论文检索

Deep Learning · Large Language Models

Yu Shang, Yu Li, Keyu Zhao, Likai Ma, Jiahe Liu, Fengli Xu, Yong Li

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.

Deep Learning · Large Language Models

Richard Zhuang, Tianhao Wu, Zhaojin Wen, Andrew Li, Jiantao Jiao, Kannan Ramchandran

With hundreds of thousands of language models available on Huggingface today, efficiently evaluating and utilizing these models across various downstream tasks has become increasingly critical. Many existing methods repeatedly learn task-specific representations of Large Language Models (LLMs), which leads to inefficiencies in both time and computational resources. To address this, we propose EmbedLLM, a framework designed to learn compact vector representations of LLMs that facilitate downstream applications involving many models, such as model routing. We introduce an encoder-decoder approach for learning such embedding, along with a systematic framework to evaluate their effectiveness. Empirical results show that EmbedLLM outperforms prior methods in model routing. Additionally, we demonstrate that our method can forecast a model's performance on multiple benchmarks, without incurring additional inference cost. Extensive probing experiments validate that the learned embeddings capture key model characteristics, e.g. whether the model is specialized for coding tasks, even without being explicitly trained on them. We open source our dataset, code and embedder to facilitate further research and application.

Deep Learning · Large Language Models

Xinyu Ma, Yifeng Xu, Yang Lin, Tianlong Wang, Xu Chu, Xin Gao, Junfeng Zhao, Yasha Wang

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.

Applications · Computer Vision

Huajian Huang, Yingshu Chen, Longwei Li, Hui Cheng, Tristan Braud, Yajie Zhao, Sai-Kit Yeung

360-degree cameras streamline data collection for radiance field 3D reconstruction by capturing comprehensive scene data. However, traditional radiance field methods do not address the specific challenges inherent to 360-degree images. We present SC-OmniGS, a novel self-calibrating omnidirectional Gaussian splatting system for fast and accurate omnidirectional radiance field reconstruction using 360-degree images. Rather than converting 360-degree images to cube maps and performing perspective image calibration, we treat 360-degree images as a whole sphere and derive a mathematical framework that enables direct omnidirectional camera pose calibration accompanied by 3D Gaussians optimization. Furthermore, we introduce a differentiable omnidirectional camera model in order to rectify the distortion of real-world data for performance enhancement. Overall, the omnidirectional camera intrinsic model, extrinsic poses, and 3D Gaussians are jointly optimized by minimizing weighted spherical photometric loss. Extensive experiments have demonstrated that our proposed SC-OmniGS is able to recover a high-quality radiance field from noisy camera poses or even no pose prior in challenging scenarios characterized by wide baselines and non-object-centric configurations. The noticeable performance gain in the real-world dataset captured by consumer-grade omnidirectional cameras verifies the effectiveness of our general omnidirectional camera model in reducing the distortion of 360-degree images.

Deep Learning · Large Language Models

Hao (Mark) Chen, Fuwen Tan, Alexandros Kouris, Royson Lee, Hongxiang Fan, Stylianos Venieris

In spite of the great potential of large language models (LLMs) across various tasks, their deployment on resource-constrained devices remains challenging due to their excessive computational and memory demands. Quantization has emerged as an effective solution by storing weights in reduced precision. However, utilizing low precisions (i.e.~2/3-bit) to substantially alleviate the memory-boundedness of LLM decoding, still suffers from prohibitive performance drop. In this work, we argue that existing approaches fail to explore the diversity in computational patterns, redundancy, and sensitivity to approximations of the different phases of LLM inference, resorting to a uniform quantization policy throughout.Instead, we propose a novel phase-aware method that selectively allocates precision during different phases of LLM inference, achieving both strong context extraction during prefill and efficient memory bandwidth utilization during decoding. To further address the memory-boundedness of the decoding phase, we introduce Progressive Mixed-Precision Decoding (PMPD), a technique that enables the gradual lowering of precision deeper in the generated sequence, together with a spectrum of precision-switching schedulers that dynamically drive the precision-lowering decisions in either task-adaptive or prompt-adaptive manner. Extensive evaluation across diverse language tasks shows that when targeting Nvidia GPUs, PMPD achieves 1.4$-$12.2$\times$ speedup in matrix-vector multiplications over fp16 models, while when targeting an LLM-optimized NPU, our approach delivers a throughput gain of 3.8$-$8.0$\times$ over fp16 models and up to 1.54$\times$ over uniform quantization approaches while preserving the output quality.

Applications · Computer Vision

Zheng Chong, Xiao Dong, Haoxiang Li, shiyue Zhang, Wenqing Zhang, Hanqing Zhao, xujie zhang, Dongmei Jiang, Xiaodan Liang

Virtual try-on methods based on diffusion models achieve realistic effects but often require additional encoding modules, a large number of training parameters, and complex preprocessing, which increases the burden on training and inference. In this work, we re-evaluate the necessity of additional modules and analyze how to improve training efficiency and reduce redundant steps in the inference process. Based on these insights, we propose CatVTON, a simple and efficient virtual try-on diffusion model that transfers in-shop or worn garments of arbitrary categories to target individuals by concatenating them along spatial dimensions as inputs of the diffusion model. The efficiency of CatVTON is reflected in three aspects: (1) Lightweight network. CatVTON consists only of a VAE and a simplified denoising UNet, removing redundant image and text encoders as well as cross-attentions, and includes just 899.06M parameters. (2) Parameter-efficient training. Through experimental analysis, we identify self-attention modules as crucial for adapting pre-trained diffusion models to the virtual try-on task, enabling high-quality results with only 49.57M training parameters. (3) Simplified inference. CatVTON eliminates unnecessary preprocessing, such as pose estimation, human parsing, and captioning, requiring only a person image and garment reference to guide the virtual try-on process, reducing over 49% memory usage compared to other diffusion-based methods. Extensive experiments demonstrate that CatVTON achieves superior qualitative and quantitative results compared to baseline methods and demonstrates strong generalization performance in in-the-wild scenarios, despite being trained solely on public datasets with 73K samples.

Deep Learning · Large Language Models

Haowen Pan, Xiaozhi Wang, Yixin Cao, Zenglin Shi, Xun Yang, Juanzi Li, Meng Wang

Knowledge editing aims to update outdated information in Large Language Models (LLMs). A representative line of study is locate-then-edit methods, which typically employ causal tracing to identify the modules responsible for recalling factual knowledge about entities. However, we find these methods are often sensitive only to changes in the subject entity, leaving them less effective at adapting to changes in relations. This limitation results in poor editing locality, which can lead to the persistence of irrelevant or inaccurate facts, ultimately compromising the reliability of LLMs. We believe this issue arises from the insufficient precision of knowledge localization. To address this, we propose a Fine-grained Neuron-level Knowledge Editing (FiNE) method that enhances editing locality without affecting overall success rates. By precisely identifying and modifying specific neurons within feed-forward networks, FiNE significantly improves knowledge localization and editing. Quantitative experiments demonstrate that FiNE efficiently achieves better overall performance compared to existing techniques, providing new insights into the localization and modification of knowledge within LLMs.

Deep Learning · Generative Models and Autoencoders

Ao Li, Wei Fang, Hongbo Zhao, Le Lu, Ge Yang, Minfeng Xu

In applications of diffusion models, controllable generation is of practical significance, but is also challenging. Current methods for controllable generation primarily focus on modifying the score function of diffusion models, while Mean Reverting (MR) Diffusion directly modifies the structure of the stochastic differential equation (SDE), making the incorporation of image conditions simpler and more natural. However, current training-free fast samplers are not directly applicable to MR Diffusion. And thus MR Diffusion requires hundreds of NFEs (number of function evaluations) to obtain high-quality samples. In this paper, we propose a new algorithm named MaRS (MR Sampler) to reduce the sampling NFEs of MR Diffusion. We solve the reverse-time SDE and the probability flow ordinary differential equation (PF-ODE) associated with MR Diffusion, and derive semi-analytical solutions. The solutions consist of an analytical function and an integral parameterized by a neural network. Based on this solution, we can generate high-quality samples in fewer steps. Our approach does not require training and supports all mainstream parameterizations, including noise prediction, data prediction and velocity prediction. Extensive experiments demonstrate that MR Sampler maintains high sampling quality with a speedup of 10 to 20 times across ten different image restoration tasks. Our algorithm accelerates the sampling procedure of MR Diffusion, making it more practical in controllable generation.

Applications · Chemistry and Drug Discovery

Jingjie Zhang, Hanqun Cao, Zijun Gao, Xiaorui Wang, Chunbin Gu

Phosphorylation site prediction based on kinase-substrate interaction plays a vital role in understanding cellular signaling pathways and disease mechanisms. Computational methods for this task can be categorized into kinase-family-focused and individual kinase-targeted approaches. Individual kinase-targeted methods have gained prominence for their ability to explore a broader protein space and provide more precise target information for kinase inhibitors. However, most existing individual kinase-based approaches focus solely on sequence inputs, neglecting crucial structural information. To address this limitation, we introduce SAGEPhos (Structure-aware kinAse-substrate bio-coupled and bio-auGmented nEtwork for Phosphorylation site prediction), a novel framework that modifies the semantic space of main protein inputs using auxiliary inputs at two distinct modality levels. At the inter-modality level, SAGEPhos introduces a Bio-Coupled Modal Fusion method, distilling essential kinase sequence information to refine task-oriented local substrate feature space, creating a shared semantic space that captures crucial kinase-substrate interaction patterns. Within the substrate's intra-modality domain, it focuses on Bio-Augmented Fusion, emphasizing 2D local sequence information while selectively incorporating 3D spatial information from predicted structures to complement the sequence space. Moreover, to address the lack of structural information in current datasets, we contribute a new, refined phosphorylation site prediction dataset, which incorporates crucial structural elements and will serve as a new benchmark for the field. Experimental results demonstrate that SAGEPhos significantly outperforms baseline methods, notably achieving almost 10\% and 12\% improvements in prediction accuracy and AUC-ROC, respectively. We further demonstrate our algorithm's robustness and generalization through stable results across varied data partitions and significant improvements in zero-shot scenarios. These results underscore the effectiveness of constructing a larger and more precise protein space in advancing the state-of-the-art in phosphorylation site prediction. We release the SAGEPhos models and code at https://github.com/ZhangJJ26/SAGEPhos.

Deep Learning · Generative Models and Autoencoders

Guiyu Zhang, Huan-ang Gao, Zijian Jiang, Hao Zhao, Zhedong Zheng

In this paper, we focus on the task of conditional image generation, where an image is synthesized according to user instructions. The critical challenge underpinning this task is ensuring both the fidelity of the generated images and their semantic alignment with the provided conditions. To tackle this issue, previous studies have employed supervised perceptual losses derived from pre-trained models, i.e., reward models, to enforce alignment between the condition and the generated result. However, we observe one inherent shortcoming: considering the diversity of synthesized images, the reward model usually provides inaccurate feedback when encountering newly generated data, which can undermine the training process. To address this limitation, we propose an uncertainty-aware reward modeling, called Ctrl-U, including uncertainty estimation and uncertainty-aware regularization, designed to reduce the adverse effects of imprecise feedback from the reward model. Given the inherent cognitive uncertainty within reward models, even images generated under identical conditions often result in a relatively large discrepancy in reward loss. Inspired by the observation, we explicitly leverage such prediction variance as an uncertainty indicator. Based on the uncertainty estimation, we regularize the model training by adaptively rectifying the reward. In particular, rewards with lower uncertainty receive higher loss weights, while those with higher uncertainty are given reduced weights to allow for larger variability. The proposed uncertainty regularization facilitates reward fine-tuning through consistency construction. Extensive experiments validate the effectiveness of our methodology in improving the controllability and generation quality, as well as its scalability across diverse conditional scenarios, including segmentation mask, edge, and depth conditions.

Deep Learning · Robustness

Maayan Ehrenberg, Roy Ganz, Nir Rosenfeld

Adversarial training aims to defend against *adversaries*: malicious opponents whose sole aim is to harm predictive performance in any way possible. This presents a rather harsh perspective, which we assert results in unnecessarily conservative training. As an alternative, we propose to model opponents as simply pursuing their own goals—rather than working directly against the classifier. Employing tools from strategic modeling, our approach enables knowledge or beliefs regarding the opponent's possible incentives to be used as inductive bias for learning. Accordingly, our method of *strategic training* is designed to defend against all opponents within an `incentive uncertainty set'. This resorts to adversarial learning when the set is maximal, but offers potential gains when the set can be appropriately reduced. We conduct a series of experiments that show how even mild knowledge regarding the opponent's incentives can be useful, and that the degree of potential gains depends on how these incentives relate to the structure of the learning task.

Reinforcement Learning · Everything Else

Chenyang Cao, Yucheng Xin, Silang Wu, Longxiang He, Zichen Yan, Junbo Tan, Xueqian Wang

Offline Safe Reinforcement Learning (RL) seeks to address safety constraints by learning from static datasets and restricting exploration. However, these approaches heavily rely on the dataset and struggle to generalize to unseen scenarios safely. In this paper, we aim to improve safety during the deployment of vision-based robotic tasks through online fine-tuning an offline pretrained policy. To facilitate effective fine-tuning, we introduce model-based RL, which is known for its data efficiency. Specifically, our method employs in-sample optimization to improve offline training efficiency while incorporating reachability guidance to ensure safety. After obtaining an offline safe policy, a safe policy expansion approach is leveraged for online fine-tuning. The performance of our method is validated on simulation benchmarks with five vision-only tasks and through real-world robot deployment using limited data. It demonstrates that our approach significantly improves the generalization of offline policies to unseen safety-constrained scenarios. To the best of our knowledge, this is the first work to explore offline-to-online RL for safe generalization tasks. The videos are available at https://sunlighted.github.io/fosp_web/.

Deep Learning · Other Representation Learning

Omer Sahin Tas, Royden Wagner

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable features are embedded in hidden states. Our experiments reveal high probing accuracy, indicating latent space regularities with functionally important directions. Building on this, we use the directions between hidden states with opposing features to fit control vectors. At inference, we add our control vectors to hidden states and evaluate their impact on predictions. Remarkably, such modifications preserve the feasibility of predictions. We further refine our control vectors using sparse autoencoders (SAEs). This leads to more linear changes in predictions when scaling control vectors. Our approach enables mechanistic interpretation as well as zero-shot generalization to unseen dataset characteristics with negligible computational overhead.

Miscellaneous Aspects of Machine Learning · Representation Learning

Siqi Zeng, Sixian Du, Makoto Yamada, Han Zhao

To embed structured knowledge within labels into feature representations, prior work (Zeng et al., 2022) proposed to use the Cophenetic Correlation Coefficient (CPCC) as a regularizer during supervised learning. This regularizer calculates pairwise Euclidean distances of class means and aligns them with the corresponding shortest path distances derived from the label hierarchy tree. However, class means may not be good representatives of the class conditional distributions, especially when they are multi-mode in nature. To address this limitation, under the CPCC framework, we propose to use the Earth Mover's Distance (EMD) to measure the pairwise distances among classes in the feature space. We show that our exact EMD method generalizes previous work, and recovers the existing algorithm when class-conditional distributions are Gaussian in the feature space. To further improve the computational efficiency of our method, we introduce the Optimal Transport-CPCC family by exploring four EMD approximation variants. Our most efficient OT-CPCC variant runs in linear time in the size of the dataset, while maintaining competitive performance across datasets and tasks. The code is available at https://github.com/uiuctml/OTCPCC.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Arjun Roy, Kaushik Roy

The convergence of fully homomorphic encryption (FHE) and machine learning offers unprecedented opportunities for private inference of sensitive data. FHE enables computation directly on encrypted data, safeguarding the entire machine learning pipeline, including data and model confidentiality. However, existing FHE-based implementations for deep neural networks face significant challenges in computational cost, latency, and scalability, limiting their practical deployment. This paper introduces DCT-CryptoNets, a novel approach that operates directly in the frequency-domain to reduce the burden of computationally expensive non-linear activations and homomorphic bootstrap operations during private inference. It does so by utilizing the discrete cosine transform (DCT), commonly employed in JPEG encoding, which has inherent compatibility with remote computing services where images are generally stored and transmitted in this encoded format. DCT-CryptoNets demonstrates a substantial latency reductions of up to 5.3$\times$ compared to prior work on benchmark image classification tasks. Notably, it demonstrates inference on the ImageNet dataset within 2.5 hours (down from 12.5 hours on equivalent 96-thread compute resources). Furthermore, by *learning* perceptually salient low-frequency information DCT-CryptoNets improves the reliability of encrypted predictions compared to RGB-based networks by reducing error accumulating homomorphic bootstrap operations. DCT-CryptoNets also demonstrates superior scalability to RGB-based networks by further reducing computational cost as image size increases. This study demonstrates a promising avenue for achieving efficient and practical private inference of deep learning models on high resolution images seen in real-world applications.

Deep Learning · Robustness

Rishub Tamirisa, Bhrugu Bharathi, Long Phan, Andy Zhou, Alice Gatti, Tarun Suresh, Maxwell Lin, Justin Wang, Rowan Wang, Ron Arel 等

Rapid advances in the capabilities of large language models (LLMs) have raised widespread concerns regarding their potential for malicious use. Open-weight LLMs present unique challenges, as existing safeguards lack robustness to tampering attacks that modify model weights. For example, recent works have demonstrated that refusal and unlearning safeguards can be trivially removed with a few steps of fine-tuning. These vulnerabilities necessitate new approaches for enabling the safe release of open-weight LLMs. We develop a method, called TAR, for building tamper-resistant safeguards into open-weight LLMs such that adversaries cannot remove the safeguards even after hundreds of steps of fine-tuning. In extensive evaluations and red teaming analyses, we find that our method greatly improves tamper-resistance while preserving benign capabilities. Our results demonstrate that progress on tamper-resistance is possible, opening up a promising new avenue to improve the safety and security of open-weight LLMs.

Theory · Learning Theory

Christos Thrampoulidis, Rouzbeh Ghaderi, Hossein Taheri, Puneesh Deora

The training and generalization dynamics of the Transformer's core mechanism, namely the Attention mechanism, remain under-explored. Besides, existing analyses primarily focus on single-head attention. Inspired by the demonstrated benefits of overparameterization when training fully-connected networks, we investigate the potential optimization and generalization advantages of using multiple attention heads. Towards this goal, we derive convergence and generalization guarantees for gradient-descent training of a single-layer multi-head self-attention model, under a suitable realizability condition on the data. We then establish primitive conditions on the initialization that ensure realizability holds. Finally, we demonstrate that these conditions are satisfied for a simple tokenized-mixture model. We expect the analysis can be extended to various data-model and architecture variations.

Chang Ma, Haiteng Zhao, Junlei Zhang, Junxian He, Lingpeng Kong

Large Language Models (LLMs) have demonstrated remarkable abilities in reasoning and planning. Despite their success in various domains, such as mathematical problem-solving and coding, LLMs face challenges in ensuring reliable and optimal planning due to the inherent myopic nature of autoregressive decoding. This paper revisits LLM reasoning from an optimal control perspective, proposing a novel method, Predictive-Decoding, that leverages Model Predictive Control to enhance planning accuracy. By reweighting LLM distributions based on foresight trajectories, Predictive-Decoding aims to mitigate early errors and promote non-myopic planning. Our experiments show significant improvements across a wide range of tasks in math, coding, and agent-based scenarios. Furthermore, Predictive-Decoding demonstrates computational efficiency, outperforming search baselines while utilizing inference compute more effectively. This study provides insights into optimizing LLM planning capabilities.

Deep Learning · Large Language Models

Haiyan Zhao, Heng Zhao, Bo Shen, Ali Payani, Fan Yang, Mengnan Du

Probing learned concepts in large language models (LLMs) is crucial for understanding how semantic knowledge is encoded internally. Training linear classifiers on probing tasks is a principle approach to denote the vector of a certain concept in the representation space. However, the single vector identified for a concept varies with both data and training, making it less robust and weakening its effectiveness in real-world applications. To address this challenge, we propose an approach to approximate the subspace representing a specific concept. Built on linear probing classifiers, we extend the concept vectors into Gaussian Concept Subspace (GCS). We demonstrate GCS's effectiveness through measuring its faithfulness and plausibility across multiple LLMs with different sizes and architectures. Additionally, we use representation intervention tasks to showcase its efficacy in real-world applications such as emotion steering. Experimental results indicate that GCS concept vectors have the potential to balance steering performance and maintaining the fluency in natural language generation tasks.

Social Aspects · Fairness, Equity, Justice and Safety

Xuannan Liu, Zekun Li, Pei Li, Huaibo Huang, Shuhan Xia, Xing Cui, Linzhi Huang, Weihong Deng, Zhaofeng He

Current multimodal misinformation detection (MMD) methods often assume a single source and type of forgery for each sample, which is insufficient for real-world scenarios where multiple forgery sources coexist. The lack of a benchmark for mixed-source misinformation has hindered progress in this field. To address this, we introduce MMFakeBench, the first comprehensive benchmark for mixed-source MMD. MMFakeBench includes 3 critical sources: textual veracity distortion, visual veracity distortion, and cross-modal consistency distortion, along with 12 sub-categories of misinformation forgery types. We further conduct an extensive evaluation of 6 prevalent detection methods and 15 Large Vision-Language Models (LVLMs) on MMFakeBench under a zero-shot setting. The results indicate that current methods struggle under this challenging and realistic mixed-source MMD setting. Additionally, we propose MMD-Agent, a novel approach to integrate the reasoning, action, and tool-use capabilities of LVLM agents, significantly enhancing accuracy and generalization. We believe this study will catalyze future research into more realistic mixed-source multimodal misinformation and provide a fair evaluation of misinformation detection methods.