augment CLIP for text-guided image ranking. Specifically, our approach incorporates learnable prompts to adapt to new instructions for ranking purposes and an auxiliary branch with ranking-aware attention, leveraging text-conditioned visual differences for additional supervision in image ranking. Our ranking-aware adapter consistently outperforms fine-tuned CLIPs on various tasks and achieves competitive results compared to state-of-the-art models designed for specific tasks like facial age estimation and image quality assessment. Overall, our approach primarily focuses on ranking images with a single instruction, which provides a natural and generalized way of learning from visual differences across images, bypassing the need for extensive text prompts tailored to individual tasks.

Large language models (LLMs) have shown immense potential across various domains, but their high memory requirements and inference costs remain critical challenges for deployment. Post-training quantization (PTQ) has emerged as a promising technique to reduce memory requirements and decoding latency. However, recent accurate quantization methods often depend on specialized computations or custom data formats to achieve better model quality, which limits their compatibility with popular frameworks, as they require dedicated inference kernels tailored to specific hardware and software platforms, hindering wider adoption. Furthermore, many competitive methods have high resource requirements and computational overhead for quantizing models, making it challenging to scale them to hundreds of billions of parameters. In response to these challenges, we propose LeanQuant (Loss-error-aware network Quantization), a novel quantization method that is accurate, versatile, and scalable. In the existing popular iterative loss-error-based quantization framework, we identify a critical limitation in prior methods: the min-max affine quantization grid fails to preserve model quality due to outliers in inverse Hessian diagonals. To overcome this fundamental issue, we propose learning loss-error-aware grids, instead of using non-adaptive min-max affine grids. Our approach not only produces quantized models that are more accurate but also generalizes to a wider range of quantization types, including affine and non-uniform quantization, enhancing compatibility with more frameworks. Extensive experiments with recent LLMs demonstrate that LeanQuant is highly accurate, comparing favorably against competitive baselines in model quality, and scalable, achieving very accurate quantization of Llama-3.1 405B, one of the largest open-source LLMs to date, using two Quadro RTX 8000-48GB GPUs in 21 hours. Our code is available at https://github.com/LeanModels/LeanQuant.

Real-world data distributions are often highly skewed. This has spurred a growing body of research on long-tailed recognition, aimed at addressing the imbalance in training classification models. Among the methods studied, multiplicative logit adjustment (MLA) stands out as a simple and effective method. What theoretical foundation explains the effectiveness of this heuristic method? We provide a justification for the effectiveness of MLA with the following two-step process. First, we develop a theory that adjusts optimal decision boundaries by estimating feature spread on the basis of neural collapse. Second, we demonstrate that MLA approximates this optimal method. Additionally, through experiments on long-tailed datasets, we illustrate the practical usefulness of MLA under more realistic conditions. We also offer experimental insights to guide the tuning of MLA hyperparameters.

The recent paradigm shift to large-scale foundation models has brought about a new era for deep learning that, while has found great success in practice, has also been plagued by prohibitively expensive costs in terms of high memory consumption and compute. To mitigate these issues, there has been a concerted effort in post-hoc neural network pruning techniques that do not require costly retraining. Despite the considerable progress being made, existing methods often exhibit a steady drop in model performance as the compression increases. In this paper, we present a novel approach to compressing large transformers, coined OATS, that compresses the model weights by approximating each weight matrix as the sum of a sparse matrix and a low-rank matrix. Prior to the decomposition, the weights are first scaled by the second moment of their input embeddings, so as to ensure the preservation of outlier features recently observed in large transformer models. Without retraining, OATS achieves state-of-the-art performance when compressing large language models, such as Llama-3 and Phi-3, and vision transformers, such as Google's ViT and DINOv2, by up to $60\\%$, all while speeding up the model's inference on a CPU by up to $1.37\times$ compared to prior pruning methods.

Classification tasks play a fundamental role in various applications, spanning domains such as healthcare, natural language processing and computer vision. With the growing popularity and capacity of machine learning models, people can easily access trained classifiers as a service online or offline. However, model use comes with a cost and classifiers of higher capacity (such as large foundation models) usually incur higher inference costs. To harness the respective strengths of different classifiers, we propose a principled approach, OCCAM, to compute the best classifier assignment strategy over classification queries (termed as the optimal model portfolio) so that the aggregated accuracy is maximized, under user-specified cost budgets. Our approach uses an unbiased and low-variance accuracy estimator and effectively computes the optimal solution by solving an integer linear programming problem. On a variety of real-world datasets, OCCAM achieves 40% cost reduction with little to no accuracy drop.

Manipulating objects with varying geometries and deformable objects is a major challenge in robotics. Tasks such as insertion with different objects or cloth hanging require precise control and effective modelling of complex dynamics. In this work, we frame this problem through the lens of a heterogeneous graph that comprises smaller sub-graphs, such as actuators and objects, accompanied by different edge types describing their interactions. This graph representation serves as a unified structure for both rigid and deformable objects tasks, and can be extended further to tasks comprising multiple actuators. To evaluate this setup, we present a novel and challenging reinforcement learning benchmark, including rigid insertion of diverse objects, as well as rope and cloth manipulation with multiple end-effectors. These tasks present a large search space, as both the initial and target configurations are uniformly sampled in 3D space. To address this issue, we propose a novel graph-based policy model, dubbed Heterogeneous Equivariant Policy (HEPi), utilizing $SE(3)$ equivariant message passing networks as the main backbone to exploit the geometric symmetry. In addition, by modeling explicit heterogeneity, HEPi can outperform Transformer-based and non-heterogeneous equivariant policies in terms of average returns, sample efficiency, and generalization to unseen objects. Our project page is available at https://thobotics.github.io/hepi.

Recent studies indicate that effectively utilizing inference-time compute is crucial for attaining good performance from large language models (LLMs). Specifically, the Best-of-N (BoN) inference strategy, where an LLM generates multiple responses and a verifier selects the best, has shown strong empirical performance. Motivated by this, we develop a novel inference-aware fine-tuning paradigm, which encompasses the BoN-aware inference framework as a special case. We devise the first imitation learning and reinforcement learning (RL) methods for fine-tuning LLMs using BoN, overcoming the challenging, non-differentiable argmax operator in BoN. We empirically demonstrate that our BoN-aware models implicitly learn a per-example "meta-strategy", which interleaves best responses with more diverse responses that might be better suited to a test-time input—a process reminiscent of the exploration-exploitation trade-off in RL. Our experiments demonstrate the effectiveness of BoN-aware fine-tuning in terms of improved performance and inference-time compute. In particular, we show that our methods improve the BoN performance of Gemma 2B on Hendrycks MATH from 26.8% to 30.8%, and Pass@K from 60% to 67%.