论文检索

Social Aspects · Trustworthy Machine Learning

Shuoyuan Wang, Jindong Wang, Guoqing Wang, Bob Zhang, Kaiyang Zhou, Hongxin Wei

Vision-language models (VLMs) have emerged as formidable tools, showing their strong capability in handling various open-vocabulary tasks in image recognition, text-driven visual content generation, and visual chatbots, to name a few. In recent years, considerable efforts and resources have been devoted to adaptation methods for improving downstream performance of VLMs, particularly on parameter-efficient fine-tuning methods like prompt learning. However, a crucial aspect that has been largely overlooked is the confidence calibration problem in fine-tuned VLMs, which could greatly reduce reliability when deploying such models in the real world. This paper bridges the gap by systematically investigating the confidence calibration problem in the context of prompt learning and reveals that existing calibration methods are insufficient to address the problem, especially in the open-vocabulary setting. To solve the problem, we present a simple and effective approach called Distance-Aware Calibration (DAC), which is based on scaling the temperature using as guidance the distance between predicted text labels and base classes. The experiments with 7 distinct prompt learning methods applied across 11 diverse downstream datasets demonstrate the effectiveness of DAC, which achieves high efficacy without sacrificing the inference speed.

Haixiao Wang, Zhichao Wang

We delve into the challenge of semi-supervised node classification on the Contextual Stochastic Block Model (CSBM) dataset. Here, nodes from the two-cluster Stochastic Block Model (SBM) are coupled with feature vectors, which are derived from a Gaussian Mixture Model (GMM) that corresponds to their respective node labels. With only a subset of the CSBM node labels accessible for training, our primary objective becomes the accurate classification of the remaining nodes. Venturing into the transductive learning landscape, we, for the first time, pinpoint the information-theoretical threshold for the exact recovery of all test nodes in CSBM. Concurrently, we design an optimal spectral estimator inspired by Principal Component Analysis (PCA) with the training labels and essential data from both the adjacency matrix and feature vectors. We also evaluate the efficacy of graph ridge regression and Graph Convolutional Networks (GCN) on this synthetic dataset. Our findings underscore that graph ridge regression and GCN possess the ability to achieve the information threshold of exact recovery in a manner akin to the optimal estimator when using the optimal weighted self-loops. This highlights the potential role of feature learning in augmenting the proficiency of GCN, especially in the realm of semi-supervised learning.

Yi Wang, Zhiren Wang

We examine both the manifold hypothesis (Bengio et al., 2013) and the union of manifold hypothesis (Brown et al., 2023), and argue that, in contrast to these hypotheses, the local intrinsic dimension varies from point to point even in the same connected component. We propose an alternative CW complex hypothesis that image data is distributed in ``manifolds with skeletons". We support the hypothesis through visualization of distributions of image data of random geometric objects, as well as by introducing and testing a criterion on natural image datasets. One motivation of our work is to explain why diffusion models have difficulty generating accurate higher dimensional details such as human hands. Under the CW complex hypothesis and with both theoretical and empirical evidences, we provide an interpretation that the mixture of higher and lower dimensional components in data obstructs diffusion models from efficient learning.

Wang Peng, Li Shen, Zerui Tao, Shuaida He, Dacheng Tao

Stochastic weight averaging (SWA) method has empirically proven its advantages compared to stochastic gradient descent (SGD). Despite it is widespread used, theoretical investigations have been limited, particularly in scenarios beyond the ideal setting of convex and sampling with replacement. However, non-convex cases and sampling without replacement are very practical in real-world applications. The main challenges under the above settings are two-folds: (i) All the historical gradient information introduced by SWA is considered, while the analysis of SGD using the tool of uniform stability requires only to bound the current gradient. (ii) The $(1+\alpha\beta)$-expansion property causes the boundary of each gradient step dependent on the previous step, making the boundary of each historical gradient in SWA nested and the theoretical analysis even harder. To address the theoretical challenges, we adopt mathematical induction to find a recursive representation that bounds the gradient at each step. Based on this, we establish stability bounds supporting sampling with and without replacement in the non-convex setting. Furthermore, the derived generalization bounds of SWA are sharper than SGD. At last, experimental results on several benchmarks verify our theoretical results.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Caixing Wang, Ziliang Shen

In this paper, we focus on distributed estimation and support recovery for high-dimensional linear quantile regression. Quantile regression is a popular alternative tool to the least squares regression for robustness against outliers and data heterogeneity. However, the non-smoothness of the check loss function poses big challenges to both computation and theory in the distributed setting. To tackle these problems, we transform the original quantile regression into the least-squares optimization. By applying a double-smoothing approach, we extend a previous Newton-type distributed approach without the restrictive independent assumption between the error term and covariates. An efficient algorithm is developed, which enjoys high computation and communication efficiency. Theoretically, the proposed distributed estimator achieves a near-oracle convergence rate and high support recovery accuracy after a constant number of iterations. Extensive experiments on synthetic examples and a real data application further demonstrate the effectiveness of the proposed method.

Zhenting Wang, Vikash Sehwag, Chen Chen, Lingjuan Lyu, Dimitris Metaxas, Shiqing Ma

Latent generative models (e.g., Stable Diffusion) have become more and more popular, but concerns have arisen regarding potential misuse related to images generated by these models. It is, therefore, necessary to analyze the origin of images by inferring if a particular image was generated by a specific latent generative model. Most existing methods (e.g., image watermark and model fingerprinting) require extra steps during training or generation. These requirements restrict their usage on the generated images without such extra operations, and the extra required operations might compromise the quality of the generated images. In this work, we ask whether it is possible to effectively and efficiently trace the images generated by a specific latent generative model without the aforementioned requirements. To study this problem, we design a latent inversion based method called LatentTracer to trace the generated images of the inspected model by checking if the examined images can be well-reconstructed with an inverted latent input. We leverage gradient based latent inversion and identify a encoder-based initialization critical to the success of our approach. Our experiments on the state-of-the-art latent generative models, such as Stable Diffusion, show that our method can distinguish the images generated by the inspected model and other images with a high accuracy and efficiency. Our findings suggest the intriguing possibility that today's latent generative generated images are naturally watermarked by the decoder used in the source models. Code: https://github.com/ZhentingWang/LatentTracer.

Deep Learning · Generative Models and Autoencoders

chentong wang, Yannan Qu, Zhangzhi Peng, Yukai Wang, Hongli Zhu, dachuan chen, Longxing Cao

Diffusion-based generative models have been successfully employed to create proteins with novel structures and functions. However, the construction of such models typically depends on large, pre-trained structure prediction networks, like RFdiffusion. In contrast, alternative models that are trained from scratch, such as FrameDiff, still fall short in performance. In this context, we introduce Proteus, an innovative deep diffusion network that incorporates graph-based triangle methods and a multi-track interaction network, eliminating the dependency on structure prediction pre-training with superior efficiency. We have validated our model's performance on de novo protein backbone generation through comprehensive in silico evaluations and experimental characterizations, which demonstrate a remarkable success rate. These promising results underscore Proteus's ability to generate highly designable protein backbones efficiently. This capability, achieved without reliance on pre-training techniques, has the potential to significantly advance the field of protein design.

Boyuan Wang, Yun Qu, Yuhang Jiang, Jianzhun Shao, Chang Liu, Wenming Yang, Xiangyang Ji

Conventional state representations in reinforcement learning often omit critical task-related details, presenting a significant challenge for value networks in establishing accurate mappings from states to task rewards. Traditional methods typically depend on extensive sample learning to enrich state representations with task-specific information, which leads to low sample efficiency and high time costs. Recently, surging knowledgeable large language models (LLM) have provided promising substitutes for prior injection with minimal human intervention. Motivated by this, we propose LLM-Empowered State Representation (LESR), a novel approach that utilizes LLM to autonomously generate task-related state representation codes which help to enhance the continuity of network mappings and facilitate efficient training. Experimental results demonstrate LESR exhibits high sample efficiency and outperforms state-of-the-art baselines by an average of **29%** in accumulated reward in Mujoco tasks and **30%** in success rates in Gym-Robotics tasks. Codes of LESR are accessible at https://github.com/thu-rllab/LESR.

Miscellaneous Aspects of Machine Learning · Online Learning, Active Learning and Bandits

Zhou Wang, Xingye Qiao

Conformal prediction is a distribution-free method that wraps a given machine learning model and returns a set of plausible labels that contain the true label with a prescribed coverage rate. In practice, the empirical coverage achieved highly relies on fully observed label information from data both in the training phase for model fitting and the calibration phase for quantile estimation. This dependency poses a challenge in the context of online learning with bandit feedback, where a learner only has access to the correctness of actions (i.e., pulled an arm) but not the full information of the true label. In particular, when the pulled arm is incorrect, the learner only knows that the pulled one is not the true class label, but does not know which label is true. Additionally, bandit feedback further results in a smaller labeled dataset for calibration, limited to instances with correct actions, thereby affecting the accuracy of quantile estimation. To address these limitations, we propose Bandit Class-specific Conformal Prediction (BCCP), offering coverage guarantees on a class-specific granularity. Using an unbiased estimation of an estimand involving the true label, BCCP trains the model and makes set-valued inferences through stochastic gradient descent. Our approach overcomes the challenges of sparsely labeled data in each iteration and generalizes the reliability and applicability of conformal prediction to online decision-making environments.

Theory · Learning Theory

Jiayi Wang, Zhengling Qi, Raymond K. W. Wong

In this paper, we delve into the statistical analysis of the fitted Q-evaluation (FQE) method, which focuses on estimating the value of a target policy using offline data generated by some behavior policy. We provide a comprehensive theoretical understanding of FQE estimators under both parametric and non-parametric models on the Q-function. Specifically, we address three key questions related to FQE that remain largely unexplored in the current literature: (1) Is the optimal convergence rate for estimating the policy value regarding the sample size $n$ ($n^{−1/2}$) achievable for FQE under a nonparametric model with a fixed horizon ($T$ )? (2) How does the error bound depend on the horizon T ? (3) What is the role of the probability ratio function in improving the convergence of FQE estimators? Specifically, we show that under the completeness assumption of Q-functions, which is mild in the non-parametric setting, the estimation errors for policy value using both parametric and non-parametric FQE estimators can achieve an optimal rate in terms of n. The corresponding error bounds in terms of both $n$ and $T$ are also established. With an additional realizability assumption on ratio functions, the rate of estimation errors can be improved from $T^{ 1.5}/\sqrt{n}$ to $T /\sqrt{n}$, which matches the sharpest known bound in the current literature under the tabular setting.

Deep Learning · Large Language Models

Boxin Wang, Wei Ping, Lawrence McAfee, Peng Xu, Bo Li, Mohammad Shoeybi, Bryan Catanzaro

Pretraining auto-regressive large language models (LLMs) with retrieval demonstrates better perplexity and factual accuracy by leveraging external databases. However, the size of existing pretrained retrieval-augmented LLM is still limited (e.g., Retro has 7.5B parameters), which limits the effectiveness of instruction tuning and zero-shot generalization. In this work, we introduce Retro 48B, the largest LLM pretrained with retrieval. Specifically, we continue to pretrain a 43B GPT model on additional 100 billion tokens using the Retro augmentation method by retrieving from 1.2 trillion tokens. Notably, the obtained foundation model, Retro 48B, largely outperforms the counterpart GPT 43B trained on 1.2T tokens in terms of perplexity with only 2.58% additional GPU hours, demonstrating the significant scaling potential of the method. After instruction tuning on Retro, InstructRetro demonstrates significant improvement over the instruction-tuned GPT on a wide range of zero-shot tasks. Specifically, the average improvement of InstructRetro is 7% over its GPT counterpart across 8 short-form QA and reading comprehension tasks, 10% over GPT across 4 challenging long-form QA tasks, and 16% over GPT across 3 summarization tasks. Surprisingly, we find that one can ablate the encoder from InstructRetro architecture and directly use its decoder backbone, while achieving comparable results. Our results highlight the promising direction to obtain a better GPT decoder through continued pretraining with retrieval before instruction tuning. Our code and checkpoints are publicly available at: https://huggingface.co/nvidia/retro-48b-instruct-4k.

Theory · Optimization

Yafei Wang, Bo Pan, Mei Li, Jianya Lu, Lingchen Kong, Bei Jiang, Linglong Kong

Conditional Stochastic Optimization (CSO) is a powerful modelling paradigm for optimization under uncertainty. The existing literature on CSO is mainly based on the independence assumption of data, which shows that the solution of CSO is asymptotically consistent and enjoys a finite sample guarantee. The independence assumption, however, does not typically hold in many important applications with dependence patterns, such as time series analysis, operational control, and reinforcement learning. In this paper, we aim to fill this gap and consider a Sample Average Approximation (SAA) for CSO with dependent data. Leveraging covariance inequalities and independent block sampling technique, we provide theoretical guarantees of SAA for CSO with dependent data. In particular, we show that SAA for CSO retains asymptotic consistency and a finite sample guarantee under mild conditions. In addition, we establish the sample complexity $O(d / \varepsilon^4)$ of SAA for CSO, which is shown to be of the same order as independent cases. Through experiments on several applications, we verify the theoretical results and demonstrate that dependence does not degrade the performance of the SAA approach in real data applications.

Miscellaneous Aspects of Machine Learning · Supervised Learning

Ke Wang, Guillermo Ortiz-Jimenez, Rodolphe Jenatton, Mark Collier, Efi Kokiopoulou, Pascal Frossard

Label noise is a pervasive problem in deep learning that often compromises the generalization performance of trained models. Recently, leveraging privileged information (PI) -- information available only during training but not at test time -- has emerged as an effective approach to mitigate this issue. Yet, existing PI-based methods have failed to consistently outperform their no-PI counterparts in terms of preventing overfitting to label noise. To address this deficiency, we introduce Pi-DUAL, an architecture designed to harness PI to distinguish clean from wrong labels. Pi-DUAL decomposes the output logits into a prediction term, based on conventional input features, and a noise-fitting term influenced solely by PI. A gating mechanism steered by PI adaptively shifts focus between these terms, allowing the model to implicitly separate the learning paths of clean and wrong labels. Empirically, Pi-DUAL achieves significant performance improvements on key PI benchmarks (e.g., +6.8% on ImageNet-PI), establishing a new state-of-the-art test set accuracy. Additionally, Pi-DUAL is a potent method for identifying noisy samples post-training, outperforming other strong methods at this task. Overall, Pi-DUAL is a simple, scalable and practical approach for mitigating the effects of label noise in a variety of real-world scenarios with PI.

Deep Learning · Large Language Models

Zhiruo Wang, Graham Neubig, Daniel Fried

Language models (LMs) can solve tasks such as answering questions about tables or images by writing programs. However, using primitive functions often leads to verbose and error-prone programs, and higher-level functions require expert design. To enable better solutions without human labor, we ask code LMs to curate reusable high-level functions, and use them to write solutions. We present TROVE, a training-free method of inducing a verifiable and efficient toolbox of functions, by generating via using, growing, and periodically trimming the toolbox. On 11 datasets from math, table question answering, and image reasoning tasks, TROVE consistently yields simpler solutions with higher accuracy than baselines using CodeLLaMa and previous methods using GPT, while using 79-98% smaller toolboxes. TROVE further enables 31% faster and 13% more accurate human verification than baselines. With the same pipeline, it creates diverse functions for varied tasks and datasets, providing insights into their individual characteristics.

Zihao Wang, Chirag Nagpal, Jonathan Berant, Jacob Eisenstein, Alexander D'Amour, Sanmi Koyejo, Victor Veitch

A common approach for aligning language models to human preferences is to first learn a reward model from preference data, and then use this reward model to update the language model. We study two closely related problems that arise in this approach. First, any monotone transformation of the reward model preserves preference ranking; is there a choice that is "better" than others? Second, we often wish to align language models to multiple properties: how should we combine multiple reward models? Using a probabilistic interpretation of the alignment procedure, we identify a natural choice for transformation for (the common case of) rewards learned from Bradley-Terry preference models. The derived transformation is straightforward: we apply a log-sigmoid function to the centered rewards, a method we term "LSC-transformation" (log-sigmoid-centered transformation). This transformation has two important properties. First, it emphasizes improving poorly-performing outputs, rather than outputs that already score well. This mitigates both underfitting (where some prompts are not improved) and reward hacking (where the model learns to exploit misspecification of the reward model). Second, it enables principled aggregation of rewards by linking summation to logical conjunction: the sum of transformed rewards corresponds to the probability that the output is "good" in all measured properties, in a sense we make precise. Experiments aligning language models to be both helpful and harmless using RLHF show substantial improvements over the baseline (non-transformed) approach.

Miscellaneous Aspects of Machine Learning · Causality

Xin Wang, Shengfei Lyu, Lishan Yang, Yibing Zhan, Huanhuan Chen

Efficiently and effectively estimating counterfactuals over time is crucial for optimizing treatment strategies. We present the Adversarial Counterfactual Temporal Inference Network (ACTIN), a novel framework with dual modules to enhance counterfactual estimation. The balancing module employs a distribution-based adversarial method to learn balanced representations, extending beyond the limitations of current classification-based methods to mitigate confounding bias across various treatment types. The integrating module adopts a novel Temporal Integration Predicting (TIP) strategy, which has a wider receptive field of treatments and balanced representations from the beginning to the current time for a more profound level of analysis. TIP goes beyond the established Direct Predicting (DP) strategy, which only relies on current treatments and representations, by empowering the integrating module to effectively capture long-range dependencies and temporal treatment interactions. ACTIN exceeds the confines of specific base models, and when implemented with simple base models, consistently delivers state-of-the-art performance and efficiency across both synthetic and real-world datasets.

Reinforcement Learning

Shengjie Wang, Shaohuai Liu, Weirui Ye, Jiacheng You, Yang Gao

Sample efficiency remains a crucial challenge in applying Reinforcement Learning (RL) to real-world tasks. While recent algorithms have made significant strides in improving sample efficiency, none have achieved consistently superior performance across diverse domains. In this paper, we introduce EfficientZero V2, a general framework designed for sample-efficient RL algorithms. We have expanded the performance of EfficientZero to multiple domains, encompassing both continuous and discrete actions, as well as visual and low-dimensional inputs. With a series of improvements we propose, EfficientZero V2 outperforms the current state-of-the-art (SoTA) by a significant margin in diverse tasks under the limited data setting. EfficientZero V2 exhibits a notable advancement over the prevailing general algorithm, DreamerV3, achieving superior outcomes in 50 of 66 evaluated tasks across multiple benchmarks, including Atari 100k, Proprio Control, and Vision Control.

Theory · Domain Adaptation and Transfer Learning

Xiyu Wang, Baijiong Lin, Daochang Liu, YINGCONG CHEN, Chang Xu

Diffusion Probabilistic Models (DPMs) show significant potential in image generation, yet their performance hinges on having access to large datasets. Previous works, like Generative Adversarial Networks (GANs), have tackled the limited data problem by transferring pre-trained models learned with sufficient data. However, those methods are hard to be utilized in DPMs since the distinct differences between DPM-based and GAN-based methods, showing in the unique iterative denoising process integral and the need for many timesteps with no-targeted noise in DPMs. In this paper, we propose a novel DPMs-based transfer learning method, ANT, to address the limited data problem. It includes two strategies: similarity-guided training, which boosts transfer with a classifier, and adversarial noise selection which adaptively chooses targeted noise based on the input image. Extensive experiments in the context of few-shot image generation tasks demonstrate that our method is not only efficient but also excels in terms of image quality and diversity when compared to existing GAN-based and DDPM-based methods.

Zhengbo Wang, Jian Liang, Ran He, Zilei Wang, Tieniu Tan

With the emergence of pretrained vision-language models (VLMs), considerable efforts have been devoted to fine-tuning them for downstream tasks. Despite the progress made in designing efficient fine-tuning methods, such methods require access to the model's parameters, which can be challenging as model owners often opt to provide their models as a black box to safeguard model ownership. This paper proposes a **C**ollabo**ra**tive **F**ine-**T**uning (**CraFT**) approach for fine-tuning black-box VLMs to downstream tasks, where one only has access to the input prompts and the output predictions of the model. CraFT comprises two modules, a prompt generation module for learning text prompts and a prediction refinement module for enhancing output predictions in residual style. Additionally, we introduce an auxiliary prediction-consistent loss to promote consistent optimization across these modules. These modules are optimized by a novel collaborative training algorithm. Extensive experiments on few-shot classification over 15 datasets demonstrate the superiority of CraFT. The results show that CraFT achieves a decent gain of about 12% with 16-shot datasets and only 8,000 queries. Moreover, CraFT trains faster and uses only about 1/80 of the memory footprint for deployment, while sacrificing only 1.62% compared to the white-box method. Our code is publicly available at https://github.com/mrflogs/CraFT.

Reinforcement Learning · Multi-agent

Jianhong Wang, Yang Li, Yuan Zhang, Wei Pan, Samuel Kaski

Ad hoc teamwork poses a challenging problem, requiring the design of an agent to collaborate with teammates without prior coordination or joint training. Open ad hoc teamwork (OAHT) further complicates this challenge by considering environments with a changing number of teammates, referred to as open teams. One promising solution in practice to this problem is leveraging the generalizability of graph neural networks to handle an unrestricted number of agents with various agent-types, named graph-based policy learning (GPL). However, its joint Q-value representation over a coordination graph lacks convincing explanations. In this paper, we establish a new theory to understand the representation of the joint Q-value for OAHT and its learning paradigm, through the lens of cooperative game theory. Building on our theory, we propose a novel algorithm named CIAO, based on GPL's framework, with additional provable implementation tricks that can facilitate learning. The demos of experimental results are available on https://sites.google.com/view/ciao2024, and the code of experiments is published on https://github.com/hsvgbkhgbv/CIAO.