ICLR 2025 论文列表

Neural networks that map between low dimensional spaces are ubiquitous in computer graphics and scientific computing; however, in their naive implementation, they are unable to learn high frequency information. We present a comprehensive analysis comparing the two most common techniques for mitigating this spectral bias: Fourier feature encodings (FFE) and multigrid parametric encodings (MPE). FFEs are seen as the standard for low dimensional mappings, but MPEs often outperform them and learn representations with higher resolution and finer detail. FFE's roots in the Fourier transform, make it susceptible to aliasing if pushed too far, while MPEs, which use a learned grid structure, have no such limitation. To understand the difference in performance, we use the neural tangent kernel (NTK) to evaluate these encodings through the lens of an analogous kernel regression. By finding a lower bound on the smallest eigenvalue of the NTK, we prove that MPEs improve a network's performance through the structure of their grid and not their learnable embedding. This mechanism is fundamentally different from FFEs, which rely solely on their embedding space to improve performance. Results are empirically validated on a 2D image regression task using images taken from 100 synonym sets of ImageNet and 3D implicit surface regression on objects from the Stanford graphics dataset. Using peak signal-to-noise ratio (PSNR) and multiscale structural similarity (MS-SSIM) to evaluate how well fine details are learned, we show that the MPE increases the minimum eigenvalue by 8 orders of magnitude over the baseline and 2 orders of magnitude over the FFE. The increase in spectrum corresponds to a 15 dB (PSNR) / 0.65 (MS-SSIM) increase over baseline and a 12 dB (PSNR) / 0.33 (MS-SSIM) increase over the FFE.

Understanding the inner workings of neural networks is essential for enhancing model performance and interpretability. Current research predominantly focuses on examining the connection between individual neurons and the model's final predictions, which suffers from challenges in interpreting the internal workings of the model, particularly when neurons encode multiple unrelated features. In this paper, we propose a novel framework that transitions the focus from analyzing individual neurons to investigating groups of neurons, shifting the emphasis from neuron-output relationships to the functional interactions between neurons. Our automated framework, NeurFlow, first identifies core neurons and clusters them into groups based on shared functional relationships, enabling a more coherent and interpretable view of the network’s internal processes. This approach facilitates the construction of a hierarchical circuit representing neuron interactions across layers, thus improving interpretability while reducing computational costs. Our extensive empirical studies validate the fidelity of our proposed NeurFlow. Additionally, we showcase its utility in practical applications such as image debugging and automatic concept labeling, thereby highlighting its potential to advance the field of neural network explainability.

Low-rank adaptation (LoRA) has been prominently employed for parameter-efficient fine-tuning of large language models (LLMs). However, the limited expressive capacity of LoRA, stemming from the low-rank constraint, has been recognized as a bottleneck, particularly in rigorous tasks like code generation and mathematical reasoning. To address this limitation, we introduce Rank-Sharing Low-Rank Adaptation (RaSA), an innovative extension that enhances the expressive capacity of LoRA by leveraging partial rank sharing across layers. By forming a shared rank pool and applying layer-specific weighting, RaSA effectively increases the number of ranks without augmenting parameter overhead. Our theoretically grounded and empirically validated approach demonstrates that RaSA not only maintains the core advantages of LoRA but also significantly boosts performance in challenging code and math tasks. Code, data and scripts are available at: https://github.com/zwhe99/RaSA.

Recent advancements in diffusion models have been leveraged to address inverse problems without additional training, and Diffusion Posterior Sampling (DPS) (Chung et al., 2022a) is among the most popular approaches. Previous analyses suggest that DPS accomplishes posterior sampling by approximating the conditional score. While in this paper, we demonstrate that the conditional score approximation employed by DPS is not as effective as previously assumed, but rather aligns more closely with the principle of maximizing a posterior (MAP). This assertion is substantiated through an examination of DPS on 512$\times$512 ImageNet images, revealing that: 1) DPS’s conditional score estimation significantly diverges from the score of a well-trained conditional diffusion model and is even inferior to the unconditional score; 2) The mean of DPS’s conditional score estimation deviates significantly from zero, rendering it an invalid score estimation; 3) DPS generates high-quality samples with significantly lower diversity. In light of the above findings, we posit that DPS more closely resembles MAP than a conditional score estimator, and accordingly propose the following enhancements to DPS: 1) we explicitly maximize the posterior through multi-step gradient ascent and projection; 2) we utilize a light-weighted conditional score estimator trained with only 100 images and 8 GPU hours. Extensive experimental results indicate that these proposed improvements significantly enhance DPS's performance. The source code for these improvements is provided in https://github.com/tongdaxu/Rethinking-Diffusion-Posterior-Sampling-From-Conditional-Score-Estimator-to-Maximizing-a-Posterior.

Machine unlearning is a critical area of research aimed at safeguarding data privacy by enabling the removal of sensitive information from machine learning models. One unique challenge in this field is catastrophic unlearning, where erasing specific data from a well-trained model unintentionally removes essential knowledge, causing the model to deviate significantly from a retrained one. To address this, we introduce a novel approach that regularizes the unlearning process by utilizing synthesized mixup samples, which simulate the data susceptible to catastrophic effects. At the core of our approach is a generator-unlearner framework, MixUnlearn, where a generator adversarially produces challenging mixup examples, and the unlearner effectively forgets target information based on these synthesized data. Specifically, we first introduce a novel contrastive objective to train the generator in an adversarial direction: generating examples that prompt the unlearner to reveal information that should be forgotten, while losing essential knowledge. Then the unlearner, guided by two other contrastive loss terms, processes the synthesized and real data jointly to ensure accurate unlearning without losing critical knowledge, overcoming catastrophic effects. Extensive evaluations across benchmark datasets demonstrate that our method significantly outperforms state-of-the-art approaches, offering a robust solution to machine unlearning. This work not only deepens understanding of unlearning mechanisms but also lays the foundation for effective machine unlearning with mixup augmentation.

Various parameter-efficient fine-tuning (PEFT) methods, including LoRA and its variants, have gained popularity for reducing computational costs. However, there is often an accuracy gap between PEFT approaches and full fine-tuning (FT), and this discrepancy has not yet been systematically explored. In this work, we introduce a method for selecting sparse sub-matrices that aims to minimize the performance gap between PEFT vs. full fine-tuning (FT) while also reducing both fine-tuning computational costs and memory costs. We explored both gradient-based and activation-based parameter selection methods to identify the most significant sub-matrices for downstream tasks, updating only these blocks during fine-tuning. In our experiments, we demonstrated that SMT consistently surpasses other PEFT baselines (e.g., LoRA and DoRA) in fine-tuning popular large language models such as LLaMA across a broad spectrum of tasks, while reducing the GPU memory footprint by 67% compared to FT. We also examine how the performance of LoRA and DoRA tends to plateau and decline as the number of trainable parameters increases, in contrast, our SMT method does not suffer from such issues.

3D Affordance detection is a challenging problem with broad applications on various robotic tasks. Existing methods typically formulate the detection paradigm as a label-based semantic segmentation task. This paradigm relies on predefined labels and lacks the ability to comprehend complex natural language, resulting in limited generalization in open-world scene. To address these limitations, we reformulate the traditional affordance detection paradigm into \textit{Instruction Reasoning Affordance Segmentation} (IRAS) task. This task is designed to output a affordance mask region given a query reasoning text, which avoids fixed categories of input labels. We accordingly propose the \textit{3D-AffordanceLLM} (3D-ADLLM), a framework designed for reasoning affordance detection in 3D open-scene. Specifically, 3D-ADLLM introduces large language models (LLMs) to 3D affordance perception with a custom-designed decoder for generating affordance masks, thus achieving open-world reasoning affordance detection. In addition, given the scarcity of 3D affordance datasets for training large models, we seek to extract knowledge from general segmentation data and transfer it to affordance detection. Thus, we propose a multi-stage training strategy that begins with a novel pre-training task, i.e., \textit{Referring Object Part Segmentation}~(ROPS). This stage is designed to equip the model with general recognition and segmentation capabilities at the object-part level. Then followed by fine-tuning with the IRAS task, 3D-ADLLM obtains the reasoning ability for affordance detection. In summary, 3D-ADLLM leverages the rich world knowledge and human-object interaction reasoning ability of LLMs, achieving approximately an 8\% improvement in mIoU on open-vocabulary affordance detection tasks.

Self-supervised learning (SSL) offers a compelling solution to the challenge of extensive labeled data requirements in traditional supervised learning. With the proven success of Vision Transformers (ViTs) in supervised tasks, there is increasing interest in adapting them for SSL frameworks. However, the high computational demands of SSL pose substantial challenges, particularly on resource-limited platforms like edge devices, despite its ability to achieve high accuracy without labeled data. Recent studies in supervised learning have shown that token pruning can reduce training costs by removing less informative tokens without compromising accuracy. However, SSL’s dual-branch encoders make traditional single-branch pruning strategies less effective, as they fail to account for the critical cross-branch similarity information, leading to reduced accuracy in SSL. To this end, we introduce SimPrune, a novel token pruning strategy designed for ViTs in SSL. SimPrune leverages cross-branch similarity information to efficiently prune tokens, retaining essential semantic information across dual branches. Additionally, we incorporate a difficulty-aware pruning strategy to further enhance SimPrune's effectiveness. Experimental results show that our proposed approach effectively reduces training computation while maintaining accuracy. Specifically, our approach offers 24\% savings in training costs compared to SSL baseline, without sacrificing accuracy.

This paper presents the first-ever study of adapting compressed image latents to suit the needs of downstream vision tasks that adopt Multimodal Large Language Models (MLLMs). MLLMs have extended the success of large language models to modalities (e.g. images) beyond text, but their billion scale hinders deployment on resource-constrained end devices. While cloud-hosted MLLMs could be available, transmitting raw, uncompressed images captured by end devices to the cloud requires an efficient image compression system. To address this, we focus on emerging neural image compression and propose a novel framework with a lightweight transform-neck and a surrogate loss to adapt compressed image latents for MLLM-based vision tasks. Given the huge scale of MLLMs, our framework excludes the entire downstream MLLM except part of its visual encoder from training our system. This stands out from most existing coding for machine approaches that involve downstream networks in training and thus could be impractical when the networks are MLLMs. The proposed framework is general in that it is applicable to various MLLMs, neural image codecs, and multiple application scenarios, where the neural image codec can be (1) pre-trained for human perception without updating, (2) fully updated for joint human and machine perception, or (3) fully updated for only machine perception. Extensive experiments on different neural image codecs and various MLLMs show that our method achieves great rate-accuracy performance with much less complexity.

We propose Linear Oscillatory State-Space models (LinOSS) for efficiently learning on long sequences. Inspired by cortical dynamics of biological neural networks, we base our proposed LinOSS model on a system of forced harmonic oscillators. A stable discretization, integrated over time using fast associative parallel scans, yields the proposed state-space model. We prove that LinOSS produces stable dynamics only requiring nonnegative diagonal state matrix. This is in stark contrast to many previous state-space models relying heavily on restrictive parameterizations. Moreover, we rigorously show that LinOSS is universal, i.e., it can approximate any continuous and causal operator mapping between time-varying functions, to desired accuracy. In addition, we show that an implicit-explicit discretization of LinOSS perfectly conserves the symmetry of time reversibility of the underlying dynamics. Together, these properties enable efficient modeling of long-range interactions, while ensuring stable and accurate long-horizon forecasting. Finally, our empirical results, spanning a wide range of time-series tasks from mid-range to very long-range classification and regression, as well as long-horizon forecasting, demonstrate that our proposed LinOSS model consistently outperforms state-of-the-art sequence models. Notably, LinOSS outperforms Mamba and LRU by nearly 2x on a sequence modeling task with sequences of length 50k.

Pre-trained on extensive text and image corpora, current Multi-Modal Large Language Models (MLLM) have shown strong capabilities in general visual reasoning tasks. However, their performance is still lacking in physical domains that require understanding diagrams with complex physical structures and quantitative analysis based on multi-modal information. To address this, we develop a new framework, named **M**ulti-Modal Scientific Re**A**soning with **P**hysics Perception and **S**imulation (**MAPS**) based on an MLLM. MAPS decomposes expert-level multi-modal reasoning task into physical diagram understanding via a Physical Perception Model (PPM) and reasoning with physical knowledge via a simulator. The PPM module is obtained by fine-tuning a visual language model using carefully designed synthetic data with paired physical diagrams and corresponding simulation language descriptions. At the inference stage, MAPS integrates the simulation language description of the input diagram provided by PPM and results obtained through a Chain-of-Simulation process with MLLM to derive the underlying rationale and the final answer. Validated using our collected college-level circuit analysis problems, MAPS significantly improves reasoning accuracy of MLLM and outperforms all existing models. The results confirm MAPS offers a promising direction for enhancing multi-modal scientific reasoning ability of MLLMs. We will release our code, model and dataset used for our experiments upon publishing of this paper.

Existing Video Scene Graph Generation (VidSGG) studies are trained in a fully supervised manner, which requires all frames in a video to be annotated, thereby incurring high annotation cost compared to Image Scene Graph Generation (ImgSGG). Although the annotation cost of VidSGG can be alleviated by adopting a weakly supervised approach commonly used for ImgSGG (WS-ImgSGG) that uses image captions, there are two key reasons that hinder such a naive adoption: 1) Temporality within video captions, i.e., unlike image captions, video captions include temporal markers (e.g., before, while, then, after) that indicate time-related details, and 2) Variability in action duration, i.e., unlike human actions in image captions, human actions in video captions unfold over varying duration. To address these issues, we propose a Natural Language-based Video Scene Graph Generation (NL-VSGG) framework that only utilizes the readily available video captions for training a VidSGG model. NL-VSGG consists of two key modules: Temporality-aware Caption Segmentation (TCS) module and Action Duration Variability-aware caption-frame alignment (ADV) module. Specifically, TCS segments the video captions into multiple sentences in a temporal order based on a Large Language Model (LLM), and ADV aligns each segmented sentence with appropriate frames considering the variability in action duration. Our approach leads to a significant enhancement in performance compared to simply applying the WS-ImgSGG pipeline to VidSGG on the Action Genome dataset. As a further benefit of utilizing the video captions as weak supervision, we show that the VidSGG model trained by NL-VSGG is able to predict a broader range of action classes that are not included in the training data, which makes our framework practical in reality.

We study gradient methods for optimizing $(L_0, L_1)$-smooth functions, a class that generalizes Lipschitz-smooth functions and has gained attention for its relevance in machine learning. We provide new insights into the structure of this function class and develop a principled framework for analyzing optimization methods in this setting. While our convergence rate estimates recover existing results for minimizing the gradient norm in nonconvex problems, our approach significantly improves the best-known complexity bounds for convex objectives. Moreover, we show that the gradient method with Polyak stepsizes and the normalized gradient method achieve nearly the same complexity guarantees as methods that rely on explicit knowledge of $(L_0, L_1)$. Finally, we demonstrate that a carefully designed accelerated gradient method can be applied to $(L_0, L_1)$-smooth functions, further improving all previous results.

We interpret the function of individual neurons in CLIP by automatically describing them using text. Analyzing the direct effects (i.e. the flow from a neuron through the residual stream to the output) or the indirect effects (overall contribution) fails to capture the neurons' function in CLIP. Therefore, we present the "second-order lens", analyzing the effect flowing from a neuron through the later attention heads, directly to the output. We find that these effects are highly selective: for each neuron, the effect is significant for <2% of the images. Moreover, each effect can be approximated by a single direction in the text-image space of CLIP. We describe neurons by decomposing these directions into sparse sets of text representations. The sets reveal polysemantic behavior - each neuron corresponds to multiple, often unrelated, concepts (e.g. ships and cars). Exploiting this neuron polysemy, we mass-produce "semantic" adversarial examples by generating images with concepts spuriously correlated to the incorrect class. Additionally, we use the second-order effects for zero-shot segmentation, outperforming previous methods. Our results indicate that a automated interpretation of neurons can be used for model deception and for introducing new model capabilities

As advancements in large language models (LLMs) continue and the demand for personalized models increases, parameter-efficient fine-tuning (PEFT) methods (e.g., LoRA) become essential due to their efficiency in reducing computation costs. However, recent studies have raised alarming concerns that LoRA fine-tuning could potentially compromise the safety alignment in LLMs, posing significant risks for the model owner. In this paper, we first investigate the underlying mechanism by analyzing the changes in safety alignment related features before and after fine-tuning. Then, we propose a fixed safety module calculated by safety data and a task-specific initialization for trainable parameters in low-rank adaptations, termed Safety-alignment preserved Low-Rank Adaptation (SaLoRA). Unlike previous LoRA methods and their variants, SaLoRA enables targeted modifications to LLMs without disrupting their original alignments. Our experiments show that SaLoRA outperforms various adapters-based approaches across various evaluation metrics in different fine-tuning tasks.

Vector Quantized Variational AutoEncoders (VQ-VAEs) are designed to compress a continuous input to a discrete latent space and reconstruct it with minimal distortion. They operate by maintaining a set of vectors---often referred to as the codebook---and quantizing each encoder output to the nearest vector in the codebook. However, as vector quantization is non-differentiable, the gradient to the encoder flows _around_ the vector quantization layer rather than _through_ it in a straight-through approximation. This approximation may be undesirable as all information from the vector quantization operation is lost. In this work, we propose a way to propagate gradients through the vector quantization layer of VQ-VAEs. We smoothly transform each encoder output into its corresponding codebook vector via a rotation and rescaling linear transformation that is treated as a constant during backpropagation. As a result, the relative magnitude and angle between encoder output and codebook vector becomes encoded into the gradient as it propagates through the vector quantization layer and back to the encoder. Across 11 different VQ-VAE training paradigms, we find this restructuring improves reconstruction metrics, codebook utilization, and quantization error.

Recent decomposition-based neural multi-objective combinatorial optimization (MOCO) methods struggle to achieve desirable performance. Even equipped with complex learning techniques, they often suffer from significant optimality gaps in weight-specific subproblems. To address this challenge, we propose a neat weight embedding method to learn weight-specific representations, which captures weight-instance interaction for the subproblems and was overlooked by most current methods. We demonstrate the potentials of our method in two instantiations. First, we introduce a succinct addition model to learn weight-specific node embeddings, which surpassed most existing neural methods. Second, we design an enhanced conditional attention model to simultaneously learn the weight embedding and node embeddings, which yielded new state-of-the-art performance. Experimental results on classic MOCO problems verified the superiority of our method. Remarkably, our method also exhibits favorable generalization performance across problem sizes, even outperforming the neural method specialized for boosting size generalization.

Humans excel at reusing prior knowledge to address new challenges and developing skills while solving problems. This paradigm becomes increasingly popular in the development of autonomous agents, as it develops systems that can self-evolve in response to new challenges like human beings. However, previous methods suffer from limited training efficiency when expanding new skills and fail to fully leverage prior knowledge to facilitate new task learning. We propose Parametric Skill Expansion and Composition (PSEC), a new framework designed to iteratively evolve the agents' capabilities and efficiently address new challenges by maintaining a manageable skill library. This library can progressively integrate skill primitives as plug-and-play Low-Rank Adaptation (LoRA) modules in parameter-efficient finetuning, facilitating efficient and flexible skill expansion. This structure also enables the direct skill compositions in parameter space by merging LoRA modules that encode different skills, leveraging shared information across skills to effectively program new skills. Based on this, we propose a context-aware modular to dynamically activate different skills to collaboratively handle new tasks. Empowering diverse applications including multi-objective composition, dynamics shift, and continual policy shift, the results on D4RL, DSRL benchmarks, and the DeepMind Control Suite show that PSEC exhibits superior capacity to leverage prior knowledge to efficiently tackle new challenges, as well as expand its skill libraries to evolve the capabilities. Project website: https://ltlhuuu.github.io/PSEC/.

This paper introduces a novel approach to solving multi-block nonconvex composite optimization problems through a proximal linearized Alternating Direction Method of Multipliers (ADMM). This method incorporates an Increasing Penalization and Decreasing Smoothing (IPDS) strategy. Distinguishing itself from existing ADMM-style algorithms, our approach (denoted IPDS-ADMM) imposes a less stringent condition, specifically requiring continuity in just one block of the objective function. IPDS-ADMM requires that the penalty increases and the smoothing parameter decreases, both at a controlled pace. When the associated linear operator is bijective, IPDS-ADMM uses an over-relaxation stepsize for faster convergence; however, when the linear operator is surjective, IPDS-ADMM uses an under-relaxation stepsize for global convergence. We devise a novel potential function to facilitate our convergence analysis and prove an oracle complexity $\mathcal{O}(\epsilon^{-3})$ to achieve an $\epsilon$-approximate critical point. To the best of our knowledge, this is the first complexity result for using ADMM to solve this class of nonsmooth nonconvex problems. Finally, some experiments on the sparse PCA problem are conducted to demonstrate the effectiveness of our approach.