ICLR 2025 论文列表

Large scale language models have achieved superior performance in tasks related to natural language processing, however, it is still unclear how model parameters affect performance improvement. Previous studies assumed that individual knowledge is stored in local parameters, and the storage form of individual knowledge is dispersed parameters, parameter layers, or parameter chains, which are not unified. We found through fidelity and reliability evaluation experiments that individual knowledge cannot be localized. Afterwards, we constructed a dataset for decoupling experiments and discovered the potential for localizing data commonalities. To further reveal this phenomenon, this paper proposes a **C**ommonality **N**euron **L**ocalization (**CNL**) method, which successfully locates commonality neurons and achieves a neuron overlap rate of 96.42% on the GSM8K dataset. Finally, we have demonstrated through cross data experiments that commonality neurons are a collection of capability neurons that possess the capability to enhance performance. Our code is available at https://github.com/nlpkeg/Capability-Neuron-Localization.

Given the ability to model more realistic and dynamic problems, Federated Continual Learning (FCL) has been increasingly investigated recently. A well-known problem encountered in this setting is the so-called catastrophic forgetting, for which the learning model is inclined to focus on more recent tasks while forgetting the previously learned knowledge. The majority of the current approaches in FCL propose generative-based solutions to solve said problem. However, this setting requires multiple training epochs over the data, implying an offline setting where datasets are stored locally and remain unchanged over time. Furthermore, the proposed solutions are tailored for vision tasks solely. To overcome these limitations, we propose a new approach to deal with different modalities in the online scenario where new data arrive in streams of mini-batches that can only be processed once. To solve catastrophic forgetting, we propose an uncertainty-aware memory-based approach. Specifically, we suggest using an estimator based on the Bregman Information (BI) to compute the model's variance at the sample level. Through measures of predictive uncertainty, we retrieve samples with specific characteristics, and – by retraining the model on such samples – we demonstrate the potential of this approach to reduce the forgetting effect in realistic settings while maintaining data confidentiality and competitive communication efficiency compared to state-of-the-art approaches.

Selecting high-quality pre-training data for large language models (LLMs) is crucial for enhancing their overall performance under limited computation budget, improving both training and sample efficiency. Recent advancements in file selection primarily rely on using an existing or trained proxy model to assess the similarity of samples to a target domain, such as high quality sources BookCorpus and Wikipedia. However, upon revisiting these methods, the domain-similarity selection criteria demonstrates a diversity dilemma, i.e. dimensional collapse in the feature space, improving performance on the domain-related tasks but causing severe degradation on generic performance.To prevent collapse and enhance diversity, we propose a DiverSified File selection algorithm (DiSF), which selects the most decorrelated text files in the feature space. We approach this with a classical greedy algorithm to achieve more uniform eigenvalues in the feature covariance matrix of the selected texts, analyzing its approximation to the optimal solution under a formulation of $\gamma$-weakly submodular optimization problem. Empirically, we establish a benchmark and conduct extensive experiments on the TinyLlama architecture with models from 120M to 1.1B parameters. Evaluating across nine tasks from the Harness framework, DiSF demonstrates a significant improvement on overall performance. Specifically, DiSF saves 98.5\% of 590M training files in SlimPajama, outperforming the full-data pre-training within a 50B training budget, and achieving about 1.5x training efficiency and 5x data efficiency. Source code is available at: https://github.com/MediaBrain-SJTU/DiSF.git.

We consider a stochastic sparse linear bandit problem where only a sparse subset of context features affects the expected reward function, i.e., the unknown reward parameter has a sparse structure. In the existing Lasso bandit literature, the compatibility conditions, together with additional diversity conditions on the context features are imposed to achieve regret bounds that only depend logarithmically on the ambient dimension $d$. In this paper, we demonstrate that even without the additional diversity assumptions, the \textit{compatibility condition on the optimal arm} is sufficient to derive a regret bound that depends logarithmically on $d$, and our assumption is strictly weaker than those used in the lasso bandit literature under the single-parameter setting. We propose an algorithm that adapts the forced-sampling technique and prove that the proposed algorithm achieves $\mathcal{O}(\text{poly}\log dT)$ regret under the margin condition. To our knowledge, the proposed algorithm requires the weakest assumptions among Lasso bandit algorithms under the single-parameter setting that achieve $\mathcal{O}(\text{poly}\log dT)$ regret. Through numerical experiments, we confirm the superior performance of our proposed algorithm.

Curriculum learning aims to accelerate reinforcement learning (RL) by generating curricula, i.e., sequences of tasks of increasing difficulty. Although existing curriculum generation approaches provide benefits in sample efficiency, they overlook safety-critical settings where an RL agent must adhere to safety constraints. Thus, these approaches may generate tasks that cause RL agents to violate safety constraints during training and behave suboptimally after. We develop a safe curriculum generation approach (SCG) that aligns the objectives of constrained RL and curriculum learning: improving safety during training and boosting sample efficiency. SCG generates sequences of tasks where the RL agent can be safe and performant by initially generating tasks with minimum safety violations over high-reward ones. We empirically show that compared to the state-of-the-art curriculum learning approaches and their naively modified safe versions, SCG achieves optimal performance and the lowest amount of constraint violations during training.

Action anticipation models require an understanding of temporal action patterns and dependencies to predict future actions from previous events. The key challenges arise from the vast number of possible action sequences, given the flexibility in action ordering and the interleaving of multiple goals. Since only a subset of such action sequences are present in action anticipation datasets, there is an inherent ordering bias in them. Another challenge is the presence of noisy input to the models due to erroneous action recognition or other upstream tasks. This paper addresses these challenges by introducing a novel data augmentation strategy that separately augments observed action sequences and next actions. To address biased action ordering, we introduce a grammar induction algorithm that derives a powerful context-free grammar from action sequence data. We also develop an efficient parser to generate plausible next-action candidates beyond the ground truth. For noisy input, we enhance model robustness by randomly deleting or replacing actions in observed sequences. Our experiments on the 50Salads, EGTEA Gaze+, and Epic-Kitchens-100 datasets demonstrate significant performance improvements over existing state-of-the-art methods.

Large language models (LLMs) have shown significant multilingual capabilities. However, the mechanisms underlying the development of these capabilities during pre-training are not well understood. In this paper, we use code LLMs as an experimental platform to explore the evolution of multilingual capabilities in LLMs during the pre-training process. Based on our observations, we propose the Babel Tower Hypothesis, which describes the entire process of LLMs acquiring new language capabilities. During the learning process, multiple languages initially share a single knowledge system dominated by the primary language and gradually develop language-specific knowledge systems. We then validate the above hypothesis by tracking the internal states of the LLM using specific methods. Experimental results show that the internal state changes of the LLM are consistent with our Babel Tower Hypothesis. Building on these insights, we propose a novel method to construct an optimized pre-training corpus for multilingual code LLMs, which significantly outperforms LLMs trained on the original corpus. The proposed Babel Tower Hypothesis provides new insights into designing pre-training data distributions to achieve optimal multilingual capabilities in LLMs.

Bayesian Neural Networks (BNNs) provide a promising framework for modeling predictive uncertainty and enhancing out-of-distribution robustness (OOD) by estimating the posterior distribution of network parameters. Stochastic Gradient Markov Chain Monte Carlo (SGMCMC) is one of the most powerful methods for scalable posterior sampling in BNNs, achieving efficiency by combining stochastic gradient descent with second-order Langevin dynamics. However, SGMCMC often suffers from limited sample diversity in practice, which affects uncertainty estimation and model performance. We propose a simple yet effective approach to enhance sample diversity in SGMCMC without the need for tempering or running multiple chains. Our approach reparameterizes the neural network by decomposing each of its weight matrices into a product of matrices, resulting in a sampling trajectory that better explores the target parameter space. This approach produces a more diverse set of samples, allowing faster mixing within the same computational budget. Notably, our sampler achieves these improvements without increasing the inference cost compared to the standard SGMCMC. Extensive experiments on image classification tasks, including OOD robustness, diversity, loss surface analyses, and a comparative study with Hamiltonian Monte Carlo, demonstrate the superiority of the proposed approach.

Deep Generative Models are frequently used to learn continuous representations of complex data distributions by training on a finite number of samples. For any generative model, including pre-trained foundation models with Diffusion or Transformer architectures, generation performance can significantly vary across the learned data manifold. In this paper, we study the local geometry of the learned manifold and its relationship to generation outcomes for a wide range of generative models, including DDPM, Diffusion Transformer (DiT), and Stable Diffusion 1.4. Building on the theory of continuous piecewise-linear (CPWL) generators, we characterize the local geometry in terms of three geometric descriptors - scaling ($\psi$), rank ($\nu$), and complexity/un-smoothness ($\delta$). We provide quantitative and qualitative evidence showing that for a given latent vector, the local descriptors are indicative of post-generation aesthetics, generation diversity, and memorization by the generative model. Finally, we demonstrate that by training a reward model on the 'local scaling' for Stable Diffusion, we can self-improve both generation aesthetics and diversity using geometry sensitive guidance during denoising. Website: https://imtiazhumayun.github.io/generative_geometry.

Within the scaling laws paradigm, which underpins the training of large neural networks like ChatGPT and Llama, we consider a supervised regression setting and establish a strong form of the model collapse phenomenon, a critical performance degradation due to synthetic data in the training corpus. Our results show that even the smallest fraction of synthetic data (e.g., as little as 1 per 1000) can still lead to model collapse: larger and larger training sets do not enhance performance. We further investigate whether increasing model size, an approach aligned with current trends in training large language models, exacerbates or mitigates model collapse. In a simplified regime where neural networks are approximated via random projections of tunable size, we both theoretically and empirically show that larger models can amplify model collapse. Interestingly, our theory also indicates that, beyond the interpolation threshold (which can be extremely high for very large datasets), larger models may mitigate the collapse, although they do not entirely prevent it. Our theoretical findings are empirically verified through experiments on language models and neural networks for images.

Diffusion models have led to significant advancements in generative modelling. Yet their widespread adoption poses challenges regarding data attribution and interpretability. In this paper, we aim to help address such challenges in diffusion models by extending influence functions. Influence function-based data attribution methods approximate how a model's output would have changed if some training data were removed. In supervised learning, this is usually used for predicting how the loss on a particular example would change. For diffusion models, we focus on predicting the change in the probability of generating a particular example via several proxy measurements. We show how to formulate influence functions for such quantities and how previously proposed methods can be interpreted as particular design choices in our framework. To ensure scalability of the Hessian computations in influence functions, we use a K-FAC approximation based on generalised Gauss-Newton matrices specifically tailored to diffusion models. We show that our recommended method outperforms previously proposed data attribution methods on common data attribution evaluations, such as the Linear Data-modelling Score (LDS) or retraining without top influences, without the need for method-specific hyperparameter tuning.

Diffusion models have emerged as highly effective techniques for inpainting, however, they remain constrained by slow sampling rates. While recent advances have enhanced generation quality, they have also increased sampling time, thereby limiting scalability in real-world applications. We investigate the generative sampling process of diffusion-based inpainting models and observe that these models make minimal use of the input condition during the initial sampling steps. As a result, the sampling trajectory deviates from the data manifold, requiring complex synchronization mechanisms to realign the generation process. To address this, we propose Time-aware Diffusion Paint (TD-Paint), a novel approach that adapts the diffusion process by modeling variable noise levels at the pixel level. This technique allows the model to efficiently use known pixel values from the start, guiding the generation process toward the target manifold. By embedding this information early in the diffusion process, TD-Paint significantly accelerates sampling without compromising image quality. Unlike conventional diffusion-based inpainting models, which require a dedicated architecture or an expensive generation loop, TD-Paint achieves faster sampling times without architectural modifications. Experimental results across three datasets show that TD-Paint outperforms state-of-the-art diffusion models while maintaining lower complexity.

Advancements in distributed training and efficient attention mechanisms have significantly expanded the context window sizes of large language models (LLMs). However, recent work reveals that the effective context lengths of open-source LLMs often fall short, typically not exceeding half of their training lengths. In this work, we attribute this limitation to the left-skewed frequency distribution of relative positions formed in LLMs pretraining and post-training stages, which impedes their ability to effectively gather distant information. To address this challenge, we introduce Shifted Rotray Position Embedding (STRING). STRING shifts well-trained positions to overwrite the original ineffective positions during inference, enhancing performance within their existing training lengths. Experimental results show that without additional training, STRING dramatically improves the performance of the latest large-scale models, such as Llama3.1 70B and Qwen2 72B, by over 10 points on popular long-context benchmarks RULER and InfiniteBench, establishing new state-of-the-art results for open-source LLMs. Compared to commercial models, Llama 3.1 70B with STRING even achieves better performance than GPT-4-128K and clearly surpasses Claude 2 and Kimi-chat.

Studies of the functional role of the primate ventral visual stream have traditionally focused on object categorization, often ignoring -- despite much prior evidence -- its role in estimating "spatial" latents such as object position and pose. Most leading ventral stream models are derived by optimizing networks for object categorization, which seems to imply that the ventral stream is also derived under such an objective. Here, we explore an alternative hypothesis: Might the ventral stream be optimized for estimating spatial latents? And a closely related question: How different -- if at all -- are representations learned from spatial latent estimation compared to categorization? To ask these questions, we leveraged synthetic image datasets generated by a 3D graphic engine and trained convolutional neural networks (CNNs) to estimate different combinations of spatial and category latents. We found that models trained to estimate just a few spatial latents achieve neural alignment scores comparable to those trained on hundreds of categories, and the spatial latent performance of models strongly correlates with their neural alignment. Spatial latent and category-trained models have very similar -- but not identical -- internal representations, especially in their early and middle layers. We provide evidence that this convergence is partly driven by non-target latent variability in the training data, which facilitates the implicit learning of representations of those non-target latents. Taken together, these results suggest that many training objectives, such as spatial latents, can lead to similar models aligned neurally with the ventral stream. Thus, one should not assume that the ventral stream is optimized for object categorization only. As a field, we need to continue to sharpen our measures of comparing models to brains to better understand the functional roles of the ventral stream.

Offline reinforcement learning (RL) aims to optimize policies under pre-collected data, without requiring any further interactions with the environment. Derived from imitation learning, Behavior cloning (BC) is extensively utilized in offline RL for its simplicity and effectiveness. Although BC inherently avoids out-of-distribution deviations, it lacks the ability to discern between high and low-quality data, potentially leading to sub-optimal performance when facing with poor-quality data. Current offline RL algorithms attempt to enhance BC by incorporating value estimation, yet often struggle to effectively balance these two critical components, specifically the alignment between the behavior policy and the pre-trained value estimations under in-sample offline data. To address this challenge, we propose the Value-aligned Behavior Cloning via Bi-level Optimization (VACO), a novel bi-level framework that seamlessly integrates an inner loop for weighted supervised behavior cloning (BC) with an outer loop dedicated to value alignment. In this framework, the inner loop employs a meta-scoring network to evaluate and appropriately weight each training sample, while the outer loop maximizes value estimation for alignment with controlled noise to facilitate limited exploration. This bi-level structure allows VACO to identify the optimal weighted BC policy, ultimately maximizing the expected estimated return conditioned on the learned value function. We conduct a comprehensive evaluation of VACO across a variety of continuous control benchmarks in offline RL, where it consistently achieves superior performance compared to existing state-of-the-art methods.

Large language models are pre-trained on uncurated text datasets consisting of trillions of tokens scraped from the Web. Prior work has shown that: (1) web-scraped pre-training datasets can be practically poisoned by malicious actors; and (2) adversaries can compromise language models after poisoning fine-tuning datasets. Our work evaluates for the first time whether language models can also be \emph{compromised during pre-training}, with a focus on the persistence of pre-training attacks after models are fine-tuned as helpful and harmless chatbots (i.e., after SFT and DPO). We pre-train a series of LLMs from scratch to measure the impact of a potential poisoning adversary under four different attack objectives (denial-of-service, belief manipulation, jailbreaking, and prompt stealing), and across a wide range of model sizes (from 600M to 7B). Our main result is that poisoning only 0.1% of a model's pre-training dataset is sufficient for three out of four attacks to measurably persist through post-training. Moreover, simple attacks like denial-of-service persist through post-training with a poisoning rate of only 0.001%.

Embodied AI represents systems where AI is integrated into physical entities. Multimodal Large Language Model (LLM), which exhibits powerful language understanding abilities, has been extensively employed in embodied AI by facilitating sophisticated task planning. However, a critical safety issue remains overlooked: could these embodied LLMs perpetrate harmful behaviors? In response, we introduce BadRobot, the first attack paradigm designed to jailbreak robotic manipulation, making embodied LLMs violate safety and ethical constraints through typical voice-based user-system interactions. Specifically, three vulnerabilities are exploited to achieve this type of attack: (i) manipulation of LLMs within robotic systems, (ii) misalignment between linguistic outputs and physical actions, and (iii) unintentional hazardous behaviors caused by world knowledge's flaws. Furthermore, we construct a benchmark of various malicious physical action queries to evaluate BadRobot's attack performance. Based on this benchmark, extensive experiments against existing prominent embodied LLM frameworks (e.g., Voxposer, Code as Policies, and ProgPrompt) demonstrate the effectiveness of our BadRobot. We emphasize that addressing this emerging vulnerability is crucial for the secure deployment of LLMs in robotics. Warning: This paper contains harmful AI-generated language and aggressive actions.

Learning disentangled representations from unlabelled data is a fundamental challenge in machine learning. Solving it may unlock other problems, such as generalization, interpretability, or fairness. Although remarkably challenging to solve in theory, disentanglement is often achieved in practice through prior matching. Furthermore, recent works have shown that prior matching approaches can be enhanced by leveraging geometrical considerations, e.g., by learning representations that preserve geometric features of the data, such as distances or angles between points. However, matching the prior while preserving geometric features is challenging, as a mapping that *fully* preserves these features while aligning the data distribution with the prior does not exist in general. To address these challenges, we introduce a novel approach to disentangled representation learning based on quadratic optimal transport. We formulate the problem using Gromov-Monge maps that transport one distribution onto another with minimal distortion of predefined geometric features, preserving them *as much as can be achieved*. To compute such maps, we propose the Gromov-Monge-Gap (GMG), a regularizer quantifying whether a map moves a reference distribution with minimal geometry distortion. We demonstrate the effectiveness of our approach for disentanglement across four standard benchmarks, outperforming other methods leveraging geometric considerations.

Denoising diffusion bridge models (DDBMs) are a powerful variant of diffusion models for interpolating between two arbitrary paired distributions given as endpoints. Despite their promising performance in tasks like image translation, DDBMs require a computationally intensive sampling process that involves the simulation of a (stochastic) differential equation through hundreds of network evaluations. In this work, we take the first step in fast sampling of DDBMs without extra training, motivated by the well-established recipes in diffusion models. We generalize DDBMs via a class of non-Markovian diffusion bridges defined on the discretized timesteps concerning sampling, which share the same marginal distributions and training objectives, give rise to generative processes ranging from stochastic to deterministic, and result in diffusion bridge implicit models (DBIMs). DBIMs are not only up to 25$\times$ faster than the vanilla sampler of DDBMs but also induce a novel, simple, and insightful form of ordinary differential equation (ODE) which inspires high-order numerical solvers. Moreover, DBIMs maintain the generation diversity in a distinguished way, by using a booting noise in the initial sampling step, which enables faithful encoding, reconstruction, and semantic interpolation in image translation tasks. Code is available at \url{https://github.com/thu-ml/DiffusionBridge}.