ICLR 2025 论文列表

Private Transformer inference using cryptographic protocols offers promising solutions for privacy-preserving machine learning; however, it still faces significant runtime overhead (efficiency issues) and challenges in handling long-token inputs (scalability issues). We observe that the Transformer's operational complexity scales quadratically with the number of input tokens, making it essential to reduce the input token length. Notably, each token varies in importance, and many inputs contain redundant tokens. Additionally, prior private inference methods that rely on high-degree polynomial approximations for non-linear activations are computationally expensive. Therefore, reducing the polynomial degree for less important tokens can significantly accelerate private inference. Building on these observations, we propose \textit{CipherPrune}, an efficient and scalable private inference framework that includes a secure encrypted token pruning protocol, a polynomial reduction protocol, and corresponding Transformer network optimizations. At the protocol level, encrypted token pruning adaptively removes unimportant tokens from encrypted inputs in a progressive, layer-wise manner. Additionally, encrypted polynomial reduction assigns lower-degree polynomials to less important tokens after pruning, enhancing efficiency without decryption. At the network level, we introduce protocol-aware network optimization via a gradient-based search to maximize pruning thresholds and polynomial reduction conditions while maintaining the desired accuracy. Our experiments demonstrate that CipherPrune reduces the execution overhead of private Transformer inference by approximately $6.1\times$ for 128-token inputs and $10.6\times$ for 512-token inputs, compared to previous methods, with only a marginal drop in accuracy. The code is publicly available at https://github.com/UCF-Lou-Lab-PET/cipher-prune-inference.

Mathematical reasoning continues to be a critical challenge in large language model (LLM) development with significant interest. However, most of the cutting-edge progress in mathematical reasoning with LLMs has become closed-source due to lack of access to training data. This lack of data access limits researchers from understanding the impact of different choices for synthesizing and utilizing the data. With the goal of creating a high-quality finetuning (SFT) dataset for math reasoning, we conduct careful ablation experiments on data synthesis using the recently released Llama3.1 family of models. Our experiments show that: (a) solution format matters, with excessively verbose solutions proving detrimental to SFT performance, (b) data generated by a strong teacher outperforms on-policy data generated by a weak student model, (c) SFT is robust to low-quality solutions, allowing for imprecise data filtering, and (d) question diversity is crucial for achieving data scaling gains. Based on these insights, we create the OpenMathInstruct-2 dataset which consists of 14M question-solution pairs (≈ 600K unique questions), making it nearly eight times larger than the previous largest open-source math reasoning dataset. Finetuning the Llama-3.1-8B-Base using OpenMathInstruct-2 outperforms Llama3.1-8B-Instruct on MATH by an absolute 15.9% (51.9% → 67.8%). Finally, to accelerate the open-source efforts, we release the code, the finetuned models, and the OpenMathInstruct-2 dataset under a commercially permissive license.

Incremental gradient and incremental proximal methods are a fundamental class of optimization algorithms used for solving finite sum problems, broadly studied in the literature. Yet, without strong convexity, their convergence guarantees have primarily been established for the ergodic (average) iterate. We establish the first nonasymptotic convergence guarantees for the last iterate of both incremental gradient and incremental proximal methods, in general convex smooth (for both) and convex Lipschitz (for the proximal variants) settings. Our oracle complexity bounds for the last iterate nearly match (i.e., match up to a square-root-log or a log factor) the best known oracle complexity bounds for the average iterate, for both classes of methods. We further obtain generalizations of our results to weighted averaging of the iterates with increasing weights and for randomly permuted ordering of updates. We study last iterate convergence of the incremental proximal method as a mathematical abstraction of forgetting in continual learning and prove a lower bound that certifies that a large amount of regularization is crucial to mitigating catastrophic forgetting---one of the key considerations in continual learning. Our results generalize last iterate guarantees for incremental methods compared to state of the art, as such results were previously known only for overparameterized linear models, which correspond to convex quadratic problems with infinitely many solutions.

Text-to-image generative models like DALL-E and Stable Diffusion have revolutionized visual content creation across various applications, including advertising, personalized media, and design prototyping. However, crafting effective textual prompts to guide these models remains challenging, often requiring extensive trial and error. Existing prompt inversion approaches, such as soft and hard prompt techniques, are not so effective due to the limited interpretability and incoherent prompt generation. To address these issues, we propose Visually Guided Decoding (VGD), a gradient-free approach that leverages large language models (LLMs) and CLIP-based guidance to generate coherent and semantically aligned prompts. In essence, VGD utilizes the robust text generation capabilities of LLMs to produce human-readable prompts. Further, by employing CLIP scores to ensure alignment with user-specified visual concepts, VGD enhances the interpretability, generalization, and flexibility of prompt generation without the need for additional training. Our experiments demonstrate that VGD outperforms existing prompt inversion techniques in generating understandable and contextually relevant prompts, facilitating more intuitive and controllable interactions with text-to-image models.

Recent advancements in Large Language Models (LLMs) have led to a rapid growth of agentic systems capable of handling a wide range of complex tasks. However, current research largely relies on manual, task-specific design, limiting their adaptability to novel tasks. In this paper, we introduce a new research problem: Modularized LLM Agent Search (MoLAS). We propose a modular design space that abstracts existing LLM agent designs into four fundamental modules with uniform IO interface: Planning, Reasoning, Tool Use, and Memory. Building on this design space, we present a novel LLM agent search framework called AgentSquare, which introduces two core mechanisms, i.e., module evolution and recombination, to efficiently search for optimized LLM agents. To further accelerate the process, we design a performance predictor that uses in-context surrogate models to skip unpromising agent designs. Extensive experiments across six benchmarks, covering the diverse scenarios of web, embodied, tool use and game applications, show that AgentSquare substantially outperforms hand-crafted agents, achieving an average performance gain of 17.2% against best-known human designs. Moreover, AgentSquare can generate interpretable design insights, enabling a deeper understanding of agentic architecture and its impact on task performance. We believe that the modular design space and AgentSquare search framework offer a platform for fully exploiting the potential of prior successful designs and consolidate the collective efforts of research community. Code repo is available at https://github.com/tsinghua-fib-lab/AgentSquare.

We leverage 3D Gaussian Splatting (3DGS) as a scene representation and propose a novel test-time camera pose refinement (CPR) framework, GS-CPR. This framework enhances the localization accuracy of state-of-the-art absolute pose regression and scene coordinate regression methods. The 3DGS model renders high-quality synthetic images and depth maps to facilitate the establishment of 2D-3D correspondences. GS-CPR obviates the need for training feature extractors or descriptors by operating directly on RGB images, utilizing the 3D foundation model, MASt3R, for precise 2D matching. To improve the robustness of our model in challenging outdoor environments, we incorporate an exposure-adaptive module within the 3DGS framework. Consequently, GS-CPR enables efficient one-shot pose refinement given a single RGB query and a coarse initial pose estimation. Our proposed approach surpasses leading NeRF-based optimization methods in both accuracy and runtime across indoor and outdoor visual localization benchmarks, achieving new state-of-the-art accuracy on two indoor datasets.

We introduce DRESS, a novel approach for generating stylized large language model (LLM) responses through representation editing. Existing methods like prompting and fine-tuning are either insufficient for complex style adaptation or computationally expensive, particularly in tasks like NPC creation or character role-playing. Our approach leverages the over-parameterized nature of LLMs to disentangle a style-relevant subspace within the model's representation space to conduct representation editing, ensuring a minimal impact on the original semantics. By applying adaptive editing strengths, we dynamically adjust the steering vectors in the style subspace to maintain both stylistic fidelity and semantic integrity. We develop two stylized QA benchmark datasets to validate the effectiveness of DRESS, and the results demonstrate significant improvements compared to baseline methods such as prompting and ITI. In short, DRESS is a lightweight, train-free solution for enhancing LLMs with flexible and effective style control, making it particularly useful for developing stylized conversational agents. Codes and benchmark datasets are available at https://github.com/ArthurLeoM/DRESS-LLM.

Structure-based drug design (SBDD) is crucial for developing specific and effective therapeutics against protein targets but remains challenging due to complex protein-ligand interactions and vast chemical space. Although language models (LMs) have excelled in natural language processing, their application in SBDD is underexplored. To bridge this gap, we introduce a method, known as Frag2Seq, to apply LMs to SBDD by generating molecules in a fragment-based manner in which fragments correspond to functional modules. We transform 3D molecules into fragment-informed sequences using $SE(3)$-equivariant molecule and fragment local frames, extracting $SE(3)$-invariant sequences that preserve geometric information of 3D fragments. Furthermore, we incorporate protein pocket embeddings obtained from a pre-trained inverse folding model into the LMs via cross-attention to capture protein-ligand interaction, enabling effective target-aware molecule generation. Benefiting from employing LMs with fragment-based generation and effective protein context encoding, our model achieves the best performance on binding vina score and chemical properties such as QED and Lipinski, which shows our model’s efficacy in generating drug-like ligands with higher binding affinity against target proteins. Moreover, our method also exhibits higher sampling efficiency compared to atom-based autoregressive and diffusion baselines with at most $\times 300$ speedup. The code will be made publicly available at https://github.com/divelab/AIRS/tree/main/OpenMI/Frag2Seq.

In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting more closely mirrors complex real-world problems compared to single-objective optimization. Recent works mainly employ evolutionary algorithms and Bayesian optimization, with limited attention given to the generative modeling capabilities inherent in such data. In this study, we explore generative modeling in offline MOO through flow matching, noted for its effectiveness and efficiency. We introduce \textit{ParetoFlow}, specifically designed to guide flow sampling to approximate the Pareto front. Traditional predictor~(classifier) guidance is inadequate for this purpose because it models only a single objective. In response, we propose a \textit{multi-objective predictor guidance} module that assigns each sample a weight vector, representing a weighted distribution across multiple objective predictions. A local filtering scheme is introduced to address non-convex Pareto fronts. These weights uniformly cover the entire objective space, effectively directing sample generation towards the Pareto front. Since distributions with similar weights tend to generate similar samples, we introduce a \textit{neighboring evolution} module to foster knowledge sharing among neighboring distributions. This module generates offspring from these distributions, and selects the most promising one for the next iteration. Our method achieves state-of-the-art performance across various tasks. Our code is available.

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive structure, posing great challenges to developing a Graph Foundation Model (GFM). For example, current attempts at designing general graph models either transform graph data into a language format for LLM-based prediction or still train a GNN model with LLM as an assistant. The former can handle unlimited tasks, while the latter captures graph structure much better---yet, no existing work can achieve both simultaneously. In this paper, we first identify three key desirable properties of a GFM: self-supervised pretraining, fluidity in tasks, and graph awareness. To account for these properties, we extend the conventional language modeling to the graph domain and propose a novel generative graph language model GOFA. The model interleaves randomly initialized GNN layers into a frozen pre-trained LLM so that the semantic and structural modeling abilities are organically combined. GOFA is pre-trained on newly proposed graph-level next-word prediction, question-answering, structural understanding, and information retrieval tasks to obtain the above GFM properties. The pre-trained model is further instruction fine-tuned to obtain the task-solving ability. Our GOFA model is evaluated on various downstream datasets unseen during the pre-training and fine-tuning phases, demonstrating a strong ability to solve structural and contextual problems in zero-shot scenarios. The code is available at https://github.com/JiaruiFeng/GOFA.

Leveraging machine learning (ML) to predict an initial solution for mixed-integer linear programming (MILP) has gained considerable popularity in recent years. These methods predict a solution and fix a subset of variables to reduce the problem dimension. Then, they solve the reduced problem to obtain the final solutions. However, directly fixing variable values can lead to low-quality solutions or even infeasible reduced problems if the predicted solution is not accurate enough. To address this challenge, we propose an Alternating prediction-correction neural solving framework (Apollo-MILP) that can identify and select accurate and reliable predicted values to fix. In each iteration, Apollo-MILP conducts a prediction step for the unfixed variables, followed by a correction step to obtain an improved solution (called reference solution) through a trust-region search. By incorporating the predicted and reference solutions, we introduce a novel Uncertainty-based Error upper BOund (UEBO) to evaluate the uncertainty of the predicted values and fix those with high confidence. A notable feature of Apollo-MILP is the superior ability for problem reduction while preserving optimality, leading to high-quality final solutions. Experiments on commonly used benchmarks demonstrate that our proposed Apollo-MILP significantly outperforms other ML-based approaches in terms of solution quality, achieving over a 50% reduction in the solution gap.

We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task.

Image watermark techniques provide an effective way to assert ownership, deter misuse, and trace content sources, which has become increasingly essential in the era of large generative models. A critical attribute of watermark techniques is their robustness against various manipulations. In this paper, we introduce a watermark removal approach capable of effectively nullifying state-of-the-art watermarking techniques. Our primary insight involves regenerating the watermarked image starting from a \textbf{clean Gaussian noise} via a controllable diffusion model, utilizing the extracted semantic and spatial features from the watermarked image. The semantic control adapter and the spatial control network are specifically trained to control the denoising process towards ensuring image quality and enhancing consistency between the cleaned image and the original watermarked image. To achieve a smooth trade-off between watermark removal performance and image consistency, we further propose an adjustable and controllable regeneration scheme. This scheme adds varying numbers of noise steps to the latent representation of the watermarked image, followed by a controlled denoising process starting from this noisy latent representation. As the number of noise steps increases, the latent representation progressively approaches clean Gaussian noise, facilitating the desired trade-off. We apply our watermark removal methods across various watermarking techniques, and the results demonstrate that our methods offer superior visual consistency/quality and enhanced watermark removal performance compared to existing regeneration approaches. Our code is available at \url{https://github.com/yepengliu/CtrlRegen}.

Rehearsal-based continual learning (CL) aims to mitigate catastrophic forgetting by maintaining a subset of samples from previous tasks and replaying them. The rehearsal memory can be naturally constructed as a coreset, designed to form a compact subset that enables training with performance comparable to using the full dataset. The coreset selection task can be formulated as bilevel optimization that solves for the subset to minimize the outer objective of the learning task. Existing methods primarily rely on inefficient probabilistic sampling or local gradient-based scoring to approximate sample importance through an iterative process that can be susceptible to ambiguity or noise. Specifically, non-representative samples like ambiguous or noisy samples are difficult to learn and incur high loss values even when training on the full dataset. However, existing methods relying on local gradient tend to highlight these samples in an attempt to minimize the outer loss, leading to a suboptimal coreset. To enhance coreset selection, especially in CL where high-quality samples are essential, we propose a coreset selection method that measures sample importance using reducible loss (ReL) that quantifies the impact of adding a sample to model performance. By leveraging ReL and a process derived from bilevel optimization, we identify and retain samples that yield the highest performance gain. They are shown to be informative and representative. Furthermore, ReL requires only forward computation, making it significantly more efficient than previous methods. To better apply coreset selection in CL, we extend our method to address key challenges such as task interference, streaming data, and knowledge distillation. Experiments on data summarization and continual learning demonstrate the effectiveness and efficiency of our approach.

Deep InfoMax (DIM) is a well-established method for self-supervised representation learning (SSRL) based on maximization of the mutual information between the input and the output of a deep neural network encoder. Despite the DIM and contrastive SSRL in general being well-explored, the task of learning representations conforming to a specific distribution (i.e., distribution matching, DM) is still under-addressed. Motivated by the importance of DM to several downstream tasks (including generative modeling, disentanglement, outliers detection and other), we enhance DIM to enable automatic matching of learned representations to a selected prior distribution. To achieve this, we propose injecting an independent noise into the normalized outputs of the encoder, while keeping the same InfoMax training objective. We show that such modification allows for learning uniformly and normally distributed representations, as well as representations of other absolutely continuous distributions. Our approach is tested on various downstream tasks. The results indicate a moderate trade-off between the performance on the downstream tasks and quality of DM.

As video language models (VLMs) gain more applications in various scenarios, the need for robust and scalable evaluation of their performance becomes increasingly critical. The traditional human expert-based evaluation of VLMs has limitations in consistency and scalability, which sparked interest in automatic methods such as employing VLMs to evaluate VLMs. However, the reliability of VLMs as judges remains underexplored. Existing methods often rely on a single VLM as the evaluator. However, this approach can be unreliable or biased because such a model may lack the ability to fully understand the content and may have inherent biases, ultimately compromising evaluation reliability. A remedy is to apply the principle of collective thoughts, aggregating evaluations from multiple VLMs to enhance reliability. This study investigates the efficacy of such approaches, particularly when the pool of judges includes both reliable and unreliable models. Our findings reveal that incorporating collective judgments from such a mixed pool does not necessarily improve the accuracy of the final evaluation. The inclusion of less reliable judges can introduce noise, undermining the overall reliability of the outcomes. To explore the factors that impact evaluation reliability, we fine-tune an underperforming VLM judge, Video-LLaVA, and observe that improved understanding ability alone is insufficient to make VLM judges more reliable. These findings stress the limitations of collective thought approaches and highlight the need for more advanced methods that can account for the reliability of individual models. Our study promotes the development of more reliable evaluation methods for VLMs

Recent advancements in video diffusion models demonstrate remarkable capabilities in simulating real-world dynamics and 3D consistency. This progress motivates us to explore the potential of these models to maintain dynamic consistency across diverse viewpoints, a feature highly sought after in applications like virtual filming. Unlike existing methods focused on multi-view generation of single objects for 4D reconstruction, our interest lies in generating open-world videos from arbitrary viewpoints, incorporating six degrees of freedom (6 DoF) camera poses. To achieve this, we propose a plug-and-play module that enhances a pre-trained text-to-video model for multi-camera video generation, ensuring consistent content across different viewpoints. Specifically, we introduce a multi-view synchronization module designed to maintain appearance and geometry consistency across these viewpoints. Given the scarcity of high-quality training data, we also propose a progressive training scheme that leverages multi-camera images and monocular videos as a supplement to Unreal Engine-rendered multi-camera videos. This comprehensive approach significantly benefits our model. Experimental results demonstrate the superiority of our proposed method over existing competitors and several baselines. Furthermore, our method enables intriguing extensions, such as re-rendering a video from multiple novel viewpoints. Project webpage: https://jianhongbai.github.io/SynCamMaster/

The outstanding capability of diffusion models in generating high-quality images poses significant threats when misused by adversaries. In particular, we assume malicious adversaries exploiting diffusion models for inpainting tasks, such as replacing a specific region with a celebrity. While existing methods for protecting images from manipulation in diffusion-based generative models have primarily focused on image-to-image and text-to-image tasks, the challenge of preventing unauthorized inpainting has been rarely addressed, often resulting in suboptimal protection performance. To mitigate inpainting abuses, we propose ADVPAINT, a novel defensive framework that generates adversarial perturbations that effectively disrupt the adversary’s inpainting tasks. ADVPAINT targets the self- and cross-attention blocks in a target diffusion inpainting model to distract semantic understanding and prompt interactions during image generation. ADVPAINT also employs a two-stage perturbation strategy, dividing the perturbation region based on an enlarged bounding box around the object, enhancing robustness across diverse masks of varying shapes and sizes. Our experimental results demonstrate that ADVPAINT’s perturbations are highly effective in disrupting the adversary’s inpainting tasks, outperforming existing methods; ADVPAINT attains over a 100-point increase in FID and substantial decreases in precision.

We introduce a novel framework that generalizes $f$-divergences by incorporating locally non-convex divergence-generating functions. Using this extension, we define a new class of pseudo $f$-divergences, encompassing a wider range of distances between distributions that traditional $f$-divergences cannot capture. Among these, we focus on a particular pseudo divergence obtained by considering the induced metric of Bayes Hilbert spaces. Bayes Hilbert spaces are frequently used due to their inherent connection to Bayes's theorem. They allow sampling from potentially intractable posterior densities, which has remained challenging until now. In the more general context, we prove that pseudo $f$-divergences are well-defined and introduce a variational estimation framework that can be used in a statistical learning context. By applying this variational estimation framework to $f$-GANs, we achieve improved FID scores over existing $f$-GAN architectures and competitive results with the Wasserstein GAN, highlighting its potential for both theoretical research and practical applications in learning theory.