ICLR 2025 Papers

The ever-increasing fine-tuning cost of large-scale pre-trained models gives rise to the importance of dataset pruning, which aims to reduce dataset size while maintaining task performance. However, existing dataset pruning methods require training on the entire dataset, which is impractical for large-scale pre-trained models. In this paper, we propose a straightforward, novel, and training-free hardness score named Distorting-based Learning Complexity (DLC), to identify informative images and instructions from the downstream dataset efficiently. Our method is motivated by the observation that easy samples learned faster can also be learned with fewer parameters. Specifically, we define the Learning Complexity to quantify sample hardness and utilize a lightweight weights masking process for fast estimation, instead of the costly SGD optimization. Based on DLC, we further design a flexible under-sampling strategy with randomness (dubbed FlexRand), replacing the top-K strategy, to alleviate the severe subset distribution shift. Extensive experiments with downstream image and instructions dataset pruning benchmarks demonstrate the effectiveness and efficiency of the proposed approach. In the images pruning benchmark, DLC significantly reduces the pruning time by 35$\times$ while establishing state-of-the-art performance with FlexRand.

Analog dynamical accelerators (DXs) are a growing sub-field in computer architecture research, offering order-of-magnitude gains in power efficiency and latency over traditional digital methods in several machine learning, optimization, and sampling tasks. However, limited-capacity accelerators require hybrid analog/digital algorithms to solve real-world problems, commonly using large-neighborhood local search (LNLS) frameworks. Unlike fully digital algorithms, hybrid LNLS has no non-asymptotic convergence guarantees and no principled hyperparameter selection schemes, particularly limiting cross-device training and inference. In this work, we provide non-asymptotic convergence guarantees for hybrid LNLS by reducing to block Langevin Diffusion (BLD) algorithms. Adapting tools from classical sampling theory, we prove exponential KL-divergence convergence for randomized and cyclic block selection strategies using ideal DXs. With finite device variation, we provide explicit bounds on the 2-Wasserstein bias in terms of step duration, noise strength, and function parameters. Our BLD model provides a key link between established theory and novel computing platforms, and our theoretical results provide a closed-form expression linking device variation, algorithm hyperparameters, and performance.

Key-Value (KV) caching is a common technique to enhance the computational efficiency of Large Language Models (LLMs), but its memory overhead grows rapidly with input length. Prior work has shown that not all tokens are equally important for text generation, proposing layer-level KV cache compression to selectively retain key information. Recognizing the distinct roles of attention heads in generation, we propose HeadKV, a head-level KV cache compression method, and HeadKV-R2, which leverages a novel contextual reasoning ability estimation for compression. Our approach operates at the level of individual heads, estimating their importance for contextual QA tasks that require both retrieval and reasoning capabilities. Extensive experiments across diverse benchmarks (LongBench, LooGLE), model architectures (e.g., Llama-3-8B-Instruct, Mistral-7B-Instruct), and long-context abilities tests demonstrate that our head-level KV cache compression significantly outperforms strong baselines, particularly in low-resource settings (KV size = 64 & 128). Notably, our method retains just 1.5% of the KV cache while achieving 97% of the performance of the full KV cache on the contextual question answering benchmark.

Source-Free Domain Adaptation (SFDA) aims to adapt a pre-trained source model to an unlabeled target domain with no access to the source data. Inspired by the success of large Vision-Language (ViL) models in many applications, the latest research has validated ViL's benefit for SFDA by using their predictions as pseudo supervision. However, we observe that ViL's supervision could be noisy and inaccurate at an unknown rate, potentially introducing additional negative effects during adaption. To address this thus-far ignored challenge, we introduce a novel Proxy Denoising (__ProDe__) approach. The key idea is to leverage the ViL model as a proxy to facilitate the adaptation process towards the latent domain-invariant space. Concretely, we design a proxy denoising mechanism to correct ViL's predictions. This is grounded on a proxy confidence theory that models the dynamic effect of proxy's divergence against the domain-invariant space during adaptation. To capitalize the corrected proxy, we further derive a mutual knowledge distilling regularization. Extensive experiments show that ProDe significantly outperforms the current state-of-the-art alternatives under both conventional closed-set setting and the more challenging open-set, partial-set, generalized SFDA, multi-target, multi-source, and test-time settings. Our code and data are available at https://github.com/tntek/source-free-domain-adaptation.

Recently, Role-Playing Agents (RPAs) have garnered increasing attention for their potential to deliver emotional value and facilitate sociological research. However, existing studies are primarily confined to the textual modality, unable to simulate humans' multimodal perceptual capabilities. To bridge this gap, we introduce the concept of Multimodal Role-Playing Agents (MRPAs), and propose a comprehensive framework, MMRole, for their development and evaluation, which comprises a personalized multimodal dataset and a robust evaluation approach. Specifically, we construct a large-scale, high-quality dataset, MMRole-Data, consisting of 85 characters, 11K images, and 14K single or multi-turn dialogues. Additionally, we present a robust evaluation approach, MMRole-Eval, encompassing eight metrics across three dimensions, where a reward model is designed to score MRPAs with the constructed ground-truth data for comparison. Moreover, we develop the first specialized MRPA, MMRole-Agent. Extensive evaluation results demonstrate the improved performance of MMRole-Agent and highlight the primary challenges in developing MRPAs, emphasizing the need for enhanced multimodal understanding and role-playing consistency. The data, code, and models are all available at https://github.com/YanqiDai/MMRole.

Integrating the 3D world into large language models (3D-based LLMs) has been a promising research direction for 3D scene understanding. However, current 3D-based LLMs fall short in situated understanding due to two key limitations: 1) existing 3D datasets are constructed from a global perspective of the 3D scenes and lack situated context. 2) the architectures of the current 3D-based LLMs lack an explicit mechanism for aligning situated spatial information between 3D representations and natural language, limiting their performance in tasks requiring precise spatial reasoning. In this work, we address these issues by introducing a scalable situated 3D dataset, named Spartun3D, that incorporates various situated spatial information. In addition, we propose a situated spatial alignment module to enhance the learning between 3D visual representations and their corresponding textual descriptions. Our experimental results demonstrate that both our dataset and alignment module enhance situated spatial understanding ability.

This paper presents a novel application of large language models (LLMs) to enhance user comprehension of privacy policies through an interactive dialogue agent. We demonstrate that LLMs significantly outperform traditional models in tasks like Data Practice Identification, Choice Identification, Policy Summarization, and Privacy Question Answering, setting new benchmarks in privacy policy analysis. Building on these findings, we introduce an innovative LLM-based agent that functions as an expert system for processing website privacy policies, guiding users through complex legal language without requiring them to pose specific questions. A user study with 100 participants showed that users assisted by the agent had higher comprehension levels (mean score of 2.6 out of 3 vs. 1.8 in the control group), reduced cognitive load (task difficulty ratings of 3.2 out of 10 vs. 7.8), increased confidence in managing privacy, and completed tasks in less time (5.5 minutes vs. 15.8 minutes). This work highlights the potential of LLM-based agents to transform user interaction with privacy policies, leading to more informed consent and empowering users in the digital services landscape.

The interrogation of cellular states and interactions in immunology research is an ever-evolving task, requiring adaptation to the current levels of high dimensionality. Cytometry enables high-dimensional profiling of immune cells, but its analysis is hindered by the complexity and variability of the data. We present MAESTRO, a self-supervised set representation learning model that generates vector representations of set-structured data, which we apply to learn immune profiles from cytometry data. Unlike previous studies only learn cell-level representations, whereas MAESTRO uses all of a sample's cells to learn a set representation. MAESTRO leverages specialized attention mechanisms to handle sets of variable number of cells and ensure permutation invariance, coupled with an online tokenizer by self-distillation framework. We benchmarked our model against existing cytometry approaches and other existing machine learning methods that have never been applied in cytometry. Our model outperforms existing approaches in retrieving cell-type proportions and capturing clinically relevant features for downstream tasks such as disease diagnosis and immune cell profiling.

Large language models (LLMs) exhibit varying strengths and weaknesses across different tasks, prompting recent studies to explore the benefits of ensembling models to leverage their complementary advantages. However, existing LLM ensembling methods often overlook model compatibility and struggle with inefficient alignment of probabilities across the entire vocabulary. In this study, we empirically investigate the factors influencing ensemble performance, identifying model performance, vocabulary size, and response style as key determinants, revealing that compatibility among models is essential for effective ensembling. This analysis leads to the development of a simple yet effective model selection strategy that identifies compatible models. Additionally, we introduce the \textsc{Uni}on \textsc{T}op-$k$ \textsc{E}nsembling (\textsc{UniTE}), a novel approach that efficiently combines models by focusing on the union of the top-k tokens from each model, thereby avoiding the need for full vocabulary alignment and reducing computational overhead. Extensive evaluations across multiple benchmarks demonstrate that \textsc{UniTE} significantly enhances performance compared to existing methods, offering a more efficient framework for LLM ensembling.

Large Language Model (LLM) based agents have proved their ability to perform complex tasks like humans. However, there is still a large gap between open-sourced LLMs and commercial models like the GPT series. In this paper, we focus on improving the agent generalization capabilities of LLMs via instruction tuning. We first observe that the existing agent training corpus exhibits satisfactory results on held-in evaluation sets but fails to generalize to held-out sets. These agent-tuning works face severe formatting errors and are frequently stuck in the same mistake for a long while. We analyze that the poor generalization ability comes from overfitting to several manual agent environments and a lack of adaptation to new situations. They struggle with the wrong action steps and can not learn from the experience but just memorize existing observation-action relations. Inspired by the insight, we propose a novel AgentRefine framework for agent-tuning. The core idea is to enable the model to learn to correct its mistakes via observation in the trajectory. Specifically, we propose an agent synthesis framework to encompass a diverse array of environments and tasks and prompt a strong LLM to refine its error action according to the environment feedback. AgentRefine significantly outperforms state-of-the-art agent-tuning work in terms of generalization ability on diverse agent tasks. It also has better robustness facing perturbation and can generate diversified thought in inference. Our findings establish the correlation between agent generalization and self-refinement and provide a new paradigm for future research.

Multimodal large language models (MLLMs) have recently shown great progress in text-rich image understanding, yet they still struggle with complex, multi-page visually-rich documents. Traditional methods using document parsers for retrieval-augmented generation suffer from performance and efficiency limitations, while directly presenting all pages to MLLMs leads to inefficiencies, especially with lengthy ones. In this work, we present a novel framework named **S**elf-**V**isual **R**etrieval-**A**ugmented **G**eneration (SV-RAG), which can broaden horizons of *any* MLLM to support long-document understanding. We demonstrate that **MLLMs themselves can be an effective multimodal retriever** to fetch relevant pages and then answer user questions based on these pages. SV-RAG is implemented with two specific MLLM adapters, one for evidence page retrieval and the other for question answering. Empirical results show state-of-the-art performance on public benchmarks, demonstrating the effectiveness of SV-RAG.

This paper studies stochastic contextual bandits with knapsack constraints (CBwK), where a learner observes a context, takes an action, receives a reward, and incurs a vector of costs at every round. The learner aims to maximize the cumulative rewards across $T$ rounds under the knapsack constraints with an initial budget of $B$. We study CBwK in the small budget regime where the budget $B = \Omega(\sqrt{T})$ and propose an Adaptive and Universal Primal--Dual algorithm (AUPD) that achieves strong regret performance: i) AUPD achieves $\tilde{O}((1 + \frac{\nu^*}{\delta b})\sqrt{T})$ regret under the strict feasibility assumption without any prior information, matching the best-known bounds; ii) AUPD achieves $\tilde{O}(\sqrt{T}+ \frac{\nu^*}{\sqrt{b}}T^{\frac{3}{4}})$ regret without strict feasibility assumption, which, to the best of our knowledge, is the first result in the literature. Here, the parameter $\nu^*$ represents the optimal average reward; $b=B/T$ is the average budget and $\delta b$ is the feasibility/safety margin. We establish these strong results through the adaptive budget-aware design, which effectively balances reward maximization and budget consumption. We provide a new perspective on analyzing budget consumption using the Lyapunov drift method, along with a refined analysis of its cumulative variance. Our theory is further supported by experiments conducted on a large-scale dataset.

Online learning is more adaptable to real-world scenarios in Vertical Federated Learning (VFL) compared to offline learning. However, integrating online learning into VFL presents challenges due to the unique nature of VFL, where clients possess non-intersecting feature sets for the same sample. In real-world scenarios, the clients may not receive data streaming for the disjoint features for the same entity synchronously. Instead, the data are typically generated by an *event* relevant to only a subset of clients. We are the first to identify these challenges in online VFL, which have been overlooked by previous research. To address these challenges, we proposed an event-driven online VFL framework. In this framework, only a subset of clients were activated during each event, while the remaining clients passively collaborated in the learning process. Furthermore, we incorporated *dynamic local regret (DLR)* into VFL to address the challenges posed by online learning problems with non-convex models within a non-stationary environment. We conducted a comprehensive regret analysis of our proposed framework, specifically examining the DLR under non-convex conditions with event-driven online VFL. Extensive experiments demonstrated that our proposed framework was more stable than the existing online VFL framework under non-stationary data conditions while also significantly reducing communication and computation costs.

Large Language Models (LLMs) generate text by sampling the next token from a probability distribution over the vocabulary at each decoding step. Popular sampling methods like top-p (nucleus sampling) often struggle to balance quality and diversity, especially at higher temperatures which lead to incoherent or repetitive outputs. We propose min-p sampling, a dynamic truncation method that adjusts the sampling threshold based on the model's confidence by using the top token's probability as a scaling factor. Our experiments on benchmarks including GPQA, GSM8K, and AlpacaEval Creative Writing show that min-p sampling improves both the quality and diversity of generated text across different model families (Mistral and Llama 3) and model sizes (1B to 123B parameters), especially at higher temperatures. Human evaluations further show a clear preference for min-p sampling, in both text quality and creativity. Min-p sampling has been adopted by popular open-source LLM frameworks, including Hugging Face Transformers, VLLM, and many others, highlighting its considerable impact on improving text generation quality.

The performance of unsupervised methods such as clustering depends on the choice of distance metric between features, or ground metric. Commonly, ground metrics are decided with heuristics or learned via supervised algorithms. However, since many interesting datasets are unlabelled, unsupervised ground metric learning approaches have been introduced. One promising option employs Wasserstein singular vectors (WSVs), which emerge when computing optimal transport distances between features and samples simultaneously. WSVs are effective, but can be prohibitively computationally expensive in some applications: $\mathcal{O}(n^2m^2(n \log(n) + m \log(m))$ for $n$ samples and $m$ features. In this work, we propose to augment the WSV method by embedding samples and features on trees, on which we compute the tree-Wasserstein distance (TWD). We demonstrate theoretically and empirically that the algorithm converges to a better approximation of the standard WSV approach than the best known alternatives, and does so with $\mathcal{O}(n^3+m^3+mn)$ complexity. In addition, we prove that the initial tree structure can be chosen flexibly, since tree geometry does not constrain the richness of the approximation up to the number of edge weights. This proof suggests a fast and recursive algorithm for computing the tree parameter basis set, which we find crucial to realising the efficiency gains at scale. Finally, we employ the tree-WSV algorithm to several single-cell RNA sequencing genomics datasets, demonstrating its scalability and utility for unsupervised cell-type clustering problems. These results poise unsupervised ground metric learning with TWD as a low-rank approximation of WSV with the potential for widespread application.

Task-specific fine-tuning is essential for the deployment of large language models (LLMs), but it requires significant computational resources and time. Existing solutions have proposed coreset selection methods to improve data efficiency and reduce model training overhead, but they still have limitations: ❶ Overlooking valuable samples at high pruning rates, which degrades the coreset’s performance. ❷ Requiring high time overhead during coreset selection to fine-tune and evaluate the target LLM. In this paper, we introduce STAFF, a speculative coreset selection method. STAFF leverages a small model from the same family as the target LLM to efficiently estimate data scores and then verifies the scores on the target LLM to accurately identify and allocate more selection budget to important regions while maintaining coverage of easy regions. We evaluate STAFF on three LLMs and three downstream tasks and show that STAFF improves the performance of SOTA methods by up to 54.3% and reduces selection overhead by up to 70.5% at different pruning rates. Furthermore, we observe that the coreset selected by STAFF at low pruning rates (i.e., 20%) can even obtain better fine-tuning performance than the full dataset.

Sparse Principal Component Analysis (Sparse PCA) is a pivotal tool in data analysis and dimensionality reduction. However, Sparse PCA is a challenging problem in both theory and practice: it is known to be NP-hard and current exact methods generally require exponential runtime. In this paper, we propose a novel framework to efficiently approximate Sparse PCA by (i) approximating the general input covariance matrix with a re-sorted block-diagonal matrix, (ii) solving the Sparse PCA sub-problem in each block, and (iii) reconstructing the solution to the original problem. Our framework is simple and powerful: it can leverage any off-the-shelf Sparse PCA algorithm and achieve significant computational speedups, with a minor additive error that is linear in the approximation error of the block-diagonal matrix. Suppose $g(k, d)$ is the runtime of an algorithm (approximately) solving Sparse PCA in dimension $d$ and with sparsity constant $k$. Our framework, when integrated with this algorithm, reduces the runtime to $\mathcal{O}\left(\frac{d}{d^\star} \cdot g(k, d^\star) + d^2\right)$, where $d^\star \leq d$ is the largest block size of the block-diagonal matrix. For instance, integrating our framework with the Branch-and-Bound algorithm reduces the complexity from $g(k, d) = \mathcal{O}(k^3\cdot d^k)$ to $\mathcal{O}(k^3\cdot d \cdot (d^\star)^{k-1})$, demonstrating exponential speedups if $d^\star$ is small. We perform large-scale evaluations on many real-world datasets: for exact Sparse PCA algorithm, our method achieves an average speedup factor of 100.50, while maintaining an average approximation error of 0.61%; for approximate Sparse PCA algorithm, our method achieves an average speedup factor of 6.00 and an average approximation error of -0.91%, meaning that our method oftentimes finds better solutions.

Score distillation sampling (SDS) has emerged as an effective framework in text-driven 3D editing tasks, leveraging diffusion models for 3D-consistent editing. However, existing SDS-based 3D editing methods suffer from long training times and produce low-quality results. We identify that the root cause of this performance degradation is their conflict with the sampling dynamics of diffusion models. Addressing this conflict allows us to treat SDS as a diffusion reverse process for 3D editing via sampling from data space. In contrast, existing methods naively distill the score function using diffusion models. From these insights, we propose DreamCatalyst, a novel framework that considers these sampling dynamics in the SDS framework. Specifically, we devise the optimization process of our DreamCatalyst to approximate the diffusion reverse process in editing tasks, thereby aligning with diffusion sampling dynamics. As a result, DreamCatalyst successfully reduces training time and improves editing quality. Our method offers two modes: (1) a fast mode that edits Neural Radiance Fields (NeRF) scenes approximately 23 times faster than current state-of-the-art NeRF editing methods, and (2) a high-quality mode that produces superior results about 8 times faster than these methods. Notably, our high-quality mode outperforms current state-of-the-art NeRF editing methods in terms of both speed and quality. DreamCatalyst also surpasses the state-of-the-art 3D Gaussian Splatting (3DGS) editing methods, establishing itself as an effective and model-agnostic 3D editing solution.

Direct Preference Optimization (DPO) has emerged as a stable, scalable, and efficient solution for language model alignment. Despite its empirical success, the optimization properties, particularly the impact of samplers on its convergence rates, remain under-explored. In this paper, we provide a rigorous analysis of DPO's convergence rates with different sampling strategies under the exact gradient setting, revealing a surprising separation: uniform sampling achieves $\textbf{linear}$ convergence, while our proposed online sampler achieves $\textbf{quadratic}$ convergence. We further adapt the sampler to practical settings by incorporating posterior distributions and logit mixing, demonstrating improvements over previous methods. For example, it outperforms vanilla DPO by over $7.4$% on Safe-RLHF dataset. Our results not only offer insights into the theoretical understanding of DPO but also pave the way for further algorithm designs.