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Probabilistic Methods · Graphical Models

Anji Liu, Kareem Ahmed, Guy Van den Broeck

Probabilistic Circuits (PCs) are a general framework for tractable deep generative models, which support exact and efficient probabilistic inference on their learned distributions. Recent modeling and training advancements have enabled their application to complex real-world tasks. However, the time and memory inefficiency of existing PC implementations hinders further scaling up. This paper proposes PyJuice, a general GPU implementation design for PCs that improves prior art in several regards. Specifically, PyJuice is 1-2 orders of magnitude faster than existing systems (including very recent ones) at training large-scale PCs. Moreover, PyJuice consumes 2-5x less GPU memory, which enables us to train larger models. At the core of our system is a compilation process that converts a PC into a compact representation amenable to efficient block-based parallelization, which significantly reduces IO and makes it possible to leverage Tensor Cores available in modern GPUs. Empirically, PyJuice can be used to improve state-of-the-art PCs trained on image (e.g., ImageNet32) and language (e.g., WikiText, CommonGen) datasets. We further establish a new set of baselines on natural image and language datasets by benchmarking existing PC structures but with much larger sizes and more training epochs, with the hope of incentivizing future research. Code is available at https://github.com/Tractables/pyjuice.

Deep Learning · Algorithms

Weichen Lin, Jiaxiang Chen, Ruomin Huang, Hu Ding

Continual learning (CL) is a fundamental topic in machine learning, where the goal is to train a model with continuously incoming data and tasks. Due to the memory limit, we cannot store all the historical data, and therefore confront the ``catastrophic forgetting'' problem, i.e., the performance on the previous tasks can substantially decrease because of the missing information in the latter period. Though a number of elegant methods have been proposed, the catastrophic forgetting phenomenon still cannot be well avoided in practice. In this paper, we study the problem from the gradient perspective, where our aim is to develop an effective algorithm to calibrate the gradient in each updating step of the model; namely, our goal is to guide the model to be updated in the right direction under the situation that a large amount of historical data are unavailable. Our idea is partly inspired by the seminal stochastic variance reduction methods (e.g., SVRG and SAGA) for reducing the variance of gradient estimation in stochastic gradient descent algorithms. Another benefit is that our approach can be used as a general tool, which is able to be incorporated with several existing popular CL methods to achieve better performance. We also conduct a set of experiments on several benchmark datasets to evaluate the performance in practice.

Deep Learning · Algorithms

Jianqing Liang, Min Chen, Jiye Liang

The Transformer architecture has recently gained considerable attention in the field of graph representation learning, as it naturally overcomes several limitations of Graph Neural Networks (GNNs) with customized attention mechanisms or positional and structural encodings. Despite making some progress, existing works tend to overlook external information of graphs, specifically the correlation between graphs. Intuitively, graphs with similar structures should have similar representations. Therefore, we propose Graph External Attention (GEA) --- a novel attention mechanism that leverages multiple external node/edge key-value units to capture inter-graph correlations implicitly. On this basis, we design an effective architecture called Graph External Attention Enhanced Transformer (GEAET), which integrates local structure and global interaction information for more comprehensive graph representations. Extensive experiments on benchmark datasets demonstrate that GEAET achieves state-of-the-art empirical performance. The source code is available for reproducibility at: https://github.com/icm1018/GEAET.

Miscellaneous Aspects of Machine Learning · Causality

Baohong Li, Anpeng Wu, Ruoxuan Xiong, Kun Kuang

Latent confounding bias and collider bias are two key challenges of causal inference in observational studies. Latent confounding bias occurs when failing to control the unmeasured covariates that are common causes of treatments and outcomes, which can be addressed by using the Instrumental Variable (IV) approach. Collider bias comes from non-random sample selection caused by both treatments and outcomes, which can be addressed by using a different type of instruments, i.e., shadow variables. However, in most scenarios, these two biases simultaneously exist in observational data, and the previous methods focusing on either one are inadequate. To the best of our knowledge, no approach has been developed for causal inference when both biases exist. In this paper, we propose a novel IV approach, Two-Stage Shadow Inclusion (2SSI), which can simultaneously address latent confounding bias and collider bias by utilizing the residual of the treatment as a shadow variable. Extensive experimental results on benchmark synthetic datasets and a real-world dataset show that 2SSI achieves noticeable performance improvement when both biases exist compared to existing methods.

Social Aspects · Trustworthy Machine Learning

Lin Li, Yifei Wang, Chawin Sitawarin, Michael Spratling

Existing works have made great progress in improving adversarial robustness, but typically test their method only on data from the same distribution as the training data, i.e. in-distribution (ID) testing. As a result, it is unclear how such robustness generalizes under input distribution shifts, i.e. out-of-distribution (OOD) testing. This omission is concerning as such distribution shifts are unavoidable when methods are deployed in the wild. To address this issue we propose a benchmark named OODRobustBench to comprehensively assess OOD adversarial robustness using 23 dataset-wise shifts (i.e. naturalistic shifts in input distribution) and 6 threat-wise shifts (i.e., unforeseen adversarial threat models). OODRobustBench is used to assess 706 robust models using 60.7K adversarial evaluations. This large-scale analysis shows that: 1) adversarial robustness suffers from a severe OOD generalization issue; 2) ID robustness correlates strongly with OOD robustness in a positive linear way. The latter enables the prediction of OOD robustness from ID robustness. We then predict and verify that existing methods are unlikely to achieve high OOD robustness. Novel methods are therefore required to achieve OOD robustness beyond our prediction. To facilitate the development of these methods, we investigate a wide range of techniques and identify several promising directions. Code and models are available at: https://github.com/OODRobustBench/OODRobustBench.

Miscellaneous Aspects of Machine Learning · Unsupervised and Semi-supervised Learning

Yunfan Li, Peng Hu, Dezhong Peng, Jiancheng Lv, Jianping Fan, Xi Peng

The core of clustering lies in incorporating prior knowledge to construct supervision signals. From classic k-means based on data compactness to recent contrastive clustering guided by self-supervision, the evolution of clustering methods intrinsically corresponds to the progression of supervision signals. At present, substantial efforts have been devoted to mining internal supervision signals from data. Nevertheless, the abundant external knowledge such as semantic descriptions, which naturally conduces to clustering, is regrettably overlooked. In this work, we propose leveraging external knowledge as a new supervision signal to guide clustering. To implement and validate our idea, we design an externally guided clustering method (Text-Aided Clustering, TAC), which leverages the textual semantics of WordNet to facilitate image clustering. Specifically, TAC first selects and retrieves WordNet nouns that best distinguish images to enhance the feature discriminability. Then, TAC collaborates text and image modalities by mutually distilling cross-modal neighborhood information. Experiments demonstrate that TAC achieves state-of-the-art performance on five widely used and three more challenging image clustering benchmarks, including the full ImageNet-1K dataset. The code can be accessed at https://github.com/XLearning-SCU/2024-ICML-TAC.

Deep Learning · Generative Models and Autoencoders

yuxin li, Yaoxuan Feng, Bo Chen, Wenchao Chen, Yubiao Wang, Xinyue Hu, baolin sun, QuChunhui, Mingyuan Zhou

Multi-class unsupervised anomaly detection aims to create a unified model for identifying anomalies in objects from multiple classes when only normal data is available. In such a challenging setting, widely used reconstruction-based networks persistently grapple with the "identical shortcut" problem, wherein the infiltration of abnormal information from the condition biases the output towards an anomalous distribution. In response to this critical challenge, we introduce a Vague Prototype-Oriented Diffusion Model (VPDM) that extracts only fundamental information from the condition to prevent the occurrence of the "identical shortcut" problem from the input layer. This model leverages prototypes that contain only vague information about the target as the initial condition. Subsequently, a novel conditional diffusion model is introduced to incrementally enhance details based on vague conditions. Finally, a Vague Prototype-Oriented Optimal Transport (VPOT) method is proposed to provide more accurate information about conditions. All these components are seamlessly integrated into a unified optimization objective. The effectiveness of our approach is demonstrated across diverse datasets, including the MVTec, VisA, and MPDD benchmarks, achieving state-of-the-art results.

Deep Learning · Large Language Models

JoonHo Lee, Jae Oh Woo, Juree Seok, Parisa Hassanzadeh, Wooseok Jang, JuYoun Son, Sima Didari, Baruch Gutow, Heng Hao, Hankyu Moon 等

Assessing response quality to instructions in language models is vital but challenging due to the complexity of human language across different contexts. This complexity often results in ambiguous or inconsistent interpretations, making accurate assessment difficult. To address this issue, we propose a novel Uncertainty-aware Reward Model (URM) that introduces a robust uncertainty estimation for the quality of paired responses based on Bayesian approximation. Trained with preference datasets, our uncertainty-enabled proxy not only scores rewards for responses but also evaluates their inherent uncertainty. Empirical results demonstrate significant benefits of incorporating the proposed proxy into language model training. Our method boosts the instruction following capability of language models by refining data curation for training and improving policy optimization objectives, thereby surpassing existing methods by a large margin on benchmarks such as Vicuna and MT-bench. These findings highlight that our proposed approach substantially advances language model training and paves a new way of harnessing uncertainty within language models.

Applications · Computer Vision

Nahyuk Lee, Juhong Min, Junha Lee, Seungwook Kim, Kanghee Lee, Jaesik Park, Minsu Cho

Learning to assemble geometric shapes into a larger target structure is a pivotal task in various practical applications. In this work, we tackle this problem by establishing local correspondences between point clouds of part shapes in both coarse- and fine-levels. To this end, we introduce Proxy Match Transform (PMT), an approximate high-order feature transform layer that enables reliable matching between mating surfaces of parts while incurring low costs in memory and compute. Building upon PMT, we introduce a new framework, dubbed Proxy Match TransformeR (PMTR), for the geometric assembly task. We evaluate the proposed PMTR on the large-scale 3D geometric shape assembly benchmark dataset of Breaking Bad and demonstrate its superior performance and efficiency compared to state-of-the-art methods. Project page: https://nahyuklee.github.io/pmtr

Deep Learning · Generative Models and Autoencoders

Juyeon Ko, Inho Kong, Dogyun Park, Hyunwoo Kim

Semantic image synthesis (SIS) is a task to generate realistic images corresponding to semantic maps (labels). However, in real-world applications, SIS often encounters noisy user inputs. To address this, we propose Stochastic Conditional Diffusion Model (SCDM), which is a robust conditional diffusion model that features novel forward and generation processes tailored for SIS with noisy labels. It enhances robustness by stochastically perturbing the semantic label maps through Label Diffusion, which diffuses the labels with discrete diffusion. Through the diffusion of labels, the noisy and clean semantic maps become similar as the timestep increases, eventually becoming identical at $t=T$. This facilitates the generation of an image close to a clean image, enabling robust generation. Furthermore, we propose a class-wise noise schedule to differentially diffuse the labels depending on the class. We demonstrate that the proposed method generates high-quality samples through extensive experiments and analyses on benchmark datasets, including a novel experimental setup simulating human errors during real-world applications. Code is available at https://github.com/mlvlab/SCDM.

Theory · Domain Adaptation and Transfer Learning

Doyoung Kim, Susik Yoon, Dongmin Park, Youngjun Lee, Hwanjun Song, Jihwan Bang, Jae-Gil Lee

In real-world continual learning (CL) scenarios, tasks often exhibit intricate and unpredictable semantic shifts, posing challenges for *fixed* prompt management strategies which are tailored to only handle semantic shifts of *uniform* degree (i.e., uniformly mild or uniformly abrupt). To address this limitation, we propose an *adaptive* prompting approach that effectively accommodates semantic shifts of *varying* degree where mild and abrupt shifts are mixed. AdaPromptCL employs the assign-and-refine semantic grouping mechanism that dynamically manages prompt groups in accordance with the semantic similarity between tasks, enhancing the quality of grouping through continuous refinement. Our experiment results demonstrate that AdaPromptCL outperforms existing prompting methods by up to 21.3%, especially in the benchmark datasets with diverse semantic shifts between tasks.

Optimization · Large Scale, Parallel and Distributed

Heasung Kim, Hyeji Kim, Gustavo De Veciana

Clustered Federated Learning (CFL) is a promising distributed learning framework that addresses data heterogeneity issues across multiple clients by grouping clients and providing a shared generalized model for each group. However, under privacy-preserving federated learning protocols where there is no direct sharing of clients' local datasets, existing approaches often fail to find optimal client groupings resulting in sub-optimal performance. In this paper, we propose a novel CFL algorithm that achieves robust clustering and learning performance. Conceptually, our algorithm groups clients that exhibit similarity in their model updates by periodically accumulating and clustering the gradients that clients compute for various models. The proposed algorithm is shown to achieve a near-optimal error rate for stochastic convergence to optimal models under mild conditions. We present a detailed analysis of the algorithm along with an evaluation on several CFL benchmarks demonstrating that it outperforms existing approaches in terms of convergence speed, clustering accuracy, and task performance.

Deep Learning · Robustness

Nayeong Kim, Juwon Kang, Sungsoo Ahn, Jungseul Ok, Suha Kwak

We study the problem of training an unbiased and accurate model given a dataset with multiple biases. This problem is challenging since the multiple biases cause multiple undesirable shortcuts during training, and even worse, mitigating one may exacerbate the other. We propose a novel training method to tackle this challenge. Our method first groups training data so that different groups induce different shortcuts, and then optimizes a linear combination of group-wise losses while adjusting their weights dynamically to alleviate conflicts between the groups in performance; this approach, rooted in the multi-objective optimization theory, encourages to achieve the minimax Pareto solution. We also present a new benchmark with multiple biases, dubbed MultiCelebA, for evaluating debiased training methods under realistic and challenging scenarios. Our method achieved the best on three datasets with multiple biases, and also showed superior performance on conventional single-bias datasets.

Mintong Kang, Zhen Lin, Jimeng Sun, Cao Xiao, Bo Li

Conformal prediction has shown impressive capacity in constructing statistically rigorous prediction sets for machine learning models with exchangeable data samples. The siloed datasets, coupled with the escalating privacy concerns related to local data sharing, have inspired recent innovations extending conformal prediction into federated environments with distributed data samples. However, this framework for distributed uncertainty quantification is susceptible to Byzantine failures. A minor subset of malicious clients can significantly compromise the practicality of coverage guarantees. To address this vulnerability, we introduce a novel framework Rob-FCP, which executes robust federated conformal prediction, effectively countering malicious clients capable of reporting arbitrary statistics with the conformal calibration process. We theoretically provide the conformal coverage bound of Rob-FCP in the Byzantine setting and show that the coverage of Rob-FCP is asymptotically close to the desired coverage level. We also propose a malicious client number estimator to tackle a more challenging setting where the number of malicious clients is unknown to the defender and theoretically shows its effectiveness. We empirically demonstrate the robustness of Rob-FCP against diverse proportions of malicious clients under a variety of Byzantine attacks on five standard benchmark and real-world healthcare datasets.

Deep Learning · Robustness

Tarun Kalluri, Bodhisattwa Prasad Majumder, Manmohan Chandraker

We introduce LaGTran, a novel framework that utilizes text supervision to guide robust transfer of discriminative knowledge from labeled source to unlabeled target data with domain gaps. While unsupervised adaptation methods have been established to address this problem, they show limitations in handling challenging domain shifts due to their exclusive operation within the pixel-space. Motivated by our observation that semantically richer text modality has more favorable transfer properties, we devise a transfer mechanism to use a source-trained text-classifier to generate predictions on the target text descriptions, and utilize these predictions as supervision for the corresponding images. Our approach driven by language guidance is surprisingly easy and simple, yet significantly outperforms all prior approaches on challenging datasets like GeoNet and DomainNet, validating its extreme effectiveness. To further extend the scope of our study beyond images, we introduce a new benchmark called Ego2Exo to study ego-exo transfer in videos and find that our language-aided approach LaGTran yields significant gains in this highly challenging and non-trivial transfer setting. Code, models, and proposed datasets are publicly available at https://tarun005.github.io/lagtran/.

Deep Learning · Robustness

Mikkel Jordahn, Pablo Olmos

Deep Neural Networks (DNN) have shown great promise in many classification applications, yet are widely known to have poorly calibrated predictions when they are over-parametrized. Improving DNN calibration without comprising on model accuracy is of extreme importance and interest in safety critical applications such as in the health-care sector. In this work, we show that decoupling the training of feature extraction layers and classification layers in over-parametrized DNN architectures such as Wide Residual Networks (WRN) and Vision Transformers (ViT) significantly improves model calibration whilst retaining accuracy, and at a low training cost. In addition, we show that placing a Gaussian prior on the last hidden layer outputs of a DNN, and training the model variationally in the classification training stage, even further improves calibration. We illustrate these methods improve calibration across ViT and WRN architectures for several image classification benchmark datasets.

Deep Learning · Graph Neural Networks

Emily Jin, Michael Bronstein, Ismail Ceylan, Matthias Lanzinger

A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain *patterns* (e.g., cycles) in a graph lies at the heart of such limitations, since many functions to be learned rely on the ability of counting such patterns. Two prominent paradigms aim to address this limitation by enriching the graph features with *subgraph* or *homomorphism* pattern counts. In this work, we show that both of these approaches are sub-optimal in a certain sense and argue for a more *fine-grained* approach, which incorporates the homomorphism counts of *all* structures in the ``basis'' of the target pattern. This yields strictly more expressive architectures without incurring any additional overhead in terms of computational complexity compared to existing approaches. We prove a series of theoretical results on node-level and graph-level *motif parameters* and empirically validate them on standard benchmark datasets.

Deep Learning · Large Language Models

Qian Huang, Jian Vora, Percy Liang, Jure Leskovec

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination.

Deep Learning · Large Language Models

Xueyu Hu, Ziyu Zhao, Shuang Wei, Ziwei Chai, Qianli Ma, Guoyin Wang, Xuwu Wang, Jing Su, Jingjing Xu, Ming Zhu 等

In this paper, we introduce InfiAgent-DABench, the first benchmark specifically designed to evaluate LLM-based agents on data analysis tasks. Agents need to solve these tasks end-to-end by interacting with an execution environment. This benchmark contains DAEval, a dataset consisting of 603 data analysis questions derived from 124 CSV files, and an agent framework which incorporates LLMs to serve as data analysis agents for both serving and evaluating. Since data analysis questions are often open-ended and hard to evaluate without human supervision, we adopt a format-prompting technique to convert each question into a closed-form format so that they can be automatically evaluated. Our extensive benchmarking of 34 LLMs uncovers the current challenges encountered in data analysis tasks. In addition, building upon our agent framework, we develop a specialized agent, DAAgent, which surpasses GPT-3.5 by 3.9% on DABench. Evaluation datasets and toolkits for InfiAgent-DABench are released at https://github.com/InfiAgent/InfiAgent.

Social Aspects · Trustworthy Machine Learning

Linshan Hou, Ruili Feng, Zhongyun Hua, Wei Luo, Leo Yu Zhang, Yiming Li

Deep neural networks (DNNs) are vulnerable to backdoor attacks, where adversaries can maliciously trigger model misclassifications by implanting a hidden backdoor during model training. This paper proposes a simple yet effective input-level backdoor detection (dubbed IBD-PSC) as a `firewall' to filter out malicious testing images. Our method is motivated by an intriguing phenomenon, i.e., parameter-oriented scaling consistency (PSC), where the prediction confidences of poisoned samples are significantly more consistent than those of benign ones when amplifying model parameters. In particular, we provide theoretical analysis to safeguard the foundations of the PSC phenomenon. We also design an adaptive method to select BN layers to scale up for effective detection. Extensive experiments are conducted on benchmark datasets, verifying the effectiveness and efficiency of our IBD-PSC method and its resistance to adaptive attacks. Codes are available at https://github.com/THUYimingLi/BackdoorBox.