ICLR 2025 论文列表

Function calling significantly extends the application boundary of large language models (LLMs), where high-quality and diverse training data is critical for unlocking this capability. However, collecting and annotating real function-calling data is challenging, while synthetic data from existing pipelines often lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data, specifically tailored to the capabilities of LLMs. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, under the guidance of a complexity evaluator. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data---even with only 8B parameters---achieve state-of-the-art performance, comparable to the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

Programmatic reinforcement learning (PRL) has been explored for representing policies through programs as a means to achieve interpretability and generalization. Despite promising outcomes, current state-of-the-art PRL methods are hindered by sample inefficiency, necessitating tens of millions of program-environment interactions. To tackle this challenge, we introduce a novel LLM-guided search framework (LLM-GS). Our key insight is to leverage the programming expertise and common sense reasoning of LLMs to enhance the efficiency of assumption-free, random-guessing search methods. We address the challenge of LLMs' inability to generate precise and grammatically correct programs in domain-specific languages (DSLs) by proposing a Pythonic-DSL strategy — an LLM is instructed to initially generate Python codes and then convert them into DSL programs. To further optimize the LLM-generated programs, we develop a search algorithm named Scheduled Hill Climbing, designed to efficiently explore the programmatic search space to improve the programs consistently. Experimental results in the Karel domain demonstrate our LLM-GS framework's superior effectiveness and efficiency. Extensive ablation studies further verify the critical role of our Pythonic-DSL strategy and Scheduled Hill Climbing algorithm. Moreover, we conduct experiments with two novel tasks, showing that LLM-GS enables users without programming skills and knowledge of the domain or DSL to describe the tasks in natural language to obtain performant programs.

The increasing complexity and parameter count of Convolutional Neural Networks (CNNs) and Transformers pose challenges in terms of computational efficiency and resource demands. Pruning has been identified as an effective strategy to address these challenges by removing redundant elements such as neurons, channels, or connections, thereby enhancing computational efficiency without heavily compromising performance. This paper builds on the foundational work of Optimal Brain Damage (OBD) by advancing the methodology of parameter importance estimation using the Hessian matrix. Unlike previous approaches that rely on approximations, we introduce Optimal Brain Apoptosis (OBA), a novel pruning method that calculates the Hessian-vector product value directly for each parameter. By decomposing the Hessian matrix across network layers and identifying conditions under which inter-layer Hessian submatrices are non-zero, we propose a highly efficient technique for computing the second-order Taylor expansion of parameters. This approach allows for a more precise pruning process, particularly in the context of CNNs and Transformers, as validated in our experiments including VGG19, ResNet32, ResNet50, and ViT-B/16 on CIFAR10, CIFAR100 and Imagenet datasets. Our code is available at https://github.com/NEU-REAL/OBA.

Providing Large Language Models with relevant contextual knowledge at inference time has been shown to greatly improve the quality of their generations. This is often achieved by prepending informative passages of text, or 'contexts', retrieved from external knowledge bases to their input. However, processing additional contexts online incurs significant computation costs that scale with their length. State Space Models (SSMs) offer a promising solution by allowing a database of contexts to be mapped onto fixed-dimensional states from which to start the generation. A key challenge arises when attempting to leverage information present across multiple contexts, since there is no straightforward way to condition generation on multiple independent states in existing SSMs. To address this, we leverage a simple mathematical relation derived from SSM dynamics to compose multiple states into one that efficiently approximates the effect of concatenating raw context tokens. Since the temporal ordering of contexts can often be uninformative, we enforce permutation-invariance by efficiently averaging states obtained via our composition algorithm across all possible context orderings. We evaluate our resulting method on WikiText and MSMARCO in both zero-shot and fine-tuned settings, and show that we can match the strongest performing baseline while enjoying on average $5.4\times$ speedup.

Given a style-reference image as the additional image condition, text-to-image diffusion models have demonstrated impressive capabilities in generating images that possess the content of text prompts while adopting the visual style of the reference image. However, current state-of-the-art methods often struggle to disentangle content and style from style-reference images, leading to issues such as content leakages. To address this issue, we propose a masking-based method that efficiently decouples content from style without the need of tuning any model parameters. By simply masking specific elements in the style reference's image features, we uncover a critical yet under-explored principle: guiding with appropriately-selected fewer conditions (e.g., dropping several image feature elements) can efficiently avoid unwanted content flowing into the diffusion models, enhancing the style transfer performances of text-to-image diffusion models. In this paper, we validate this finding both theoretically and experimentally. Extensive experiments across various styles demonstrate the effectiveness of our masking-based method and support our theoretical results.

Reward models (RMs) play a pivotal role in aligning large language models (LLMs) with human preferences. However, traditional RM training, which relies on response pairs tied to specific prompts, struggles to disentangle prompt-driven preferences from prompt-independent artifacts, such as response length and format. In this work, we expose a fundamental limitation of current RM training methods, where RMs fail to effectively distinguish between contextual signals and irrelevant artifacts when determining preferences. To address this, we introduce a causal framework that learns preferences independent of these artifacts and propose a novel data augmentation technique designed to eliminate them. Extensive experiments show that our approach successfully filters out undesirable artifacts, yielding a more robust reward model (RRM). Our RRM improves the performance of a pairwise reward model trained on Gemma-2-9b-it, on Reward-Bench, increasing accuracy from 80.61% to 84.15%. Additionally, we train two DPO policies using both the RM and RRM, demonstrating that the RRM significantly enhances DPO-aligned policies, improving MT-Bench scores from 7.27 to 8.31 and length-controlled win-rates in AlpacaEval-2 from 33.46% to 52.49%.

Recently, Text-to-speech (TTS) models based on large language models (LLMs) that translate natural language text into sequences of discrete audio tokens have gained great research attention, with advances in neural audio codec (NAC) mod- els using residual vector quantization (RVQ). However, long-form speech synthe- sis remains a significant challenge due to the high frame rate, which increases the length of audio tokens and makes it difficult for autoregressive language models to generate audio tokens for even a minute of speech. To address this challenge, this paper introduces two novel post-training approaches: 1) Multi-Resolution Re- quantization (MReQ) and 2) HALL-E. MReQ is a framework to reduce the frame rate of pre-trained NAC models. Specifically, it incorporates multi-resolution residual vector quantization (MRVQ) module that hierarchically reorganizes dis- crete audio tokens through teacher-student distillation. HALL-E is an LLM-based TTS model designed to predict hierarchical tokens of MReQ. Specifically, it incor- porates the technique of using MRVQ sub-modules and continues training from a pre-trained LLM-based TTS model. Furthermore, to promote TTS research, we create MinutesSpeech, a new benchmark dataset consisting of 40k hours of filtered speech data for training and evaluating speech synthesis ranging from 3s up to 180s. In experiments, we demonstrated the effectiveness of our approaches by ap- plying our post-training framework to VALL-E. We achieved the frame rate down to as low as 8 Hz, enabling the stable minitue-long speech synthesis in a single inference step. Audio samples, dataset, codes and pre-trained models are available at https://yutonishimura-v2.github.io/HALL-E_DEMO.

Semi-supervised semantic segmentation aims to learn from a limited amount of labeled data and a large volume of unlabeled data, which has witnessed impressive progress with the recent advancement of deep neural networks. However, existing methods tend to neglect the fact of class imbalance issues, leading to the Matthew effect, that is, the poorly calibrated model’s predictions can be biased towards the majority classes and away from minority classes with fewer samples. In this work, we analyze the Matthew effect present in previous methods that hinder model learning from a discriminative perspective. In light of this background, we integrate generative models into semi-supervised learning, taking advantage of their better class-imbalance tolerance. To this end, we propose DiffMatch to formulate the semi-supervised semantic segmentation task as a conditional discrete data generation problem to alleviate the Matthew effect of discriminative solutions from a generative perspective. Plus, to further reduce the risk of overfitting to the head classes and to increase coverage of the tail class distribution, we mathematically derive a debiased adjustment to adjust the conditional reverse probability towards unbiased predictions during each sampling step. Extensive experimental results across multiple benchmarks, especially in the most limited label scenarios with the most serious class imbalance issues, demonstrate that DiffMatch performs favorably against state-of-the-art methods.

Molecular structure elucidation is a fundamental step in understanding chemical phenomena, with applications in identifying molecules in natural products, lab syntheses, forensic samples, and the interstellar medium. We consider the task of predicting a molecule's all-atom 3D structure given only its molecular formula and moments of inertia, motivated by the ability of rotational spectroscopy to measure these moments. While existing generative models can conditionally sample 3D structures with approximately correct moments, this soft conditioning fails to leverage the many digits of precision afforded by experimental rotational spectroscopy. To address this, we first show that the space of $n$-atom point clouds with a fixed set of moments of inertia is embedded in the Stiefel manifold $\mathrm{St}(n, 4)$. We then propose Stiefel Flow Matching as a generative model for elucidating 3D structure under exact moment constraints. Additionally, we learn simpler and shorter flows by finding approximate solutions for equivariant optimal transport on the Stiefel manifold. Empirically, enforcing exact moment constraints allows Stiefel Flow Matching to achieve higher success rates and faster sampling than Euclidean diffusion models, even on high-dimensional manifolds corresponding to large molecules in the GEOM dataset.

Recent privacy research on large language models (LLMs) has shown that they achieve near-human-level performance at inferring personal data from online texts. With ever-increasing model capabilities, existing text anonymization methods are currently lacking behind regulatory requirements and adversarial threats. In this work, we take two steps to bridge this gap: First, we present a new setting for evaluating anonymization in the face of adversarial LLM inferences, allowing for a natural measurement of anonymization performance while remedying some of the shortcomings of previous metrics. Then, within this setting, we develop a novel LLM-based adversarial anonymization framework leveraging the strong inferential capabilities of LLMs to inform our anonymization procedure. We conduct a comprehensive experimental evaluation of adversarial anonymization across 13 LLMs on real-world and synthetic online texts, comparing it against multiple baselines and industry-grade anonymizers. Our evaluation shows that adversarial anonymization outperforms current commercial anonymizers both in terms of the resulting utility and privacy. We support our findings with a human study (n=50) highlighting a strong and consistent human preference for LLM-anonymized texts.

Current auto-regressive mesh generation methods suffer from issues such as incompleteness, insufficient detail, and poor generalization. In this paper, we propose an Auto-regressive Auto-encoder (ArAE) model capable of generating high-quality 3D meshes with up to 4,000 faces at a spatial resolution of $512^3$. We introduce a novel mesh tokenization algorithm that efficiently compresses triangular meshes into 1D token sequences, significantly enhancing training efficiency. Furthermore, our model compresses variable-length triangular meshes into a fixed-length latent space, enabling training latent diffusion models for better generalization. Extensive experiments demonstrate the superior quality, diversity, and generalization capabilities of our model in both point cloud and image-conditioned mesh generation tasks.

Recently, patch-based models have been widely discussed in time series analysis. However, existing pretext tasks for patch-based learning, such as masking, may not capture essential time and channel-wise patch interdependencies in time series data, presumed to result in subpar model performance. In this work, we introduce *Patch order-aware Pretext Task (PPT)*, a new self-supervised patch order learning pretext task for time series classification. PPT exploits the intrinsic sequential order information among patches across time and channel dimensions of time series data, where model training is aided by channel-wise patch permutations. The permutation disrupts patch order consistency across time and channel dimensions with controlled intensity to provide supervisory signals for learning time series order characteristics. To this end, we propose two patch order-aware learning methods: patch order consistency learning, which quantifies patch order correctness, and contrastive learning, which distinguishes weakly permuted patch sequences from strongly permuted ones. With patch order learning, we observe enhanced model performance, e.g., improving up to 7% accuracy for the supervised cardiogram task and outperforming mask-based learning by 5% in the self-supervised human activity recognition task. We also propose ACF-CoS, an evaluation metric that measures the *importance of orderness* for time series datasets, which enables pre-examination of the efficacy of PPT in model training.

We introduce Block-attention, an attention mechanism designed to address the increased inference latency and cost in Retrieval-Augmented Generation (RAG) scenarios. Traditional approaches often encode the entire context in an auto-regressive manner. Instead, Block-attention divides retrieved documents into discrete blocks, with each block independently calculating key-value (KV) states except for the final block. In RAG scenarios, by defining each passage as a block, Block-attention enables us to reuse the KV states of passages that have been seen before, thereby significantly reducing the latency and the computation overhead during inference. The implementation of Block-attention involves block segmentation, position re-encoding, and fine-tuning the LLM to adapt to the Block-attention mechanism. Experiments on 11 diverse benchmarks, including RAG, ICL, and general domains, demonstrate that after block fine-tuning, the Block-attention model not only achieves performance comparable to that of full-attention models, but can also seamlessly switch between the block and full attention modes without any performance loss. Notably, Block-attention significantly reduces the time to first token (TTFT) and floating point operations (FLOPs) to a very low level. It only takes 45 ms to output the first token for an input sequence with a total length of 32K. Compared to the full-attention models, the TTFT and corresponding FLOPs are reduced by 98.7\% and 99.8\%, respectively. Additionally, in Appendix A, we elaborate on how Block-attention is applied in Game AI scenario and the substantial potential benefits it entails. We strongly suggest researchers in the gaming field not to overlook this section.

Whole-body control for humanoids is challenging due to the high-dimensional nature of the problem, coupled with the inherent instability of a bipedal morphology. Learning from visual observations further exacerbates this difficulty. In this work, we explore highly data-driven approaches to visual whole-body humanoid control based on reinforcement learning, without any simplifying assumptions, reward design, or skill primitives. Specifically, we propose a hierarchical world model in which a high-level agent generates commands based on visual observations for a low-level agent to execute, both of which are trained with rewards. Our approach produces highly performant control policies in 8 tasks with a simulated 56-DoF humanoid, while synthesizing motions that are broadly preferred by humans. Code and videos: https://www.nicklashansen.com/rlpuppeteer

Through alignment with human preferences, Large Language Models (LLMs) have advanced significantly in generating honest, harmless, and helpful responses. However, collecting high-quality preference data is a resource-intensive and creativity-demanding process, especially for the continual improvement of LLMs. We introduce SynPO, a self-boosting paradigm that leverages synthetic preference data for model alignment. SynPO employs an iterative mechanism wherein a self-prompt generator creates diverse prompts, and a response improver refines model responses progressively. This approach trains LLMs to autonomously learn the generative rewards for their own outputs and eliminates the need for large-scale annotation of prompts and human preferences. After four SynPO iterations, Llama3-8B and Mistral-7B show significant enhancements in instruction-following abilities, achieving over 22.1% win rate improvements on AlpacaEval 2.0 and ArenaHard. Simultaneously, SynPO improves the general performance of LLMs on various tasks, validated by a 3.2 to 5.0 average score increase on the well-recognized Open LLM leaderboard.

Large multimodal models (LMMs) "see" images by leveraging the attention mechanism between text and visual tokens in the transformer decoder. Ideally, these models should focus on key visual information relevant to the text token. However, recent findings indicate that LMMs have an extraordinary tendency to consistently allocate high attention weights to specific visual tokens, even when these tokens are irrelevant to the corresponding text. In this study, we investigate the property behind the appearance of these irrelevant visual tokens and examine their characteristics. Our findings show that this behavior arises due to the massive activation of certain hidden state dimensions, which resembles the attention sink found in language models. Hence, we refer to this phenomenon as the visual attention sink. In particular, our analysis reveals that removing the irrelevant visual sink tokens does not impact model performance, despite receiving high attention weights. Consequently, we recycle the attention to these tokens as surplus resources, redistributing the attention budget to enhance focus on the image. To achieve this, we introduce Visual Attention Redistribution (VAR), a method that redistributes attention in image-centric heads, which we identify as innately focusing on visual information. VAR can be seamlessly applied across different LMMs to improve performance on a wide range of tasks, including general vision-language tasks, visual hallucination tasks, and vision-centric tasks, all without the need for additional training, models, or inference steps. Experimental results demonstrate that VAR enables LMMs to process visual information more effectively by adjusting their internal attention mechanisms, offering a new direction to enhancing the multimodal capabilities of LMMs.

Subspace clustering is a classical unsupervised learning task, built on a basic assumption that high-dimensional data can be approximated by a union of subspaces (UoS). Nevertheless, the real-world data are often deviating from the UoS assumption. To address this challenge, state-of-the-art deep subspace clustering algorithms attempt to jointly learn UoS representations and self-expressive coefficients. However, the general framework of the existing algorithms suffers from feature collapse and lacks a theoretical guarantee to learn desired UoS representation. In this paper, we present a Principled fRamewOrk for Deep Subspace Clustering (PRO-DSC), which is designed to learn structured representations and self-expressive coefficients in a unified manner. Specifically, in PRO-DSC, we incorporate an effective regularization on the learned representations into the self-expressive model, prove that the regularized self-expressive model is able to prevent feature space collapse, and demonstrate that the learned optimal representations under certain condition lie on a union of orthogonal subspaces. Moreover, we provide a scalable and efficient approach to implement our PRO-DSC and conduct extensive experiments to verify our theoretical findings and demonstrate the superior performance of our proposed deep subspace clustering approach.

Non-Independent and Identically Distributed (Non-IID) training data significantly challenge federated learning (FL), impairing the performance of the global model in distributed frameworks. Inspired by the superior performance and generalizability of language-driven representation learning in centralized settings, we explore its potential to enhance FL for handling non-IID data. In specific, this paper introduces FedGLCL, a novel language-driven FL framework for image-text learning that uniquely integrates global language and local image features through contrastive learning, offering a new approach to tackle non-IID data in FL. FedGLCL redefines FL by avoiding separate local training models for each client. Instead, it uses contrastive learning to harmonize local image features with global textual data, enabling uniform feature learning across different local models. The utilization of a pre-trained text encoder in FedGLCL serves a dual purpose: it not only reduces the variance in local feature representations within FL by providing a stable and rich language context but also aids in mitigating overfitting, particularly to majority classes, by leveraging broad linguistic knowledge. Extensive experiments show that FedGLCL significantly outperforms state-of-the-art FL algorithms across different non-IID scenarios.

Crowd counting and localization involve extracting the number and distribution of crowds from images or videos using computer vision techniques. Most counting methods are based on density regression and are based on an ``intersection'' hypothesis, *i.e.*, one pixel is influenced by multiple points in the ground truth, which is inconsistent with reality since one pixel would not contain two objects. This paper proposes Proximal Mapping Loss (PML), a density regression method that eliminates this hypothesis. {PML} divides the predicted density map into multiple point-neighbor cases through the nearest neighbor, and then dynamically constructs a learning target for each sub-case via proximal mapping, leading to more robust and accurate training. {Furthermore}, PML is theoretically linked to various existing loss functions, such as Gaussian-blurred L2 loss, Bayesian loss, and the training schemes in P2PNet and DMC, demonstrating its versatility and adaptability. Experimentally, PML significantly improves the performance of crowd counting and localization, and illustrates the robustness against annotation noise. The code is available at [https://github.com/Elin24/pml](https://github.com/Elin24/pml).