ICLR 2025 论文列表

We present Synthio, a novel approach for augmenting small-scale audio classification datasets with synthetic data. Our goal is to improve audio classification accuracy with limited labeled data. Traditional data augmentation techniques, which apply artificial transformations (e.g., adding random noise or masking segments), struggle to create data that captures the true diversity present in real-world audios. To address this shortcoming, we propose to augment the dataset with synthetic audio generated from text-to-audio (T2A) diffusion models. However, synthesizing effective augmentations is challenging because not only should the generated data be acoustically consistent with the underlying small-scale dataset, but they should also have sufficient compositional diversity. To overcome the first challenge, we align the generations of the T2A model with the small-scale dataset using preference optimization. This ensures that the acoustic characteristics of the generated data remain consistent with the small-scale dataset. To address the second challenge, we propose a novel caption generation technique that leverages the reasoning capabilities of Large Language Models to (1) generate diverse and meaningful audio captions and (2) iteratively refine their quality. The generated captions are then used to prompt the aligned T2A model. We extensively evaluate Synthio on ten datasets and four simulated limited-data settings. Results indicate our method consistently outperforms all baselines by 0.1%-39% using a T2A model trained only on weakly-captioned AudioSet.

Traditional parameter-space posterior inference for Bayesian neural networks faces several challenges, such as the difficulty in specifying meaningful prior, the potential pathologies in deep models and the intractability for multi-modal posterior. To address these issues, functional variational inference (fVI) and functional Markov Chain Monte Carlo (fMCMC) are two recently emerged Bayesian inference schemes that perform posterior inference directly in function space by incorporating more informative functional priors. Similar to their parameter-space counterparts, fVI and fMCMC have their own strengths and weaknesses. For instance, fVI is computationally efficient but imposes strong distributional assumptions, while fMCMC is asymptotically exact but suffers from slow mixing in high dimensions. To inherit the complementary benefits of both schemes, this work proposes a novel hybrid inference method for functional posterior inference. Specifically, it combines fVI and fMCMC successively by an elaborate linking mechanism to form an alternating approximation process. We also provide theoretical justification for the soundness of such a hybrid inference through the lens of Wasserstein gradient flows in the function space. We evaluate our method on several benchmark tasks and observe improvements in both predictive accuracy and uncertainty quantification compared to parameter/function-space VI and MCMC.

General intelligence requires quick adaptation across tasks. While existing reinforcement learning (RL) methods have made progress in generalization, they typically assume only distribution changes between source and target domains. In this paper, we explore a wider range of scenarios where not only the distribution but also the environment spaces may change. For example, in the CoinRun environment, we train agents from easy levels and generalize them to difficulty levels where there could be new enemies that have never occurred before. To address this challenging setting, we introduce a causality-guided self-adaptive representation-based approach, called CSR, that equips the agent to generalize effectively across tasks with evolving dynamics. Specifically, we employ causal representation learning to characterize the latent causal variables within the RL system. Such compact causal representations uncover the structural relationships among variables, enabling the agent to autonomously determine whether changes in the environment stem from distribution shifts or variations in space, and to precisely locate these changes. We then devise a three-step strategy to fine-tune the causal model under different scenarios accordingly. Empirical experiments show that CSR efficiently adapts to the target domains with only a few samples and outperforms state-of-the-art baselines on a wide range of scenarios, including our simulated environments, CartPole, CoinRun and Atari games.

Data selection is of great significance in pretraining large language models, given the variation in quality within the large-scale available training corpora. To achieve this, researchers are currently investigating the use of data influence to measure the importance of data instances, $i.e.,$ a high influence score indicates that incorporating this instance to the training set is likely to enhance the model performance. Consequently, they select the top-$k$ instances with the highest scores. However, this approach has several limitations. (1) Calculating the accurate influence of all available data is time-consuming. (2) The selected data instances are not diverse enough, which may hinder the pretrained model's ability to generalize effectively to various downstream tasks. In this paper, we introduce $\texttt{Quad}$, a data selection approach that considers both quality and diversity by using data influence to achieve state-of-the-art pretraining results. To compute the influence ($i.e.,$ the quality) more accurately and efficiently, we incorporate the attention layers to capture more semantic details, which can be accelerated through the Kronecker product. For the diversity, $\texttt{Quad}$ clusters the dataset into similar data instances within each cluster and diverse instances across different clusters. For each cluster, if we opt to select data from it, we take some samples to evaluate the influence to prevent processing all instances. Overall, we favor clusters with highly influential instances (ensuring high quality) or clusters that have been selected less frequently (ensuring diversity), thereby well balancing between quality and diversity. Experiments on Slimpajama and FineWeb over 7B large language models demonstrate that $\texttt{Quad}$ significantly outperforms other data selection methods with a low FLOPs consumption. Further analysis also validates the effectiveness of our influence calculation.

Efficiently modeling sequences with infinite context length has long been a challenging problem. Previous approaches have either suffered from quadratic computational complexity or limited extrapolation ability in length generalization. In this work, we present Samba, a simple hybrid architecture that layer-wise combines Mamba, a selective State Space Model (SSM), with Sliding Window Attention (SWA). Samba selectively compresses a given sequence into recurrent hidden states while still maintaining the ability to precisely recall recent memories with the attention mechanism. We scale Samba up to 3.8B parameters with 3.2T training tokens and demonstrate that it significantly outperforms state-of-the-art models across a variety of benchmarks. Pretrained on sequences of 4K length, Samba shows improved perplexity in context lengths of up to 1M in zero-shot. When finetuned on 4K-length sequences, Samba efficiently extrapolates to a 256K context length with perfect memory recall on the Passkey Retrieval task, and exhibits superior retrieval extrapolation on the challenging Phonebook task compared to full-attention models. As a linear-time sequence model, Samba achieves a 3.73× higher throughput compared to Transformers with grouped-query attention for user prompts of 128K length, and a 3.64× speedup when generating 64K tokens with unlimited streaming.

We propose the generalized Newton's method (GeN) --- a Hessian-informed approach that applies to any optimizer such as SGD and Adam, and covers the Newton-Raphson method as a sub-case. Our method automatically and dynamically selects the learning rate that accelerates the convergence, without the intensive tuning of the learning rate scheduler. In practice, our method is easily implementable, since it only requires additional forward passes with almost zero computational overhead (in terms of training time and memory cost), if the overhead is amortized over many iterations. We present extensive experiments on language and vision tasks (e.g. GPT and ResNet) to showcase that GeN optimizers match the state-of-the-art performance, which was achieved with carefully tuned learning rate schedulers.

We introduce a novel masked pre-training technique for graph neural networks (GNNs) applied to computational fluid dynamics (CFD) problems. By randomly masking up to 40\% of input mesh nodes during pre-training, we force the model to learn robust representations of complex fluid dynamics. We pair this masking strategy with an asymmetric encoder-decoder architecture and gated multi-layer perceptrons to further enhance performance. The proposed method achieves state-of-the-art results on seven CFD datasets, including a new challenging dataset of 3D intracranial aneurysm simulations with over 250,000 nodes per mesh. Moreover, it significantly improves model performance and training efficiency across such diverse range of fluid simulation tasks. We demonstrate improvements of up to 60\% in long-term prediction accuracy compared to previous best models, while maintaining similar computational costs. Notably, our approach enables effective pre-training on multiple datasets simultaneously, significantly reducing the time and data required to achieve high performance on new tasks. Through extensive ablation studies, we provide insights into the optimal masking ratio, architectural choices, and training strategies.

Fine-tuning large language models (LLMs) is necessary for specific downstream tasks, but classic first-order optimizer entails prohibitive GPU memory because of the back propagation. Recent works such as MeZO have turned to zeroth-order optimizers for fine-tuning, which reduce substantial memory by using two forward passes. However, heterogeneous curvatures across different parameter dimensions in LLMs often cause model convergence instability or even failure. In this work, we propose HiZOO, a diagonal Hessian informed Zeroth-Order Optimizer , which is the first work to leverage the diagonal Hessian to enhance ZOO for fine-tuning LLMs. We provide theoretical proof for HiZOO and visualize the optimization trajectories on test functions to illustrate how it improves convergence in handling heterogeneous curvatures. Extensive experiments on various models (RoBERTa, OPT, Phi-2 and LLama3, with 350M$\sim$66B parameters) indicate that HiZOO significantly reduces training steps and enhances model accuracy, while keeping the memory advantage of ZOO. For example, on SST2 task HiZOO achieves $8\times$ speedup and better accuracy over MeZO across different models. We also propose HiZOO-L, which reduces the Hessian memory cost to 10\% of the MeZO, while maintaining almost same performance. Compared with ZO-Adam, HiZOO-L achieves a 4.3\% improvement, just using 50\% of the GPU memory. Code is available at https://anonymous.4open.science/r/HiZOO-27F8.

In safe offline reinforcement learning, the objective is to develop a policy that maximizes cumulative rewards while strictly adhering to safety constraints, utilizing only offline data. Traditional methods often face difficulties in balancing these constraints, leading to either diminished performance or increased safety risks. We address these issues with a novel approach that begins by learning a conservatively safe policy through the use of Conditional Variational Autoencoders, which model the latent safety constraints. Subsequently, we frame this as a Constrained Reward-Return Maximization problem, wherein the policy aims to optimize rewards while complying with the inferred latent safety constraints. This is achieved by training an encoder with a reward-Advantage Weighted Regression objective within the latent constraint space. Our methodology is supported by theoretical analysis, including bounds on policy performance and sample complexity. Extensive empirical evaluation on benchmark datasets, including challenging autonomous driving scenarios, demonstrates that our approach not only maintains safety compliance but also excels in cumulative reward optimization, surpassing existing methods. Additional visualizations provide further insights into the effectiveness and underlying mechanisms of our approach.

Existing video captioning benchmarks and models lack causal-temporal narrative, which is sequences of events linked through cause and effect, unfolding over time and driven by characters or agents. This lack of narrative restricts models’ ability to generate text descriptions that capture the causal and temporal dynamics inherent in video content. To address this gap, we propose NarrativeBridge, an approach comprising of: (1) a novel Causal-Temporal Narrative (CTN) captions benchmark generated using a large language model and few-shot prompting, explicitly encoding cause-effect temporal relationships in video descriptions; and (2) a Cause-Effect Network (CEN) with separate encoders for capturing cause and effect dynamics, enabling effective learning and generation of captions with causal-temporal narrative. Extensive experiments demonstrate that CEN significantly outperforms state-of-the-art models in articulating the causal and temporal aspects of video content: 17.88 and 17.44 CIDEr on the MSVD-CTN and MSRVTT-CTN datasets, respectively. Cross-dataset evaluations further showcase CEN’s strong generalization capabilities. The proposed framework understands and generates nuanced text descriptions with intricate causal-temporal narrative structures present in videos, addressing a critical limitation in video captioning. For project details, visit https://narrativebridge.github.io/.

Large-scale diffusion models have made significant advances in image generation, particularly through cross-attention mechanisms. While cross-attention has been well-studied in text-to-image tasks, their interpretability in image-to-image (I2I) diffusion models remains underexplored. This paper introduces Image-to-Image Attribution Maps $(\textbf{I}^2\textbf{AM})$, a method that enhances the interpretability of I2I models by visualizing bidirectional attribution maps, from the reference image to the generated image and vice versa. $\text{I}^2\text{AM}$ aggregates cross-attention scores across time steps, attention heads, and layers, offering insights into how critical features are transferred between images. We demonstrate the effectiveness of $\text{I}^2\text{AM}$ across object detection, inpainting, and super-resolution tasks. Our results demonstrate that $\text{I}^2\text{AM}$ successfully identifies key regions responsible for generating the output, even in complex scenes. Additionally, we introduce the Inpainting Mask Attention Consistency Score (IMACS) as a novel evaluation metric to assess the alignment between attribution maps and inpainting masks, which correlates strongly with existing performance metrics. Through extensive experiments, we show that $\text{I}^2\text{AM}$ enables model debugging and refinement, providing practical tools for improving I2I model's performance and interpretability.

Quantum-centric supercomputing presents a compelling framework for large-scale hybrid quantum-classical tasks. Although quantum machine learning (QML) offers theoretical benefits in various applications, challenges such as large-size data encoding in the input stage and the reliance on quantum resources in the inference stage limit its practicality for tasks like fine-tuning large language models (LLMs). Quantum parameter generation, a novel approach of QML, addresses these limitations by using quantum neural networks (QNNs) to generate classical model weights (parameters) exclusively during training, thereby decoupling inference from quantum hardware. In this work, we introduce Quantum Parameter Adaptation (QPA) in the framework of quantum parameter generation, which integrates QNNs with a classical multi-layer perceptron mapping model to generate parameters for fine-tuning methods. Using Gemma-2 and GPT-2 as case studies, QPA demonstrates significant parameter reduction for parameter-efficient fine-tuning methods, such as Low-Rank Adaptation (LoRA), while maintaining comparable or improved performance in text generation tasks. Specifically, QPA reduces the number of parameters to $52.06\%$ of the original LoRA for GPT-2 with a slight performance gain of $0.75\%$, and to $16.84\%$ for Gemma-2, with a marginal performance improvement of $0.07\%$. These results highlight QPA’s ability to achieve efficient parameter reduction without sacrificing performance in the quantum parameter generation framework. This work showcases the potential of quantum-enhanced parameter reduction, offering a scalable quantum-classical solution for fine-tuning LLMs while preserving the feasibility of inference on classical hardware.

Training with larger mini-batches improves the convergence rate and can yield superior performance. However, training with large mini-batches becomes prohibitive for Large Language Models (LLMs), due to the large GPU memory requirement. To address this problem, an effective approach is finding small mini-batch coresets that closely match the gradient of larger mini-batches. However, this approach becomes infeasible and ineffective for LLMs, due to the highly imbalanced mixture of sources in language data, use of the Adam optimizer, and the very large gradient dimensionality of LLMs. In this work, we address the above challenges by proposing *Coresets for Training LLMs* (CoLM). First, we show that mini-batch coresets found by gradient matching do not contain representative examples of the small sources w.h.p., and thus including all examples of the small sources in the mini-batch coresets is crucial for optimal performance. Second, we normalize the gradients by their historical exponential to find mini-batch coresets for training with Adam. Finally, we leverage zeroth-order methods to find smooth gradient of the last *V*-projection matrix and sparsify it to keep the dimensions with the largest normalized gradient magnitude. We apply CoLM to fine-tuning Phi-2, Phi-3, Zephyr, and Llama-3 models with LoRA on MathInstruct and SuperGLUE benchmark. Remarkably, CoLM reduces the memory requirement of fine-tuning by 2x and even outperforms training with 4x larger mini-batches. Moreover, CoLM seamlessly integrates with existing memory-efficient training methods like LoRA, further reducing the memory requirements of training LLMs.

All data modalities are not created equal, even when the signal they measure comes from the same source. In the case of the brain, two of the most important data modalities are the scalp electroencephalogram (EEG), and the intracranial electroencephalogram (iEEG). iEEG benefits from a higher signal-to-noise ratio (SNR), as it measures the electrical activity directly in the brain, while EEG is noisier and has lower spatial and temporal resolutions. Nonetheless, both EEG and iEEG are important sources of data for human neurology, from healthcare to brain–machine interfaces. They are used by human experts, supported by deep learning (DL) models, to accomplish a variety of tasks, such as seizure detection and motor imagery classification. Although the differences between EEG and iEEG are well understood by human experts, the performance of DL models across these two modalities remains under-explored. To help characterize the importance of clean data on the performance of DL models, we propose BrainCodec, a high-fidelity EEG and iEEG neural compressor. We find that training BrainCodec on iEEG and then transferring to EEG yields higher reconstruction quality than training on EEG directly. In addition, we also find that training BrainCodec on both EEG and iEEG improves fidelity when reconstructing EEG. Our work indicates that data sources with higher SNR, such as iEEG, provide better performance across the board also in the medical time-series domain. This finding is consistent with reports coming from natural language processing, where clean data sources appear to have an outsized effect on the performance of the DL model overall. BrainCodec also achieves up to a 64x compression on iEEG and EEG without a notable decrease in quality. BrainCodec markedly surpasses current state-of-the-art compression models both in final compression ratio and in reconstruction fidelity. We also evaluate the fidelity of the compressed signals objectively on a seizure detection and a motor imagery task performed by standard DL models. Here, we find that BrainCodec achieves a reconstruction fidelity high enough to ensure no performance degradation on the downstream tasks. Finally, we collect the subjective assessment of an expert neurologist, that confirms the high reconstruction quality of BrainCodec in a realistic scenario. The code is available at https://github.com/IBM/eeg-ieeg-brain-compressor.

Human sensing, which employs various sensors and advanced deep learning technologies to accurately capture and interpret human body information, has significantly impacted fields like public security and robotics. However, current human sensing primarily depends on modalities such as cameras and LiDAR, each of which has its own strengths and limitations. Furthermore, existing multimodal fusion solutions are typically designed for fixed modality combinations, requiring extensive retraining when modalities are added or removed for diverse scenarios. In this paper, we propose a modality-invariant foundation model for all modalities, X-Fi, to address these issues. X-Fi enables the independent or combinatory use of sensor modalities without additional training by utilizing a transformer structure to accommodate variable input sizes and incorporating a novel "X-fusion" mechanism to preserve modality-specific features during multimodal integration. This approach not only enhances adaptability but also facilitates the learning of complementary features across modalities. Extensive experiments conducted on the MM-Fi and XRF55 datasets, employing six distinct modalities, demonstrate that X-Fi achieves state-of-the-art performance in human pose estimation (HPE) and human activity recognition (HAR) tasks. The findings indicate that our proposed model can efficiently support a wide range of human sensing applications, ultimately contributing to the evolution of scalable, multimodal sensing technologies.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to *any* diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

We study causal interactions for payoff allocation in cooperative game theory, including quantifying feature attribution for deep learning models. Most feature attribution methods mainly stem from the criteria of the Shapley value, which assigns fair payoffs to players based on their expected contribution in a cooperative game. However, interactions between players in the game do not explicitly appear in the original formulation of the Shapley value. In this work, we reformulate the Shapley value to clarify the role of interactions and discuss implicit assumptions from a game-theoretical perspective. Our theoretical analysis demonstrates that when negative interactions exist—common in deep learning models—the efficiency axiom can lead to the undervaluation of attributions or payoffs. We suggest a new allocation rule that decomposes contributions into interactions and aggregates positive parts for non-convex games. Furthermore, we propose an approximation algorithm to reduce the cost of interaction computation which can be applied to differentiable functions such as deep learning models. Our approach mitigates counterintuitive attribution outcomes observed in existing methods, ensuring that features critical to a model’s decision receive appropriate attribution.

Multi-modal Large Language Models (MLLMs) frequently face challenges from concept drift when dealing with real-world streaming data, wherein distributions change unpredictably. This mainly includes gradual drift due to long-tailed data and sudden drift from Out-Of-Distribution (OOD) data, both of which have increasingly drawn the attention of the research community. While these issues have been extensively studied in the individual domain of vision or language, their impacts on MLLMs in concept drift settings remain largely underexplored. In this paper, we reveal the susceptibility and vulnerability of Vision-Language (VL) models to significant biases arising from gradual drift and sudden drift, particularly in the pre-training. To effectively address these challenges, we propose a unified framework that extends concept drift theory to the multi-modal domain, enhancing the adaptability of the VL model to unpredictable distribution changes. Additionally, a T-distribution based drift adapter is proposed to effectively mitigate the bias induced by the gradual drift, which also facilitates the model in distinguishing sudden distribution changes through explicit distribution modeling. Extensive experiments demonstrate our method enhances the efficiency and accuracy of image-text alignment in the pre-training of VL models, particularly in the concept drift scenario. Moreover, various downstream tasks exhibit significant improvements in our model's ability to adapt to the long-tailed open world. Furthermore, we create a set of multi-modal datasets called OpenMMlo, specifically tailored for the long-tailed open-world setting, to validate our findings. To foster the development of the multi-modal community, we have made both OpenMMlo datasets and our code publicly available at: https://github.com/XiaoyuYoung/ConceptDriftMLLMs.

Multimodal AI has the potential to significantly enhance document-understanding tasks, such as processing receipts, understanding workflows, extracting data from documents, and summarizing reports. Code generation tasks that require long-structured outputs can also be enhanced by multimodality. Despite this, their use in commercial applications is often limited due to limited access to relevant training data and restrictive licensing, which hinders open access. To address these limitations, we introduce BigDocs-7.5M, a high-quality, open-access dataset comprising 7.5 million multimodal documents across 30 tasks. We use an efficient data curation process to ensure that our data is high quality and license-permissive. Our process emphasizes accountability, responsibility, and transparency through filtering rules, traceable metadata, and careful content analysis. Additionally, we introduce BigDocs-Bench,, a benchmark suite with 10 novel tasks where we carefully create datasets that reflect real-world use cases involving reasoning over Graphical User Interfaces (GUI) and code generation from images. Our experiments show that training with BigDocs-Bench, improves average performance up to 25.8% over closed-source GPT-4o in document reasoning and structured output tasks such as Screenshot2HTML or Image2Latex generation. Finally, human evaluations revealed that participants preferred the outputs from models trained with BigDocs over those from GPT-4o. This suggests that BigDocs can help both academics and the open-source community utilize and improve AI tools to enhance multimodal capabilities and document reasoning.