ICLR 2025 Papers

While retrieval-augmented generation (RAG) has been shown to enhance factuality of large language model (LLM) outputs, LLMs still suffer from hallucination, generating incorrect or irrelevant information. A common detection strategy involves prompting the LLM again to assess whether its response is grounded in the retrieved evidence, but this approach is costly. Alternatively, lightweight natural language inference (NLI) models for efficient grounding verification can be used at inference time. While existing pre-trained NLI models offer potential solutions, their performance remains subpar compared to larger models on realistic RAG inputs. RAG inputs are more complex than most datasets used for training NLI models and have characteristics specific to the underlying knowledge base, requiring adaptation of the NLI models to a specific target domain. Additionally, the lack of labeled instances in the target domain makes supervised domain adaptation, e.g., through fine-tuning, infeasible. To address these challenges, we introduce Automatic Generative Domain Adaptation (Auto-GDA). Our framework enables unsupervised domain adaptation through synthetic data generation. Unlike previous methods that rely on handcrafted filtering and augmentation strategies, Auto-GDA employs an iterative process to continuously improve the quality of generated samples using weak labels from less efficient teacher models and discrete optimization to select the most promising augmented samples. Experimental results demonstrate the effectiveness of our approach, with models fine-tuned on synthetic data using Auto-GDA often surpassing the performance of the teacher model and reaching the performance level of LLMs at 10% of their computational cost.

Momentum-based optimizers are widely adopted for training neural networks. However, the optimal selection of momentum coefficients remains elusive. This uncertainty impedes a clear understanding of the role of momentum in stochastic gradient methods. In this paper, we present a frequency domain analysis framework that interprets the momentum method as a time-variant filter for gradients, where adjustments to momentum coefficients modify the filter characteristics. Our experiments support this perspective and provide a deeper understanding of the mechanism involved. Moreover, our analysis reveals the following significant findings: high-frequency gradient components are undesired in the late stages of training; preserving the original gradient in the early stages, and gradually amplifying low-frequency gradient components during training both enhance performance. Based on these insights, we propose Frequency Stochastic Gradient Descent with Momentum (FSGDM), a heuristic optimizer that dynamically adjusts the momentum filtering characteristic with an empirically effective dynamic magnitude response. Experimental results demonstrate the superiority of FSGDM over conventional momentum optimizers.

Graph Domain Adaptation (GDA) addresses a pressing challenge in cross-network learning, particularly pertinent due to the absence of labeled data in real-world graph datasets. Recent studies attempted to learn domain invariant representations by eliminating structural shifts between graphs. In this work, we show that existing methodologies have overlooked the significance of the graph node attribute, a pivotal factor for graph domain alignment. Specifically, we first reveal the impact of node attributes for GDA by theoretically proving that in addition to the graph structural divergence between the domains, the node attribute discrepancy also plays a critical role in GDA. Moreover, we also empirically show that the attribute shift is more substantial than the topology shift, which further underscore the importance of node attribute alignment in GDA. Inspired by this finding, a novel cross-channel module is developed to fuse and align both views between the source and target graphs for GDA. Experimental results on a variety of benchmark verify the effectiveness of our method.

Parameter-efficient fine-tuning has demonstrated promising results across various visual adaptation tasks, such as classification and segmentation. Typically, prompt tuning techniques have harnessed knowledge from a single pre-trained model, whether from a general or a specialized medical domain. However, this approach typically overlooks the potential synergies that could arise from integrating diverse domain knowledge within the same tuning process. In this work, we propose a novel Mixture-of-Experts prompt tuning method called pMoE, which leverages the strengths of multiple expert domains through expert-specialized prompt tokens and the learnable dispatcher, effectively combining their expertise in a unified model framework. Our pMoE introduces expert-specific prompt tokens and utilizes a dynamic token dispatching mechanism at various prompt layers to optimize the contribution of each domain expert during the adaptation phase. By incorporating both domain knowledge from diverse experts, the proposed pMoE significantly enhances the model's versatility and applicability to a broad spectrum of tasks. We conduct extensive experiments across 47 adaptation tasks, including both classification and segmentation in general and medical domains. The results demonstrate that our pMoE not only achieves superior performance with a large margin of improvements but also offers an optimal trade-off between computational efficiency and adaptation effectiveness compared to existing methods.

In response to the increasing demand for tackling out-of-domain (OOD) scenarios, test-time adaptation (TTA) has garnered significant research attention in recent years. To adapt a source pre-trained model to target samples without getting access to their labels, existing approaches have typically employed entropy minimization (EM) loss as a primary objective function. In this paper, we propose an adaptive energy alignment (AEA) solution that achieves fast online TTA. We start from the re-interpretation of the EM loss by decomposing it into two energy-based terms with conflicting roles, showing that the EM loss can potentially hinder the assertive model adaptation. Our AEA addresses this challenge by strategically reducing the energy gap between the source and target domains during TTA, aiming to effectively align the target domain with the source domains and thus to accelerate adaptation. We specifically propose two novel strategies, each contributing a necessary component for TTA: (i) aligning the energy level of each target sample with the energy zone of the source domain that the pre-trained model is already familiar with, and (ii) precisely guiding the direction of the energy alignment by matching the class-wise correlations between the source and target domains. Our approach demonstrates its effectiveness on various domain shift datasets including CIFAR10-C, CIFAR100-C, and TinyImageNet-C.

Test-Time Adaptation (TTA) aims to tackle distribution shifts using unlabeled test data without access to the source data. In the context of multimodal data, there are more complex noise patterns than unimodal data such as simultaneous corruptions for multiple modalities and missing modalities. Besides, in real-world applications, corruptions from different distribution shifts are always mixed. Existing TTA methods always fail in such multimodal scenario because the abrupt distribution shifts will destroy the prior knowledge from the source model, thus leading to performance degradation. To this end, we reveal a new challenge named *multimodal wild TTA*. To address this challenging problem, we propose two novel strategies: sample identification with interquartile range **S**moothing and **u**nimodal assistance, and **M**utual **i**nformation sharing (SuMi). SuMi smooths the adaptation process by interquartile range which avoids the abrupt distribution shifts. Then, SuMi fully utilizes the unimodal features to select low-entropy samples with rich multimodal information for optimization. Furthermore, mutual information sharing is introduced to align the information, reduce the discrepancies and enhance the information utilization across different modalities. Extensive experiments show the effectiveness and superiority over existing methods under the complex noise patterns in multimodal data. Code is available at https://github.com/zrguo/SuMi.

Joint finetuning of a pretrained encoder and a randomly initialized decoder has been the de facto standard in semantic segmentation, but the vulnerability of this approach to domain shift has not been studied. We investigate the vulnerability issue of joint finetuning, and propose a novel finetuning framework called Decoupled FineTuning (DeFT) for domain generalization as a solution. DeFT operates in two stages. Its first stage warms up the decoder with the frozen, pretrained encoder so that the decoder learns task-relevant knowledge while the encoder preserves its generalizable features. In the second stage, it decouples finetuning of the encoder and decoder into two pathways, each of which concatenates an adaptive component (AC) and retentive component (RC); the encoder and decoder play different roles between AC and RC in different pathways. ACs are updated by gradients of the loss on the source domain, while RCs are updated by exponential moving average biased toward their initialization to retain their generalization capability. By the two separate optimization pathways with opposite AC-RC configurations, DeFT reduces the number of learnable parameters virtually, and decreases the distance between learned parameters and their initialization, leading to improved generalization capability. DeFT significantly outperformed existing methods in various domain shift scenarios, and its performance was further boosted by incorporating a simple distance regularization.

Quantifying model generalization to out-of-distribution data has been a longstanding challenge in machine learning. Addressing this issue is crucial for leveraging machine learning in scientific discovery, where models must generalize to new molecules or materials. Current methods typically split data into train and test sets using various criteria — temporal, sequence identity, scaffold, or random cross-validation — before evaluating model performance. However, with so many splitting criteria available, existing approaches offer limited guidance on selecting the most appropriate one, and they do not provide mechanisms for incorporating prior knowledge about the target deployment distribution(s). To tackle this problem, we have developed a novel metric, AU-GOOD, which quantifies expected model performance under conditions of increasing dissimilarity between train and test sets, while also accounting for prior knowledge about the target deployment distribution(s), when available. This metric is broadly applicable to biochemical entities, including proteins, small molecules, nucleic acids, or cells; as long as a relevant similarity function is defined for them. Recognizing the wide range of similarity functions used in biochemistry, we propose criteria to guide the selection of the most appropriate metric for partitioning. We also introduce a new partitioning algorithm that generates more challenging test sets, and we propose statistical methods for comparing models based on AU-GOOD. Finally, we demonstrate the insights that can be gained from this framework by applying it to two different use cases: developing predictors for pharmaceutical properties of small molecules, and using protein language models as embeddings to build biophysical property predictors.

Specialist language models (LMs) focus on a specific task or domain on which they often outperform generalist LMs of the same size. However, the specialist data needed to pretrain these models is only available in limited amount for most tasks. In this work, we build specialist models from large generalist training sets instead. We adjust the training distribution of the generalist data with guidance from the limited domain-specific data. We explore several approaches, with clustered importance sampling standing out. This method clusters the generalist dataset and samples from these clusters based on their frequencies in the smaller specialist dataset. It is scalable, suitable for pretraining and continued pretraining, it works well in multi-task settings. Our findings demonstrate improvements across different domains in terms of language modeling perplexity and accuracy on multiple-choice question tasks. We also present ablation studies that examine the impact of dataset sizes, clustering configurations, and model sizes.

Source-Free Domain Adaptation (SFDA) seeks to adapt a pre-trained source model to the target domain using only unlabeled target data, without access to the original source data. While current state-of-the-art (SOTA) methods rely on leveraging weak supervision from the source model to extract reliable information for self-supervised adaptation, they often overlook the uncertainty that arises during the transfer process. In this paper, we conduct a systematic and theoretical analysis of the uncertainty inherent in existing SFDA methods and demonstrate its impact on transfer performance through the lens of Distributionally Robust Optimization (DRO). Building upon the theoretical results, we propose a novel instance-dependent uncertainty control algorithm for SFDA. Our method is designed to quantify and exploit the uncertainty during the adaptation process, significantly improving the model performance. Extensive experiments on benchmark datasets and empirical analyses confirm the validity of our theoretical findings and the effectiveness of the proposed method. This work offers new insights into understanding and advancing SFDA performance.

We introduce Chunk-Distilled Language Modeling (CD-LM), an approach to text generation that addresses two challenges in current large language models (LLMs): the inefficiency of token-level generation, and the difficulty of adapting to new data and knowledge. Our method combines deep network-based LLMs with a straightforward retrieval module, which allows the generation of multi-token text chunks at a single decoding step. Our retrieval framework enables flexible construction of model- or domain-specific datastores, either leveraging the internal knowledge of existing models, or incorporating expert insights from human-annotated corpora. This adaptability allows for enhanced control over the language model's distribution without necessitating additional training. We present the CD-LM formulation along with performance metrics demonstrating its ability to improve language model performance and efficiency across a diverse set of downstream applications. Code and data will be made publicly available.

Although learning-based image restoration methods have made significant progress, they still struggle with limited generalization to real-world scenarios due to the substantial domain gap caused by training on synthetic data. Existing methods address this issue by improving data synthesis pipelines, estimating degradation kernels, employing deep internal learning, and performing domain adaptation and regularization. Previous domain adaptation methods have sought to bridge the domain gap by learning domain-invariant knowledge in either feature or pixel space. However, these techniques often struggle to extend to low-level vision tasks within a stable and compact framework. In this paper, we show that it is possible to perform domain adaptation via the noise space using diffusion models. In particular, by leveraging the unique property of how auxiliary conditional inputs influence the multi-step denoising process, we derive a meaningful *diffusion loss* that guides the restoration model in progressively aligning both restored synthetic and real-world outputs with a target clean distribution. We refer to this method as *denoising as adaptation*. To prevent shortcuts during joint training, we present crucial strategies such as channel-shuffling layer and residual-swapping contrastive learning in the diffusion model. They implicitly blur the boundaries between conditioned synthetic and real data and prevent the reliance of the model on easily distinguishable features. Experimental results on three classical image restoration tasks, namely denoising, deblurring, and deraining, demonstrate the effectiveness of the proposed method.

Prior parameter-efficient fine-tuning (PEFT) algorithms reduce memory usage and computational costs of fine-tuning large neural network models by training only a few additional adapter parameters, rather than the entire model. However, the reduction in computational costs due to PEFT does not necessarily translate to a reduction in training time; although the computational costs of the adapter layers are much smaller than the pretrained layers, it is well known that those two types of layers are processed sequentially on GPUs, resulting in significant latency overhead. LoRA and its variants avoid this latency overhead by merging the low-rank adapter matrices with the pretrained weights during inference. However, those layers cannot be merged during training since the pretrained weights must remain frozen while the low-rank adapter matrices are updated continuously over the course of training. Furthermore, LoRA and its variants do not reduce activation memory, as the first low-rank adapter matrix still requires the input activations to the pretrained weights to compute weight gradients. To mitigate this issue, we propose **Pa**rtial **C**onnection **A**daptation (**PaCA**), which fine-tunes randomly selected partial connections within the pretrained weights instead of introducing adapter layers in the model. PaCA not only enhances training speed by eliminating the time overhead due to the sequential processing of the adapter and pretrained layers but also reduces activation memory since only partial activations, rather than full activations, need to be stored for gradient computation. Compared to LoRA, PaCA reduces training time by 22% and total memory usage by 16%, while maintaining comparable accuracy across various fine-tuning scenarios, such as fine-tuning on the MMLU dataset and instruction tuning on the Oasst1 dataset. PaCA can also be combined with quantization, enabling the fine-tuning of large models such as LLaMA3.1-70B. In addition, PaCA enables training with 23% longer sequence and improves throughput by 16\% on both NVIDIA A100 GPU and INTEL Gaudi2 HPU compared to LoRA. The code is available at [https://github.com/WooSunghyeon/paca](https://github.com/WooSunghyeon/paca).

We investigate LoRA in federated learning through the lens of the asymmetry analysis of the learned $A$ and $B$ matrices. In doing so, we uncover that $A$ matrices are responsible for learning general knowledge, while $B$ matrices focus on capturing client-specific knowledge. Based on this finding, we introduce Federated Share-A Low-Rank Adaptation (FedSA-LoRA), which employs two low-rank trainable matrices $A$ and $B$ to model the weight update, but only $A$ matrices are shared with the server for aggregation. Moreover, we delve into the relationship between the learned $A$ and $B$ matrices in other LoRA variants, such as rsLoRA and VeRA, revealing a consistent pattern. Consequently, we extend our FedSA-LoRA method to these LoRA variants, resulting in FedSA-rsLoRA and FedSA-VeRA. In this way, we establish a general paradigm for integrating LoRA with FL, offering guidance for future work on subsequent LoRA variants combined with FL. Extensive experimental results on natural language understanding and generation tasks demonstrate the effectiveness of the proposed method. Our code is available at https://github.com/Pengxin-Guo/FedSA-LoRA.

Test-time adaptation (TTA) has demonstrated significant potential in addressing distribution shifts between training and testing data. Open-set test-time adaptation (OSTTA) aims to adapt a source pre-trained model online to an unlabeled target domain that contains unknown classes. This task becomes more challenging when multiple modalities are involved. Existing methods have primarily focused on unimodal OSTTA, often filtering out low-confidence samples without addressing the complexities of multimodal data. In this work, we present Adaptive Entropy-aware Optimization (AEO), a novel framework specifically designed to tackle Multimodal Open-set Test-time Adaptation (MM-OSTTA) for the first time. Our analysis shows that the entropy difference between known and unknown samples in the target domain strongly correlates with MM-OSTTA performance. To leverage this, we propose two key components: Unknown-aware Adaptive Entropy Optimization (UAE) and Adaptive Modality Prediction Discrepancy Optimization (AMP). These components enhance the model’s ability to distinguish unknown class samples during online adaptation by amplifying the entropy difference between known and unknown samples. To thoroughly evaluate our proposed methods in the MM-OSTTA setting, we establish a new benchmark derived from existing datasets. This benchmark includes two downstream tasks – action recognition and 3D semantic segmentation – and incorporates five modalities: video, audio, and optical flow for action recognition, as well as LiDAR and camera for 3D semantic segmentation. Extensive experiments across various domain shift situations demonstrate the efficacy and versatility of the AEO framework. Additionally, we highlight the strong performance of AEO in long-term and continual MM-OSTTA settings, both of which are challenging and highly relevant to real-world applications. This underscores AEO’s robustness and adaptability in dynamic environments. Our source code and benchmarks are available at https://github.com/donghao51/AEO.

Adapting large language models (LLMs) to specialized domains typically requires domain-specific corpora for continual pre-training to facilitate knowledge memorization and related instructions for fine-tuning to apply this knowledge. However, this method may lead to inefficient knowledge memorization due to a lack of awareness of knowledge utilization during the continual pre-training and demands LLMs to simultaneously learn knowledge utilization and format alignment with divergent training objectives during the fine-tuning. To enhance the domain adaptation of LLMs, we revise this process and propose a new domain adaptation framework including domain knowledge learning and general format alignment, called \emph{Mix-CPT}. Specifically, we first conduct a knowledge mixture continual pre-training that concurrently focuses on knowledge memorization and utilization. To avoid catastrophic forgetting, we further propose a logit swap self-distillation constraint. By leveraging the knowledge and capabilities acquired during continual pre-training, we then efficiently perform instruction tuning and alignment with a few general training samples to achieve format alignment. Extensive experiments show that our proposed \emph{Mix-CPT} framework can simultaneously improve the task-solving capabilities of LLMs on the target and general domains.

Scaling inference-time computation is increasingly seen as the next frontier in scaling laws for large language models. Previous work in mathematics and coding has demonstrated the remarkable potential for inference-time scaling. During such scaling, fine-grained supervision through process-based reward models (PRMs) is essential for enhancement. However, exploration of inference-time scaling and PRMs in open-domain problems remains limited, where lacking exact answers and obtaining process supervision prove challenging. In this paper, we explore the construction of PRMs for open-domain tasks, specifically for instruction-following tasks. Utilizing existing outcome-based reward models (ORMs), we develop sentence-level preference trees based on the prefix similarity of parallel sampled candidates from datasets like UltraFeedback. This setup allows us to derive weak supervision for processes via back-propagation from outcome-level rewards. Subsequently, we integrate ORMs and PRMs under the same pairwise ranking objectives, resulting in our newly developed reward models, named OpenPRM. This approach significantly enhances the scalability of process-level supervision in open domains at minimal cost. We assess the performance of OpenPRM across various reward benchmarks, demonstrating its competitive edge over traditional ORMs in open domains and PRMs in specialized domains. Additionally, we investigate the scalability of inference-time computation for open-domain instructions. Our results highlight the limitations of ORMs’ scalability, while OpenPRM shows superior performance in scaled settings. Despite these advances, achieving automatic fine-grained supervision for open-domain inference-time scaling remains a substantial challenge. We hope these findings will spur further development of process supervision reward models in open-domain scenarios.

Current test- or compression-time adaptation image compression (TTA-IC) approaches, which leverage both latent and decoder refinements as a two-step adaptation scheme, have potentially enhanced the rate-distortion (R-D) performance of learned image compression models on cross-domain compression tasks, \textit{e.g.,} from natural to screen content images. However, compared with the emergence of various decoder refinement variants, the latent refinement, as an inseparable ingredient, is barely tailored to cross-domain scenarios. To this end, we are interested in developing an advanced latent refinement method by extending the effective hybrid latent refinement (HLR) method, which is designed for \textit{in-domain} inference improvement but shows noticeable degradation of the rate cost in \textit{cross-domain} tasks. Specifically, we first provide theoretical analyses, in a cue of marginalization approximation from in- to cross-domain scenarios, to uncover that the vanilla HLR suffers from an underlying mismatch between refined Gaussian conditional and hyperprior distributions, leading to deteriorated joint probability approximation of marginal distribution with increased rate consumption. To remedy this issue, we introduce a simple Bayesian approximation-endowed \textit{distribution regularization} to encourage learning a better joint probability approximation in a plug-and-play manner. Extensive experiments on six in- and cross-domain datasets demonstrate that our proposed method not only improves the R-D performance compared with other latent refinement counterparts, but also can be flexibly integrated into existing TTA-IC methods with incremental benefits.

Complex classification scenarios, including long-tailed learning, domain adaptation, and transfer learning, present substantial challenges for traditional algorithms. Conditional class probability (CCP) predictions have recently become critical components of many state-of-the-art algorithms designed to address these challenging scenarios. Among kernel methods, kernel logistic regression (KLR) is distinguished by its effectiveness in predicting CCPs through the minimization of the cross-entropy (CE) loss. Despite the empirical success of CCP-based approaches, the theoretical understanding of their performance, particularly regarding the CE loss, remains limited. In this paper, we bridge this gap by demonstrating that KLR-based algorithms achieve minimax optimal convergence rates for the CE loss under mild assumptions in these complex tasks, thereby establishing their theoretical efficiency in such demanding contexts.