ICLR 2025 论文列表

Diffusion models are powerful generative models but often generate sensitive data that are unwanted by users, mainly because the unlabeled training data frequently contain such sensitive data. Since labeling all sensitive data in the large-scale unlabeled training data is impractical, we address this problem by using a small amount of labeled sensitive data. In this paper, we propose positive-unlabeled diffusion models, which prevent the generation of sensitive data using unlabeled and sensitive data. Our approach can approximate the evidence lower bound (ELBO) for normal (negative) data using only unlabeled and sensitive (positive) data. Therefore, even without labeled normal data, we can maximize the ELBO for normal data and minimize it for labeled sensitive data, ensuring the generation of only normal data. Through experiments across various datasets and settings, we demonstrated that our approach can prevent the generation of sensitive images without compromising image quality.

Publishers who publish their content on the web act strategically, in a behavior that can be modeled within the online learning framework. Regret, a central concept in machine learning, serves as a canonical measure for assessing the performance of learning agents within this framework. We prove that any proportional content ranking function with a concave activation function induces games in which no-regret learning dynamics converge. Moreover, for proportional ranking functions, we prove the equivalence of the concavity of the activation function, the social concavity of the induced games and the concavity of the induced games. We also study the empirical trade-offs between publishers' and users' welfare, under different choices of the activation function, using a state-of-the-art no-regret dynamics algorithm. Furthermore, we demonstrate how the choice of the ranking function and changes in the ecosystem structure affect these welfare measures, as well as the dynamics' convergence rate.

We propose a Competitive Low-Rank Adaptation (ComLoRA) framework to address the limitations of the LoRA method, which either lacks capacity with a single rank-$r$ LoRA or risks inefficiency and overfitting with a larger rank-$Kr$ LoRA, where $K$ is an integer larger than 1. The proposed ComLoRA method initializes $K$ distinct LoRA components, each with rank $r$, and allows them to compete during training. This competition drives each LoRA component to outperform the others, improving overall model performance. The best-performing LoRA is selected based on validation metrics, ensuring that the final model outperforms a single rank-$r$ LoRA and matches the effectiveness of a larger rank-$Kr$ LoRA, all while avoiding extra computational overhead during inference. To the best of our knowledge, this is the first work to introduce and explore competitive learning in the context of LoRA optimization. The ComLoRA's code is available at https://github.com/hqsiswiliam/comlora.

Modeling the nonlinear dynamics of neuronal populations represents a key pursuit in computational neuroscience. Recent research has increasingly focused on jointly modeling neural activity and behavior to unravel their interconnections. Despite significant efforts, these approaches often necessitate either intricate model designs or oversimplified assumptions. Given the frequent absence of perfectly paired neural-behavioral datasets in real-world scenarios when deploying these models, a critical yet understudied research question emerges: how to develop a model that performs well using only neural activity as input at inference, while benefiting from the insights gained from behavioral signals during training? To this end, we propose **BLEND**, the **B**ehavior-guided neura**L** population dynamics mod**E**lling framework via privileged k**N**owledge **D**istillation. By considering behavior as privileged information, we train a teacher model that takes both behavior observations (privileged features) and neural activities (regular features) as inputs. A student model is then distilled using only neural activity. Unlike existing methods, our framework is model-agnostic and avoids making strong assumptions about the relationship between behavior and neural activity. This allows BLEND to enhance existing neural dynamics modeling architectures without developing specialized models from scratch. Extensive experiments across neural population activity modeling and transcriptomic neuron identity prediction tasks demonstrate strong capabilities of BLEND, reporting over 50% improvement in behavioral decoding and over 15% improvement in transcriptomic neuron identity prediction after behavior-guided distillation. Furthermore, we empirically explore various behavior-guided distillation strategies within the BLEND framework and present a comprehensive analysis of effectiveness and implications for model performance. Code will be made available at https://github.com/dddavid4real/BLEND.

Language models have the ability to perform in-context learning (ICL), allowing them to flexibly adapt their behavior based on context. This contrasts with in-weights learning (IWL), where memorized information is encoded in model parameters after iterated observations of data. An ideal model should be able to flexibly deploy both of these abilities. Despite their apparent ability to learn in-context, language models are known to struggle when faced with unseen or rarely seen tokens (Land & Bartolo, 2024). Hence, we study $\textbf{structural in-context learning}$, which we define as the ability of a model to execute in-context learning on arbitrary novel tokens -- so called because the model must generalize on the basis of e.g. sentence structure or task structure, rather than content encoded in token embeddings. We study structural in-context algorithms on both synthetic and naturalistic tasks using toy models, masked language models, and autoregressive language models. We find that structural ICL appears before quickly disappearing early in LM pretraining. While it has been shown that ICL can diminish during training (Singh et al., 2023), we find that prior work does not account for structural ICL. Building on Chen et al. (2024) 's active forgetting method, we introduce pretraining and finetuning methods that can modulate the preference for structural ICL and IWL. Importantly, this allows us to induce a $\textit{dual process strategy}$ where in-context and in-weights solutions coexist within a single model.

We investigate the statistical and computational limits of prompt tuning for transformer-based foundation models. Our key contributions are that prompt tuning on *single-head* transformers with only a *single* self-attention layer: (i) is universal, and (ii) supports efficient (even almost-linear time) algorithms under the Strong Exponential Time Hypothesis (SETH). Statistically, we prove that prompt tuning on such the simplest possible transformers are universal approximators for sequence-to-sequence Lipschitz functions. In addition, we provide an exponential-in-$dL$ and -in-$(1/\epsilon)$ lower bound on the required soft-prompt tokens for prompt tuning to memorize any dataset with 1-layer, 1-head transformers. Computationally, we identify a phase transition in the efficiency of prompt tuning, determined by the norm of the *soft-prompt-induced* keys and queries, and provide an upper bound criterion. Beyond this criterion, no sub-quadratic (efficient) algorithm for prompt tuning exists under SETH. Within this criterion, we showcase our theory by proving the existence of almost-linear time prompt tuning inference algorithms. These fundamental limits provide important necessary conditions for designing expressive and efficient prompt tuning methods for practitioners.

The massive and large-scale design of foundational semiconductor integrated circuits (ICs) is crucial to sustaining the advancement of many emerging and future technologies, such as generative AI, 5G/6G, and quantum computing. Excitingly, recent studies have shown the great capabilities of foundational models in expediting the design of digital ICs. Yet, applying generative AI techniques to accelerate the design of analog ICs remains a significant challenge due to critical domain-specific issues, such as the lack of a comprehensive dataset and effective representation methods for analog circuits. This paper proposes, $\textbf{AnalogGenie}$, a $\underline{\textbf{Gen}}$erat$\underline{\textbf{i}}$ve $\underline{\textbf{e}}$ngine for automatic design/discovery of $\underline{\textbf{Analog}}$ circuit topologies--the most challenging and creative task in the conventional manual design flow of analog ICs. AnalogGenie addresses two key gaps in the field: building a foundational comprehensive dataset of analog circuit topology and developing a scalable sequence-based graph representation universal to analog circuits. Experimental results show the remarkable generation performance of AnalogGenie in broadening the variety of analog ICs, increasing the number of devices within a single design, and discovering unseen circuit topologies far beyond any prior arts. Our work paves the way to transform the longstanding time-consuming manual design flow of analog ICs to an automatic and massive manner powered by generative AI. Our source code is available at https://github.com/xz-group/AnalogGenie.

Content warning: This paper contains examples of harmful language and content. Recent advances in large language models (LLMs) have made them increasingly vulnerable to jailbreaking attempts, where malicious users manipulate models into generating harmful content. While existing approaches rely on either single-step attacks that trigger immediate safety responses or multi-step methods that inefficiently iterate prompts using other LLMs, we introduce ``Sequence of Context" (SoC) attacks that systematically alter conversational context through strategically crafted context-switching queries (CSQs). We formulate this as a multi-armed bandit (MAB) optimization problem, automatically learning optimal sequences of CSQs that gradually weaken the model's safety boundaries. Our theoretical analysis provides tight bounds on both the expected sequence length until successful jailbreak and the convergence of cumulative rewards. Empirically, our method achieves a 95\% attack success rate, surpassing PAIR by 63.15\%, AutoDAN by 60\%, and ReNeLLM by 50\%. We evaluate our attack across multiple open-source LLMs including Llama and Mistral variants. Our findings highlight critical vulnerabilities in current LLM safeguards and emphasize the need for defenses that consider sequential attack patterns rather than relying solely on static prompt filtering or iterative refinement.

Beyond the worst-case analysis of algorithms, the learning-augmented framework considers that an algorithm can leverage possibly imperfect predictions about the unknown variables to have guarantees tied to the prediction quality. We consider online non-clairvoyant scheduling to minimize the max-stretch under this framework, where the scheduler can access job size predictions. We present a family of algorithms: Relaxed-Greedy (RG) with an $O(\eta^3 \cdot \sqrt{P})$ competitive ratio, where $\eta$ denotes the prediction error for job sizes and $P$ the maximum job size ratio; Adaptive Relaxed-Greedy with an $O(\lambda^{0.5} \cdot \eta^{2.5} \cdot \sqrt{P})$ competitive ratio, where $\lambda$ denotes the error for the minimum job size; Predictive Relaxed-Greedy with an $O(\lambda^{0.5} \cdot \varphi^{0.5} \cdot \eta \cdot \max \\\{ \eta, \varphi \\\} \cdot \sqrt{P})$ competitive ratio, where $\varphi$ denotes the error for the maximum job size. We also present *${RG}^x$*, an algorithm that represents a trade-off between consistency and smoothness, with an $O(\eta^{2+2x} \cdot P^{1-x})$ competitive ratio. We introduce a general method using resource augmentation to bound robustness, resulting in *RR*-augmented *RG*, with a $(1 + \epsilon)$-speed $O(\min \\\{ \eta^3 \sqrt{P}, \frac{n}{\epsilon} \\\})$ competitive ratio. Finally, we conduct simulations on synthetic and real-world datasets to evaluate the practical performance of these algorithms.

Over recent years, the Transformer has become a fundamental building block for sequence modeling architectures. Yet at its core is the use of self-attention, whose memory and computational cost grow quadratically with the sequence length $N$, rendering it prohibitively expensive for long sequences. A promising approach is top-$k$ attention, which selects only the $k$ most relevant tokens and achieves performance comparable to vanilla self-attention while significantly reducing space and computational demands. However, causal masks require the current query token to only attend to past tokens, preventing existing top-$k$ attention methods from efficiently searching for the most relevant tokens in parallel, thereby limiting training efficiency. In this work, we propose ZETA, leveraging Z-Order Curves for Efficient Top-k Attention, to enable parallel querying of past tokens for entire sequences. We first theoretically show that the choice of key and query dimensions involves a trade-off between the curse of dimensionality and the preservation of relative distances after projection. In light of this insight, we propose reducing the dimensionality of keys and queries in contrast to values and further leveraging Z-order curves to map low-dimensional keys and queries into one-dimensional space, which permits parallel sorting, thereby largely improving the efficiency for top-$k$ token selection. Experimental results demonstrate that ZETA~matches the performance of standard attention on synthetic tasks Associative Recall and outperforms attention and its variants on Long-Range Arena and WikiText-103 language modeling.

*Visual reprogramming* (VR) reuses pre-trained vision models for downstream image classification tasks by adding trainable noise patterns to inputs. When applied to vision-language models (e.g., CLIP), existing VR approaches follow the same pipeline used in vision models (e.g., ResNet, ViT), where ground-truth class labels are inserted into fixed text templates to guide the optimization of VR patterns. This label-based approach, however, overlooks the rich information and diverse attribute-guided textual representations that CLIP can exploit, which may lead to the misclassification of samples. In this paper, we propose ***Attr**ibute-based **V**isual **R**eprogramming* (AttrVR) for CLIP, utilizing ***des**criptive **attr**ibutes* (DesAttrs) and ***dist**inctive **attr**ibutes* (DistAttrs), which respectively represent common and unique feature descriptions for different classes. Besides, as images of the same class may reflect different attributes after VR, AttrVR iteratively refines patterns using the $k$-nearest DesAttrs and DistAttrs for each image sample, enabling more dynamic and sample-specific optimization. Theoretically, AttrVR is shown to reduce intra-class variance and increase inter-class separation. Empirically, it achieves superior performance in 12 downstream tasks for both ViT-based and ResNet-based CLIP. The success of AttrVR facilitates more effective integration of VR from unimodal vision models into vision-language models. Our code is available at https://github.com/tmlr-group/AttrVR.

We consider online scheduling with class constraints. That is, we are given $m$ machines, each with $k$ class slots. Upon receiving a job $j$ with class $c_j$, an algorithm needs to allocate $j$ on some machine $i$. The goal is to minimize the makespan while not assigning more than $k$ different classes onto each machine. While the offline case is well understood and even (E)PTAS results are known [Jansen, Lassota, Maack SPAA'20, Chen Jansen Luo Zhang COCOA'16], the online case admits strong impossibility results in classical competitive analysis [Epstein, Lassota, Levin, Maack, Rohwedder STACS'22]. We overcome these daunting results by investigating the problem in a learning-augmented setting where an algorithm can access possibly erroneous predictions. We present new algorithms with competitive ratios independent of $m$ and tight lower bounds for several classical and problem-specific prediction models. We thereby give a structured overview of what additional information helps in the design of better scheduling algorithms.

Transfer learning is a cornerstone of modern deep learning, yet it remains constrained by challenges in model selection and the overhead of extensive model storage. In this work, we present Diffusion-based Neural Network Weights Generation, D2NWG, a novel framework that leverages diffusion processes to synthesize task-specific network weights. By modeling the distribution of weights from a diverse ensemble of pretrained models and conditioning the generation process on dataset characteristics, task descriptions, and architectural specifications, D2NWG circumvents the need for storing and searching through massive model repositories. We evaluate D2NWG across multiple experimental settings. On in-distribution tasks, our framework achieves performance that is on par with or superior to conventional pretrained models, while also serving as an effective initialization strategy for novel domains, resulting in faster convergence and a 6\% improvement in few-shot learning scenarios. Extensive ablation studies further indicate that our approach scales robustly with increased diversity and volume of pretrained models. Moreover, D2NWG demonstrates significant promise for large language model applications. In evaluations on the OpenLM leaderboard, our method improved LLaMA-3-2-1B-Instruct performance by 3\% on challenging mathematical reasoning tasks, with a consistent gain of 0.36\% across a range of benchmarks. These findings establish D2NWG as a versatile and powerful framework for neural network weight generation, offering a scalable solution to the limitations of traditional transfer learning.

Text-to-video (T2V) generation has recently garnered significant attention thanks to the large multi-modality model Sora. However, T2V generation still faces two important challenges: 1) Lacking a precise open sourced high-quality dataset. The previously popular video datasets, e.g.WebVid-10M and Panda-70M, overly emphasized large scale, resulting in the inclusion of many low-quality videos and short, imprecise captions. Therefore, it is challenging but crucial to collect a precise high-quality dataset while maintaining a scale of millions for T2V generation. 2) Ignoring to fully utilize textual information. Recent T2V methods have focused on vision transformers, using a simple cross attention module for video generation, which falls short of making full use of semantic information from text tokens. To address these issues, we introduce OpenVid-1M, a precise high-quality dataset with expressive captions. This open-scenario dataset contains over 1 million text-video pairs, facilitating research on T2V generation. Furthermore, we curate 433K 1080p videos from OpenVid-1M to create OpenVidHD-0.4M, advancing high-definition video generation. Additionally, we propose a novel Multi-modal Video Diffusion Transformer (MVDiT) capable of mining both structure information from visual tokens and semantic information from text tokens. Extensive experiments and ablation studies verify the superiority of OpenVid-1M over previous datasets and the effectiveness of our MVDiT.

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models.

Low-Rank Adaptation (LoRA) has emerged as a popular technique for fine-tuning large language models (LLMs) to various domains due to its modular design and widespread availability on platforms like Huggingface. This modularity has sparked interest in combining multiple LoRAs to significantly enhance LLM capabilities. However, existing methods for LoRA composition primarily focus on task-specific adaptations that require additional training, and current model merging techniques often fail to fully leverage LoRA's modular nature, leading to parameter interference and performance degradation. In this paper, we explore the possibility of disassembling and reassembling multiple LoRAs at a finer granularity, much like assembling LEGO blocks. We introduce the concept of Minimal Semantic Units (MSUs), where the parameters corresponding to each rank in LoRA function as independent units. These MSUs exhibit properties such as permutation invariance and concatenation-summation equivalence, allowing for flexible combinations to form new LoRAs. Building on these insights, we propose the LoRA-LEGO framework. This framework conducts rank-wise parameter clustering by grouping MSUs from different LoRAs into $k$ clusters. The centroid of each cluster serves as a representative MSU, enabling the assembly of a merged LoRA with an adjusted rank of $k$. Additionally, we apply a dual reweighting strategy to optimize the scale of the merged LoRA. Experiments across various benchmarks demonstrate that our method outperforms existing approaches in LoRA merging.

A distribution shift between the training and test data can severely harm performance of machine learning models. Importance weighting addresses this issue by assigning different weights to data points during training. We argue that existing heuristics for determining the weights are suboptimal, as they neglect the increase of the variance of the estimated model due to the limited sample size of the training data. We interpret the optimal weights in terms of a bias-variance trade-off, and propose a bi-level optimization procedure in which the weights and model parameters are optimized simultaneously. We apply this framework to existing importance weighting techniques for last-layer retraining of deep neural networks in the presence of sub-population shifts and show empirically that optimizing weights significantly improves generalization performance.

This paper aims to address the challenge of hallucinations in Multimodal Large Language Models (MLLMs) particularly for dense image captioning tasks. To tackle the challenge, we identify the current lack of a metric that finely measures the caption quality in concept level. We hereby introduce HalFscore, a novel metric built upon the language graph and is designed to evaluate both the accuracy and completeness of dense captions at a granular level. Additionally, we identify the root cause of hallucination as the model's over-reliance on its language prior. To address this, we propose PerturboLLaVA, which reduces the model's reliance on the language prior by incorporating adversarially perturbed text during training. This method enhances the model's focus on visual inputs, effectively reducing hallucinations and producing accurate, image-grounded descriptions without incurring additional computational overhead. PerturboLLaVA significantly improves the fidelity of generated captions, outperforming existing approaches in handling multimodal hallucinations and achieving improved performance across general multimodal benchmarks.

Temporal difference (TD) learning represents a fascinating paradox: It is the prime example of a divergent algorithm that has not vanished after its instability was proven. On the contrary, TD continues to thrive in reinforcement learning (RL), suggesting that it provides significant compensatory benefits. Empirical evidence supports this, as many RL tasks require substantial computational resources, and TD delivers a crucial speed advantage that makes these tasks solvable. However, it is limited to cases where the divergence issues are absent or negligible for unknown reasons. So far, the theoretical foundations behind the speed-up are also unclear. In our work, we address these shortcomings of TD by employing techniques for analyzing iterative schemes developed over the past century. Our analysis reveals that TD possesses a mechanism that enables efficient mapping into the smallest eigenspace—an operation previously thought to necessitate costly matrix inversion. Notably, this effect is independent of the conditioning of the problem, making it particularly well-suited for RL tasks characterized by rapidly increasing condition numbers, e.g. through delayed rewards. Our novel theoretical understanding allows us to develop a scalable algorithm that integrates TD’s speed with the reliable convergence of gradient descent (GD). We additionally validate these improvements through a rigorous mathematical proof in two dimensions, as well as experiments on problems where TD and GD falter, providing valuable insights into the future of optimization techniques in artificial intelligence