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Social Aspects/Fairness, Equity, Justice and Safety

Ziyi Yin, Muchao Ye, Tianrong Zhang, Tianyu Du, Jinguo Zhu, Han Liu, Jinghui Chen, Ting Wang, Fenglong Ma

Vision-Language (VL) pre-trained models have shown their superiority on many multimodal tasks. However, the adversarial robustness of such models has not been fully explored. Existing approaches mainly focus on exploring the adversarial robustness under the white-box setting, which is unrealistic. In this paper, we aim to investigate a new yet practical task to craft image and text perturbations using pre-trained VL models to attack black-box fine-tuned models on different downstream tasks. Towards this end, we propose VLATTACK to generate adversarial samples by fusing perturbations of images and texts from both single-modal and multi-modal levels. At the single-modal level, we propose a new block-wise similarity attack (BSA) strategy to learn image perturbations for disrupting universal representations. Besides, we adopt an existing text attack strategy to generate text perturbations independent of the image-modal attack. At the multi-modal level, we design a novel iterative cross-search attack (ICSA) method to update adversarial image-text pairs periodically, starting with the outputs from the single-modal level. We conduct extensive experiments to attack three widely-used VL pretrained models for six tasks on eight datasets. Experimental results show that the proposed VLATTACK framework achieves the highest attack success rates on all tasks compared with state-of-the-art baselines, which reveals a significant blind spot in the deployment of pre-trained VL models.

Deep Learning/Generative Models and Autoencoders

Ruihang Chu, Enze Xie, Shentong Mo, Zhenguo Li, Matthias Niessner, Chi-Wing Fu, Jiaya Jia

We introduce a new diffusion-based approach for shape completion on 3D range scans. Compared with prior deterministic and probabilistic methods, we strike a balance between realism, multi-modality, and high fidelity. We propose DiffComplete by casting shape completion as a generative task conditioned on the incomplete shape. Our key designs are two-fold. First, we devise a hierarchical feature aggregation mechanism to inject conditional features in a spatially-consistent manner. So, we can capture both local details and broader contexts of the conditional inputs to control the shape completion. Second, we propose an occupancy-aware fusion strategy in our model to enable the completion of multiple partial shapes and introduce higher flexibility on the input conditions. DiffComplete sets a new SOTA performance (e.g., 40% decrease on $l_1$ error) on two large-scale 3D shape completion benchmarks. Our completed shapes not only have a realistic outlook compared with the deterministic methods but also exhibit high similarity to the ground truths compared with the probabilistic alternatives. Further, DiffComplete has strong generalizability on objects of entirely unseen classes for both synthetic and real data, eliminating the need for model re-training in various applications.

Deep Learning/Algorithms

Lingfeng Yang, Yueze Wang, Xiang Li, Xinlong Wang, Jian Yang

Vision-Language Models (VLMs), such as CLIP, have demonstrated impressive zero-shot transfer capabilities in image-level visual perception. However, these models have shown limited performance in instance-level tasks that demand precise localization and recognition. Previous works have suggested that incorporating visual prompts, such as colorful boxes or circles, can improve the ability of models to recognize objects of interest. Nonetheless, compared to language prompting, visual prompting designs are rarely explored. Existing approaches, which employ coarse visual cues such as colorful boxes or circles, often result in sub-optimal performance due to the inclusion of irrelevant and noisy pixels. In this paper, we carefully study the visual prompting designs by exploring more fine-grained markings, such as segmentation masks and their variations. In addition, we introduce a new zero-shot framework that leverages pixel-level annotations acquired from a generalist segmentation model for fine-grained visual prompting. Consequently, our investigation reveals that a straightforward application of blur outside the target mask, referred to as the Blur Reverse Mask, exhibits exceptional effectiveness. This proposed prompting strategy leverages the precise mask annotations to reduce focus on weakly related regions while retaining spatial coherence between the target and the surrounding background. Our **F**ine-**G**rained **V**isual **P**rompting (**FGVP**) demonstrates superior performance in zero-shot comprehension of referring expressions on the RefCOCO, RefCOCO+, and RefCOCOg benchmarks. It outperforms prior methods by an average margin of 3.0\% to 4.6\%, with a maximum improvement of 12.5\% on the RefCOCO+ testA subset. The part detection experiments conducted on the PACO dataset further validate the preponderance of FGVP over existing visual prompting techniques. Code is available at https://github.com/ylingfeng/FGVP.

Deep Learning/Robustness

Kanishk Jain, Shyamgopal Karthik, Vineet Gandhi

We investigate the problem of reducing mistake severity for fine-grained classification. Fine-grained classification can be challenging, mainly due to the requirement of knowledge or domain expertise for accurate annotation. However, humans are particularly adept at performing coarse classification as it requires relatively low levels of expertise. To this end, we present a novel approach for Post-Hoc Correction called Hierarchical Ensembles (HiE) that utilizes label hierarchy to improve the performance of fine-grained classification at test-time using the coarse-grained predictions. By only requiring the parents of leaf nodes, our method significantly reduces avg. mistake severity while improving top-1 accuracy on the iNaturalist-19 and tieredImageNet-H datasets, achieving a new state-of-the-art on both benchmarks. We also investigate the efficacy of our approach in the semi-supervised setting. Our approach brings notable gains in top-1 accuracy while significantly decreasing the severity of mistakes as training data decreases for the fine-grained classes. The simplicity and post-hoc nature of HiE renders it practical to be used with any off-the-shelf trained model to improve its predictions further.

Reinforcement Learning

Stefan Stojanovic, Yassir Jedra, Alexandre Proutiere

We study matrix estimation problems arising in reinforcement learning with low-rank structure. In low-rank bandits, the matrix to be recovered specifies the expected arm rewards, and for low-rank Markov Decision Processes (MDPs), it characterizes the transition kernel of the MDP. In both cases, each entry of the matrix carries important information, and we seek estimation methods with low entry-wise prediction error. Importantly, these methods further need to accommodate for inherent correlations in the available data (e.g. for MDPs, the data consists of system trajectories). We investigate the performance of simple spectral-based matrix estimation approaches: we show that they efficiently recover the singular subspaces of the matrix and exhibit nearly-minimal entry-wise prediction error. These new results on low-rank matrix estimation make it possible to devise reinforcement learning algorithms that fully exploit the underlying low-rank structure. We provide two examples of such algorithms: a regret minimization algorithm for low-rank bandit problems, and a best policy identification algorithm for low-rank MDPs. Both algorithms yield state-of-the-art performance guarantees.

Deep Learning/Algorithms

Denis Kuznedelev, Eldar Kurtić, Elias Frantar, Dan Alistarh

Driven by significant improvements in architectural design and training pipelines, computer visionhas recently experienced dramatic progress in terms of accuracy on classic benchmarks such as ImageNet. These highly-accurate models are challenging to deploy, as they appear harder to compress using standard techniques such as pruning. We address this issue by introducing the Correlation Aware Pruner (CAP), a new unstructured pruning framework which significantly pushes the compressibility limits for state-of-the-art architectures.Our method is based on two technical advancements: a new theoretically-justified pruner, which can handle complex weight correlations accurately and efficiently during the pruning process itself, and an efficient finetuning procedure for post-compression recovery. We validate our approach via extensive experiments on several modern vision models such as Vision Transformers (ViT), modern CNNs, and ViT-CNN hybrids, showing for the first time that these can be pruned to high sparsity levels (e.g. $\geq 75$%) with low impact on accuracy ($\leq 1$% relative drop). Our approach is also compatible with structured pruning and quantization, and can lead to practical speedups of 1.5 to 2.4x without accuracy loss. To further showcase CAP's accuracy and scalability, we use it to show for the first time that extremely-accurate large vision models, trained via self-supervised techniques, can also be pruned to moderate sparsities, with negligible accuracy loss.

Applications/Computer Vision

Quang Nguyen, Truong Vu, Anh Tran, Khoi Nguyen

Preparing training data for deep vision models is a labor-intensive task. To address this, generative models have emerged as an effective solution for generating synthetic data. While current generative models produce image-level category labels, we propose a novel method for generating pixel-level semantic segmentation labels using the text-to-image generative model Stable Diffusion (SD). By utilizing the text prompts, cross-attention, and self-attention of SD, we introduce three new techniques: class-prompt appending, class-prompt cross-attention, and self-attention exponentiation. These techniques enable us to generate segmentation maps corresponding to synthetic images. These maps serve as pseudo-labels for training semantic segmenters, eliminating the need for labor-intensive pixel-wise annotation. To account for the imperfections in our pseudo-labels, we incorporate uncertainty regions into the segmentation, allowing us to disregard loss from those regions. We conduct evaluations on two datasets, PASCAL VOC and MSCOCO, and our approach significantly outperforms concurrent work. Our benchmarks and code will be released at https://github.com/VinAIResearch/Dataset-Diffusion.

Social Aspects/Accountability, Transparency and Interpretability

Francesco Giannini, Stefano Fioravanti, Oguzhan Keskin, Alisia Lupidi, Lucie Charlotte Magister, Pietro Lió, Pietro Barbiero

The rise of Artificial Intelligence (AI) recently empowered researchers to investigate hard mathematical problems which eluded traditional approaches for decades. Yet, the use of AI in Universal Algebra (UA)---one of the fields laying the foundations of modern mathematics---is still completely unexplored. This work proposes the first use of AI to investigate UA's conjectures with an equivalent equational and topological characterization. While topological representations would enable the analysis of such properties using graph neural networks, the limited transparency and brittle explainability of these models hinder their straightforward use to empirically validate existing conjectures or to formulate new ones. To bridge these gaps, we propose a general algorithm generating AI-ready datasets based on UA's conjectures, and introduce a novel neural layer to build fully interpretable graph networks. The results of our experiments demonstrate that interpretable graph networks: (i) enhance interpretability without sacrificing task accuracy, (ii) strongly generalize when predicting universal algebra's properties, (iii) generate simple explanations that empirically validate existing conjectures, and (iv) identify subgraphs suggesting the formulation of novel conjectures.

Thomas FEL, Victor Boutin, Louis Béthune, Remi Cadene, Mazda Moayeri, Léo Andéol, Mathieu Chalvidal, Thomas Serre

In recent years, concept-based approaches have emerged as some of the most promising explainability methods to help us interpret the decisions of Artificial Neural Networks (ANNs). These methods seek to discover intelligible visual ``concepts'' buried within the complex patterns of ANN activations in two key steps: (1) concept extraction followed by (2) importance estimation. While these two steps are shared across methods, they all differ in their specific implementations. Here, we introduce a unifying theoretical framework that recast the first step -- concept extraction problem -- as a special case of **dictionary learning**, and we formalize the second step -- concept importance estimation -- as a more general form of **attribution method**.This framework offers several advantages as it allows us: (i) to propose new evaluation metrics for comparing different concept extraction approaches; (ii) to leverage modern attribution methods and evaluation metrics to extend and systematically evaluate state-of-the-art concept-based approaches and importance estimation techniques; (iii) to derive theoretical guarantees regarding the optimality of such methods. We further leverage our framework to try to tackle a crucial question in explainability: how to *efficiently* identify clusters of data points that are classified based on a similar shared strategy.To illustrate these findings and to highlight the main strategies of a model, we introduce a visual representation called the strategic cluster graph. Finally, we present Lens, a dedicated website that offers a complete compilation of these visualizations for all classes of the ImageNet dataset.

Data-centric AI/Data-centric AI methods and tools

Mayee Chen, Nicholas Roberts, Kush Bhatia, Jue WANG, Ce Zhang, Frederic Sala, Christopher Ré

The quality of training data impacts the performance of pre-trained large language models (LMs). Given a fixed budget of tokens, we study how to best select data that leads to good downstream model performance across tasks. We develop a new framework based on a simple hypothesis: just as humans acquire interdependent skills in a deliberate order, language models also follow a natural order when learning a set of skills from their training data. If such an order exists, it can be utilized for improved understanding of LMs and for data-efficient training. Using this intuition, our framework formalizes the notion of a skill and of an ordered set of skills in terms of the associated data. First, using both synthetic and real data, we demonstrate that these ordered skill sets exist, and that their existence enables more advanced skills to be learned with less data when we train on their prerequisite skills. Second, using our proposed framework, we introduce an online data sampling algorithm, Skill-It, over mixtures of skills for both continual pre-training and fine-tuning regimes, where the objective is to efficiently learn multiple skills in the former and an individual skill in the latter. On the LEGO synthetic in the continual pre-training setting, Skill-It obtains 37.5 points higher accuracy than random sampling. On the Natural Instructions dataset in the fine-tuning setting, Skill-It reduces the validation loss on the target skill by 13.6% versus training on data associated with the target skill itself. We apply our skills framework on the RedPajama dataset to continually pre-train a 3B-parameter LM, achieving higher accuracy on the LM Evaluation Harness with 1B tokens than the baseline approach of sampling uniformly over data sources with 3B tokens.

Applications/Computer Vision

Xiang Li, Chung-Ching Lin, Yinpeng Chen, Zicheng Liu, Jinglu Wang, Rita Singh, Bhiksha Raj

The paper introduces PaintSeg, a new unsupervised method for segmenting objects without any training. We propose an adversarial masked contrastive painting (AMCP) process, which creates a contrast between the original image and a painted image in which a masked area is painted using off-the-shelf generative models. During the painting process, inpainting and outpainting are alternated, with the former masking the foreground and filling in the background, and the latter masking the background while recovering the missing part of the foreground object. Inpainting and outpainting, also referred to as I-step and O-step, allow our method to gradually advance the target segmentation mask toward the ground truth without supervision or training. PaintSeg can be configured to work with a variety of prompts, e.g. coarse masks, boxes, scribbles, and points. Our experimental results demonstrate that PaintSeg outperforms existing approaches in coarse mask-prompt, box-prompt, and point-prompt segmentation tasks, providing a training-free solution suitable for unsupervised segmentation. Code: https://github.com/lxa9867/PaintSeg.

Optimization/Multi-objective Optimization

Peiyao Xiao, Hao Ban, Kaiyi Ji

Multi-objective optimization (MOO) has become an influential framework in many machine learning problems with multiple objectives such as learning with multiple criteria and multi-task learning (MTL). In this paper, we propose a new direction-oriented multi-objective formulation by regularizing the common descent direction within a neighborhood of a direction that optimizes a linear combination of objectives such as the average loss in MTL or a weighted loss that places higher emphasis on some tasks than the others. This formulation includes GD and MGDA as special cases, enjoys the direction-oriented benefit as in CAGrad, and facilitates the design of stochastic algorithms. To solve this problem, we propose Stochastic Direction-oriented Multi-objective Gradient descent (SDMGrad) with simple SGD type of updates, and its variant SDMGrad-OS with an efficient objective sampling. We develop a comprehensive convergence analysis for the proposed methods with different loop sizes and regularization coefficients. We show that both SDMGrad and SDMGrad-OS achieve improved sample complexities to find an $\epsilon$-accurate Pareto stationary point while achieving a small $\epsilon$-level distance toward a conflict-avoidant (CA) direction. For a constant-level CA distance, their sample complexities match the best known $\mathcal{O}(\epsilon^{-2})$ without bounded function value assumption. Extensive experiments show that our methods achieve competitive or improved performance compared to existing gradient manipulation approaches in a series of tasks on multi-task supervised learning and reinforcement learning. Code is available at https://github.com/ml-opt-lab/sdmgrad.

Applications/Language, Speech and Dialog

Jiannan Xiang, Tianhua Tao, Yi Gu, Tianmin Shu, Zirui Wang, Zichao Yang, Zhiting Hu

While large language models (LMs) have shown remarkable capabilities across numerous tasks, they often struggle with simple reasoning and planning in physical environments, such as understanding object permanence or planning household activities. The limitation arises from the fact that LMs are trained only on written text and miss essential embodied knowledge and skills. In this paper, we propose a new paradigm of enhancing LMs by finetuning them with world models, to gain diverse embodied knowledge while retaining their general language capabilities. Our approach deploys an embodied agent in a world model, particularly a simulator of the physical world (VirtualHome), and acquires a diverse set of embodied experiences through both goal-oriented planning and random exploration. These experiences are then used to finetune LMs to teach diverse abilities of reasoning and acting in the physical world, e.g., planning and completing goals, object permanence and tracking, etc. Moreover, it is desirable to preserve the generality of LMs during finetuning, which facilitates generalizing the embodied knowledge across tasks rather than being tied to specific simulations. We thus further introduce the classical elastic weight consolidation (EWC) for selective weight updates, combined with low-rank adapters (LoRA) for training efficiency. Extensive experiments show our approach substantially improves base LMs on 18 downstream tasks by 64.28% on average. In particular, the small LMs (1.3B, 6B, and 13B) enhanced by our approach match or even outperform much larger LMs (e.g., ChatGPT).

Probabilistic Methods/Bayesian Models and Methods

Alexander Immer, Emanuele Palumbo, Alexander Marx, Julia Vogt

Flexibly quantifying both irreducible aleatoric and model-dependent epistemic uncertainties plays an important role for complex regression problems. While deep neural networks in principle can provide this flexibility and learn heteroscedastic aleatoric uncertainties through non-linear functions, recent works highlight that maximizing the log likelihood objective parameterized by mean and variance can lead to compromised mean fits since the gradient are scaled by the predictive variance, and propose adjustments in line with this premise. We instead propose to use the natural parametrization of the Gaussian, which has been shown to be more stable for heteroscedastic regression based on non-linear feature maps and Gaussian processes. Further, we emphasize the significance of principled regularization of the network parameters and prediction. We therefore propose an efficient Laplace approximation for heteroscedastic neural networks that allows automatic regularization through empirical Bayes and provides epistemic uncertainties, both of which improve generalization.We showcase on a range of regression problems—including a new heteroscedastic image regression benchmark—that our methods are scalable, improve over previous approaches for heteroscedastic regression, and provide epistemic uncertainty without requiring hyperparameter tuning.

Applications/Computer Vision

Muhammad Jehanzeb Mirza, Leonid Karlinsky, Wei Lin, Horst Possegger, Mateusz Kozinski, Rogerio Feris, Horst Bischof

Recently, large-scale pre-trained Vision and Language (VL) models have set a new state-of-the-art (SOTA) in zero-shot visual classification enabling open-vocabulary recognition of potentially unlimited set of categories defined as simple language prompts. However, despite these great advances, the performance of these zero-shot classifiers still falls short of the results of dedicated (closed category set) classifiers trained with supervised fine-tuning. In this paper we show, for the first time, how to reduce this gap without any labels and without any paired VL data, using an unlabeled image collection and a set of texts auto-generated using a Large Language Model (LLM) describing the categories of interest and effectively substituting labeled visual instances of those categories. Using our label-free approach, we are able to attain significant performance improvements over the zero-shot performance of the base VL model and other contemporary methods and baselines on a wide variety of datasets, demonstrating absolute improvement of up to $11.7\%$ ($3.8\%$ on average) in the label-free setting. Moreover, despite our approach being label-free, we observe $1.3\%$ average gains over leading few-shot prompting baselines that do use 5-shot supervision.

Social Aspects/Trustworthy Machine Learning

Jongheon Jeong, Jinwoo Shin

Along with recent diffusion models, randomized smoothing has become one of a few tangible approaches that offers adversarial robustness to models at scale, e.g., those of large pre-trained models. Specifically, one can perform randomized smoothing on any classifier via a simple "denoise-and-classify" pipeline, so-called denoised smoothing, given that an accurate denoiser is available - such as diffusion model. In this paper, we present scalable methods to address the current trade-off between certified robustness and accuracy in denoised smoothing. Our key idea is to "selectively" apply smoothing among multiple noise scales, coined multi-scale smoothing, which can be efficiently implemented with a single diffusion model. This approach also suggests a new objective to compare the collective robustness of multi-scale smoothed classifiers, and questions which representation of diffusion model would maximize the objective. To address this, we propose to further fine-tune diffusion model (a) to perform consistent denoising whenever the original image is recoverable, but (b) to generate rather diverse outputs otherwise. Our experiments show that the proposed multi-scale smoothing scheme, combined with diffusion fine-tuning, not only allows strong certified robustness at high noise scales but also maintains accuracy close to non-smoothed classifiers. Code is available at https://github.com/jh-jeong/smoothing-multiscale.

Miscellaneous Aspects of Machine Learning/General Machine Learning Techniques

Weiduo Liao, Ying Wei, Mingchen Jiang, Qingfu Zhang, Hisao Ishibuchi

Compositionality facilitates the comprehension of novel objects using acquired concepts and the maintenance of a knowledge pool. This is particularly crucial for continual learners to prevent catastrophic forgetting and enable compositionally forward transfer of knowledge. However, the existing state-of-the-art benchmarks inadequately evaluate the capability of compositional generalization, leaving an intriguing question unanswered. To comprehensively assess this capability, we introduce two vision benchmarks, namely Compositional GQA (CGQA) and Compositional OBJects365 (COBJ), along with a novel evaluation framework called Compositional Few-Shot Testing (CFST). These benchmarks evaluate the systematicity, productivity, and substitutivity aspects of compositional generalization. Experimental results on five baselines and two modularity-based methods demonstrate that current continual learning techniques do exhibit somewhat favorable compositionality in their learned feature extractors. Nonetheless, further efforts are required in developing modularity-based approaches to enhance compositional generalization. We anticipate that our proposed benchmarks and evaluation protocol will foster research on continual learning and compositionality.

Applications/Chemistry and Drug Discovery

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca Thiede, Anshul Kundaje, Alan Aspuru-Guzik

The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Overall, we believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to the practice of designing molecules that solve existing problems in both academia and industry alike.

Applications/Computer Vision

Yuan Wang, Naisong Luo, Tianzhu Zhang

Few-shot segmentation (FSS) aims to segment objects of new categories given only a handful of annotated samples. Previous works focus their efforts on exploring the support information while paying less attention to the mining of the critical query branch. In this paper, we rethink the importance of support information and propose a new query-centric FSS model Adversarial Mining Transformer (AMFormer), which achieves accurate query image segmentation with only rough support guidance or even weak support labels. The proposed AMFormer enjoys several merits. First, we design an object mining transformer (G) that can achieve the expansion of incomplete region activated by support clue, and a detail mining transformer (D) to discriminate the detailed local difference between the expanded mask and the ground truth. Second, we propose to train G and D via an adversarial process, where G is optimized to generate more accurate masks approaching ground truth to fool D. We conduct extensive experiments on commonly used Pascal-5i and COCO-20i benchmarks and achieve state-of-the-art results across all settings. In addition, the decent performance with weak support labels in our query-centric paradigm may inspire the development of more general FSS models.

Theory/Learning Theory

Jingwen Fu, Zhizheng Zhang, Dacheng Yin, Yan Lu, Nanning Zheng

This paper explores the connection between learning trajectories of Deep Neural Networks (DNNs) and their generalization capabilities when optimized using (stochastic) gradient descent algorithms. Instead of concentrating solely on the generalization error of the DNN post-training, we present a novel perspective for analyzing generalization error by investigating the contribution of each update step to the change in generalization error. This perspective enable a more direct comprehension of how the learning trajectory influences generalization error. Building upon this analysis, we propose a new generalization bound that incorporates more extensive trajectory information.Our proposed generalization bound depends on the complexity of learning trajectory and the ratio between the bias and diversity of training set. Experimental observations reveal that our method effectively captures the generalization error throughout the training process. Furthermore, our approach can also track changes in generalization error when adjustments are made to learning rates and label noise levels. These results demonstrate that learning trajectory information is a valuable indicator of a model's generalization capabilities.