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Generative Models · Reasoning

Xixi Wu, Yifei Shen, Caihua Shan, Kaitao Song, Siwei Wang, Bohang Zhang, Jiarui Feng, Hong Cheng, Wei Chen, Yun Xiong 等

Task planning in language agents is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests in natural language into solvable sub-tasks, thereby fulfilling the original requests. In this context, the sub-tasks can be naturally viewed as a graph, where the nodes represent the sub-tasks, and the edges denote the dependencies among them. Consequently, task planning is a decision-making problem that involves selecting a connected path or subgraph within the corresponding graph and invoking it. In this paper, we explore graph learning-based methods for task planning, a direction that is orthogonal to the prevalent focus on prompt design. Our interest in graph learning stems from a theoretical discovery: the biases of attention and auto-regressive loss impede LLMs' ability to effectively navigate decision-making on graphs, which is adeptly addressed by graph neural networks (GNNs). This theoretical insight led us to integrate GNNs with LLMs to enhance overall performance. Extensive experiments demonstrate that GNN-based methods surpass existing solutions even without training, and minimal training can further enhance their performance. The performance gain increases with a larger task graph size.

Trustworthy Machine Learning

Ye Sun, Hao Zhang, Tiehua Zhang, Xingjun Ma, Yu-Gang Jiang

Image segmentation is a crucial vision task that groups pixels within an image into semantically meaningful segments, which is pivotal in obtaining a fine-grained understanding of real-world scenes. However, an increasing privacy concern exists regarding training large-scale image segmentation models on unauthorized private data. In this work, we exploit the concept of unlearnable examples to make images unusable to model training by generating and adding unlearnable noise into the original images. Particularly, we propose a novel Unlearnable Segmentation (UnSeg) framework to train a universal unlearnable noise generator that is capable of transforming any downstream images into their unlearnable version. The unlearnable noise generator is finetuned from the Segment Anything Model (SAM) via bilevel optimization on an interactive segmentation dataset towards minimizing the training error of a surrogate model that shares the same architecture with SAM (but trains from scratch). We empirically verify the effectiveness of UnSeg across 6 mainstream image segmentation tasks, 10 widely used datasets, and 7 different network architectures, and show that the unlearnable images can reduce the segmentation performance by a large margin. Our work provides useful insights into how to leverage foundation models in a data-efficient and computationally affordable manner to protect images against image segmentation models.

Theory · Statistics

Syamantak Kumar, Purnamrita Sarkar

Oja's algorithm for Streaming Principal Component Analysis (PCA) for $n$ data-points in a $d$ dimensional space achieves the same sin-squared error $O(r_{\mathsf{eff}}/n)$ as the offline algorithm in $O(d)$ space and $O(nd)$ time and a single pass through the datapoints. Here $r_{\mathsf{eff}}$ is the effective rank (ratio of the trace and the principal eigenvalue of the population covariance matrix $\Sigma$). Under this computational budget, we consider the problem of sparse PCA, where the principal eigenvector of $\Sigma$ is $s$-sparse, and $r_{\mathsf{eff}}$ can be large. In this setting, to our knowledge, *there are no known single-pass algorithms* that achieve the minimax error bound in $O(d)$ space and $O(nd)$ time without either requiring strong initialization conditions or assuming further structure (e.g., spiked) of the covariance matrix.We show that a simple single-pass procedure that thresholds the output of Oja's algorithm (the Oja vector) can achieve the minimax error bound under some regularity conditions in $O(d)$ space and $O(nd)$ time. We present a nontrivial and novel analysis of the entries of the unnormalized Oja vector, which involves the projection of a product of independent random matrices on a random initial vector. This is completely different from previous analyses of Oja's algorithm and matrix products, which have been done when the $r_{\mathsf{eff}}$ is bounded.

Computer Vision · Video Generation

Gwanghyun Kim, Alonso Martinez, Yu-Chuan Su, Brendan Jou, Jose Lezama, Agrim Gupta, Lijun Yu, Lu Jiang, Aren Jansen, Jacob Walker 等

Training diffusion models for audiovisual sequences allows for a range of generation tasks by learning conditional distributions of various input-output combinations of the two modalities. Nevertheless, this strategy often requires training a separate model for each task which is expensive. Here, we propose a novel training approach to effectively learn arbitrary conditional distributions in the audiovisual space. Our key contribution lies in how we parameterize the diffusion timestep in the forward diffusion process. Instead of the standard fixed diffusion timestep, we propose applying variable diffusion timesteps across the temporal dimension and across modalities of the inputs. This formulation offers flexibility to introduce variable noise levels for various portions of the input, hence the term mixture of noise levels. We propose a transformer-based audiovisual latent diffusion model and show that it can be trained in a task-agnostic fashion using our approach to enable a variety of audiovisual generation tasks at inference time. Experiments demonstrate the versatility of our method in tackling cross-modal and multimodal interpolation tasks in the audiovisual space. Notably, our proposed approach surpasses baselines in generating temporally and perceptually consistent samples conditioned on the input. Project page: neurips13025.github.io

Generative Models · Diffusion models

Shuai Wang, Zexian Li, Tianhui Song, Xubin Li, Tiezheng Ge, Bo Zheng, Limin Wang

Arbitrary-resolution image generation still remains a challenging task in AIGC, as it requires handling varying resolutions and aspect ratios while maintaining high visual quality. Existing transformer-based diffusion methods suffer from quadratic computation cost and limited resolution extrapolation capabilities, making them less effective for this task. In this paper, we propose FlowDCN, a purely convolution-based generative model with linear time and memory complexity, that can efficiently generate high-quality images at arbitrary resolutions. Equipped with a new design of learnable group-wise deformable convolution block, our FlowDCN yields higher flexibility and capability to handle different resolutions with a single model.FlowDCN achieves the state-of-the-art 4.30 sFID on $256\times256$ ImageNet Benchmark and comparable resolution extrapolation results, surpassing transformer-based counterparts in terms of convergence speed (only $\frac{1}{5}$ images), visual quality, parameters ($8\%$ reduction) and FLOPs ($20\%$ reduction). We believe FlowDCN offers a promising solution to scalable and flexible image synthesis.

Computer Vision

Chubin Zhang, Hongliang Song, Yi Wei, Chen Yu, Jiwen Lu, Yansong Tang

In this work, we introduce the Geometry-Aware Large Reconstruction Model (GeoLRM), an approach which can predict high-quality assets with 512k Gaussians and 21 input images in only 11 GB GPU memory. Previous works neglect the inherent sparsity of 3D structure and do not utilize explicit geometric relationships between 3D and 2D images. This limits these methods to a low-resolution representation and makes it difficult to scale up to the dense views for better quality. GeoLRM tackles these issues by incorporating a novel 3D-aware transformer structure that directly processes 3D points and uses deformable cross-attention mechanisms to effectively integrate image features into 3D representations. We implement this solution through a two-stage pipeline: initially, a lightweight proposal network generates a sparse set of 3D anchor points from the posed image inputs; subsequently, a specialized reconstruction transformer refines the geometry and retrieves textural details. Extensive experimental results demonstrate that GeoLRM significantly outperforms existing models, especially for dense view inputs. We also demonstrate the practical applicability of our model with 3D generation tasks, showcasing its versatility and potential for broader adoption in real-world applications. The project page: https://linshan-bin.github.io/GeoLRM/.

Deep Learning · Representation Learning

Hao Deng, Kunlei Jing, Shengmei Chen, Cheng Liu, Jiawei Ru, Bo Jiang, Lin Wang

Point-based methods have made significant progress, but improving their scalability in large-scale 3D scenes is still a challenging problem. In this paper, we delve into the point-based method and develop a simpler, faster, stronger variant model, dubbed as LinNet. In particular, we first propose the disassembled set abstraction (DSA) module, which is more effective than the previous version of set abstraction. It achieves more efficient local aggregation by leveraging spatial anisotropy and channel anisotropy separately. Additionally, by mapping 3D point clouds onto 1D space-filling curves, we enable parallelization of downsampling and neighborhood queries on GPUs with linear complexity. LinNet, as a purely point-based method, outperforms most previous methods in both indoor and outdoor scenes without any extra attention, and sparse convolution but merely relying on a simple MLP. It achieves the mIoU of 73.7\%, 81.4\%, and 69.1\% on the S3DIS Area5, NuScenes, and SemanticKITTI validation benchmarks, respectively, while speeding up almost 10x times over PointNeXt. Our work further reveals both the efficacy and efficiency potential of the vanilla point-based models in large-scale representation learning. Our code will be available upon publication.

Chaoya Jiang, Hongrui Jia, Haiyang Xu, Wei Ye, Mengfan Dong, Ming Yan, Ji Zhang, Fei Huang, Shikun Zhang

This paper presents MaVEn, an innovative Multi-granularity Visual Encoding framework designed to enhance the capabilities of Multimodal Large Language Models (MLLMs) in multi-image reasoning. Current MLLMs primarily focus on single-image visual understanding, limiting their ability to interpret and integrate information across multiple images. MaVEn addresses this limitation by combining discrete visual symbol sequences, which abstract coarse-grained semantic concepts, with traditional continuous representation sequences that model fine-grained features. This dual approach bridges the semantic gap between visual and textual data, thereby improving the model's ability to process and interpret information from multiple images effectively. Additionally, we design a dynamic reduction mechanism by for long-sequence continuous features to enhance multi-image processing efficiency. Experimental results demonstrate that MaVEn significantly enhances MLLMs' understanding in complex multi-image scenarios, while also improving performance in single-image contexts.

Generative Models

Zhen Zhao, Jingqun Tang, Binghong Wu, Chunhui Lin, Shu Wei, Hao Liu, Xin Tan, zhizhong zhang, Can Huang, Yuan Xie

In this work, we present TextHarmony, a unified and versatile multimodal generative model proficient in comprehending and generating visual text. Simultaneously generating images and texts typically results in performance degradation due to the inherent inconsistency between vision and language modalities. To overcome this challenge, existing approaches resort to modality-specific data for supervised fine-tuning, necessitating distinct model instances. We propose Slide-LoRA, which dynamically aggregates modality-specific and modality-agnostic LoRA experts, partially decoupling the multimodal generation space. Slide-LoRA harmonizes the generation of vision and language within a singular model instance, thereby facilitating a more unified generative process. Additionally, we develop a high-quality image caption dataset, DetailedTextCaps-100K, synthesized with a sophisticated closed-source MLLM to enhance visual text generation capabilities further. Comprehensive experiments across various benchmarks demonstrate the effectiveness of the proposed approach. Empowered by Slide-LoRA, TextHarmony achieves comparable performance to modality-specific fine-tuning results with only a 2% increase in parameters and shows an average improvement of 2.5% in visual text comprehension tasks and 4.0% in visual text generation tasks. Our work delineates the viability of an integrated approach to multimodal generation within the visual text domain, setting a foundation for subsequent inquiries. Code is available at https://github.com/bytedance/TextHarmony.

Zixuan Zhang, Kaiqi Zhang, Minshuo Chen, Yuma Takeda, Mengdi Wang, Tuo Zhao, Yu-Xiang Wang

Convolutional residual neural networks (ConvResNets), though overparametersized, can achieve remarkable prediction performance in practice, which cannot be well explained by conventional wisdom. To bridge this gap, we study the performance of ConvResNeXts trained with weight decay, which cover ConvResNets as a special case, from the perspective of nonparametric classification. Our analysis allows for infinitely many building blocks in ConvResNeXts, and shows that weight decay implicitly enforces sparsity on these blocks. Specifically, we consider a smooth target function supported on a low-dimensional manifold, then prove that ConvResNeXts can adapt to the function smoothness and low-dimensional structures and efficiently learn the function without suffering from the curse of dimensionality. Our findings partially justify the advantage of overparameterized ConvResNeXts over conventional machine learning models.

Privacy

Andrew Lowy, Daogao Liu, Hilal Asi

We study private stochastic convex optimization (SCO) under user-level differential privacy (DP) constraints. In this setting, there are $n$ users (e.g., cell phones), each possessing $m$ data items (e.g., text messages), and we need to protect the privacy of each user's entire collection of data items. Existing algorithms for user-level DP SCO are impractical in many large-scale machine learning scenarios because: (i) they make restrictive assumptions on the smoothness parameter of the loss function and require the number of users to grow polynomially with the dimension of the parameter space; or (ii) they are prohibitively slow, requiring at least $(mn)^{3/2}$ gradient computations for smooth losses and $(mn)^3$ computations for non-smooth losses. To address these limitations, we provide novel user-level DP algorithms with state-of-the-art excess risk and runtime guarantees, without stringent assumptions. First, we develop a linear-time algorithm with state-of-the-art excess risk (for a non-trivial linear-time algorithm) under a mild smoothness assumption. Our second algorithm applies to arbitrary smooth losses and achieves optimal excess risk in $\approx (mn)^{9/8}$ gradient computations. Third, for non-smooth loss functions, we obtain optimal excess risk in $n^{11/8} m^{5/4}$ gradient computations. Moreover, our algorithms do not require the number of users to grow polynomially with the dimension.

Yihe Deng, Chenchen Ye, Zijie Huang, Mingyu Derek Ma, Yiwen Kou, Wei Wang

The rapid evolution of large language models (LLMs) has expanded their capabilities across various data modalities, extending from well-established image data to increasingly popular graph data. Given the limitation of LLMs in hallucinations and inaccuracies in recalling factual knowledge, Knowledge Graph (KG) has emerged as a crucial data modality to support more accurate reasoning by LLMs. However, integrating structured knowledge from KGs into LLMs remains challenging, as most current KG-enhanced LLM methods directly convert the KG into linearized text triples, which is not as expressive as the original structured data. To address this, we introduce GraphVis, which conserves the intricate graph structure through the visual modality to enhance the comprehension of KGs with the aid of Large Vision Language Models (LVLMs). Our approach incorporates a unique curriculum fine-tuning scheme which first instructs LVLMs to recognize basic graphical features from the images, and subsequently incorporates reasoning on QA tasks with the visual graphs. This cross-modal methodology not only markedly enhances performance on standard textual QA but also shows improved zero-shot VQA performance by utilizing synthetic graph images to augment the data for VQA tasks. We present comprehensive evaluations across commonsense reasoning QA benchmarks, where GraphVis provides an average improvement of 11.1% over its base model and outperforms existing KG-enhanced LLM approaches. Across VQA benchmarks such as ScienceQA that share similar scientific diagram images, GraphVis provides a notable gain of 4.32%.

Computer Vision · Classification

Francisco M. Castro-Macías, Pablo Morales Alvarez, Yunan Wu, Rafael Molina, Aggelos Katsaggelos

Multiple Instance Learning (MIL) is widely used in medical imaging classification to reduce the labeling effort. While only bag labels are available for training, one typically seeks predictions at both bag and instance levels (classification and localization tasks, respectively). Early MIL methods treated the instances in a bag independently. Recent methods account for global and local dependencies among instances. Although they have yielded excellent results in classification, their performance in terms of localization is comparatively limited. We argue that these models have been designed to target the classification task, while implications at the instance level have not been deeply investigated. Motivated by a simple observation -- that neighboring instances are likely to have the same label -- we propose a novel, principled, and flexible mechanism to model local dependencies. It can be used alone or combined with any mechanism to model global dependencies (e.g., transformers). A thorough empirical validation shows that our module leads to state-of-the-art performance in localization while being competitive or superior in classification. Our code is at https://github.com/Franblueee/SmMIL.

Trustworthy Machine Learning

Zelei Cheng, Xian Wu, Jiahao Yu, Shuo Han, Xin-Qiang Cai, Xinyu Xing

Toxicity classification in textual content remains a significant problem. Data with labels from a single annotator fall short of capturing the diversity of human perspectives. Therefore, there is a growing need to incorporate crowdsourced annotations for training an effective toxicity classifier. Additionally, the standard approach to training a classifier using empirical risk minimization (ERM) may fail to address the potential shifts between the training set and testing set due to exploiting spurious correlations. This work introduces a novel bi-level optimization framework that integrates crowdsourced annotations with the soft-labeling technique and optimizes the soft-label weights by Group Distributionally Robust Optimization (GroupDRO) to enhance the robustness against out-of-distribution (OOD) risk. We theoretically prove the convergence of our bi-level optimization algorithm. Experimental results demonstrate that our approach outperforms existing baseline methods in terms of both average and worst-group accuracy, confirming its effectiveness in leveraging crowdsourced annotations to achieve more effective and robust toxicity classification.

Multimodal Models

Bo Wan, Michael Tschannen, Yongqin Xian, Filip Pavetic, Ibrahim Alabdulmohsin, Xiao Wang, André Susano Pinto, Andreas Steiner, Lucas Beyer, Xiaohua Zhai

Image captioning was recently found to be an effective pretraining method similar to contrastive pretraining. This opens up the largely-unexplored potential of using natural language as a flexible and powerful interface for handling diverse pretraining tasks. In this paper, we demonstrate this with a novel visual pretraining paradigm, LocCa, that incorporates location-aware tasks into captioners to teach models to extract rich information from images. Specifically, LocCa employs two tasks, bounding box prediction and location-dependent captioning, conditioned on the image pixel input. Thanks to the multitask capabilities of an encoder-decoder architecture, we show that an image captioner can effortlessly handle multiple tasks during pretraining. LocCa significantly outperforms standard captioners on downstream localization tasks, achieving state-of-the-art results on RefCOCO/+/g, while maintaining comparable performance on holistic tasks. Our work paves the way for further exploration of natural language interfaces in visual pretraining.

Trustworthy Machine Learning

Shiji Zhao, Ranjie Duan, xizhewang, Xingxing Wei

Adversarial Training (AT) has been widely proved to be an effective method to improve the adversarial robustness against adversarial examples for Deep Neural Networks (DNNs). As a variant of AT, Adversarial Robustness Distillation (ARD) has demonstrated its superior performance in improving the robustness of small student models with the guidance of large teacher models. However, both AT and ARD encounter the robust fairness problem: these models exhibit strong robustness when facing part of classes (easy class), but weak robustness when facing others (hard class). In this paper, we give an in-depth analysis of the potential factors and argue that the smoothness degree of samples' soft labels for different classes (i.e., hard class or easy class) will affect the robust fairness of DNNs from both empirical observation and theoretical analysis. Based on the above finding, we propose an Anti-Bias Soft Label Distillation (ABSLD) method to mitigate the adversarial robust fairness problem within the framework of Knowledge Distillation (KD). Specifically, ABSLD adaptively reduces the student's error risk gap between different classes to achieve fairness by adjusting the class-wise smoothness degree of samples' soft labels during the training process, and the smoothness degree of soft labels is controlled by assigning different temperatures in KD to different classes. Extensive experiments demonstrate that ABSLD outperforms state-of-the-art AT, ARD, and robust fairness methods in the comprehensive metric (Normalized Standard Deviation) of robustness and fairness.

Privacy

Zeki Kazan, Jerome Reiter

When releasing outputs from confidential data, agencies need to balance the analytical usefulness of the released data with the obligation to protect data subjects' confidentiality. For releases satisfying differential privacy, this balance is reflected by the privacy budget, $\varepsilon$. We provide a framework for setting $\varepsilon$ based on its relationship with Bayesian posterior probabilities of disclosure. The agency responsible for the data release decides how much posterior risk it is willing to accept at various levels of prior risk, which implies a unique $\varepsilon$. Agencies can evaluate different risk profiles to determine one that leads to an acceptable trade-off in risk and utility.

Haokun Lin, Haobo Xu, Yichen WU, Jingzhi Cui, Yingtao Zhang, Linzhan Mou, Linqi Song, Zhenan Sun, Ying Wei

Quantization of large language models (LLMs) faces significant challenges, particularly due to the presence of outlier activations that impede efficient low-bit representation. Traditional approaches predominantly address Normal Outliers, which are activations across all tokens with relatively large magnitudes. However, these methods struggle with smoothing Massive Outliers that display significantly larger values, which leads to significant performance degradation in low-bit quantization. In this paper, we introduce DuQuant, a novel approach that utilizes rotation and permutation transformations to more effectively mitigate both massive and normal outliers. First, DuQuant starts by constructing the rotation matrix, using specific outlier dimensions as prior knowledge, to redistribute outliers to adjacent channels by block-wise rotation. Second, We further employ a zigzag permutation to balance the distribution of outliers across blocks, thereby reducing block-wise variance. A subsequent rotation further smooths the activation landscape, enhancing model performance. DuQuant simplifies the quantization process and excels in managing outliers, outperforming the state-of-the-art baselines across various sizes and types of LLMs on multiple tasks, even with 4-bit weight-activation quantization. Our code is available at https://github.com/Hsu1023/DuQuant.

Datasets and Benchmarks

Yunchao Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles Weaver, Jens Meiler 等

While deep learning has revolutionized computer-aided drug discovery, the AI community has predominantly focused on model innovation and placed less emphasis on establishing best benchmarking practices. We posit that without a sound model evaluation framework, the AI community's efforts cannot reach their full potential, thereby slowing the progress and transfer of innovation into real-world drug discovery.Thus, in this paper, we seek to establish a new gold standard for small molecule drug discovery benchmarking, *WelQrate*. Specifically, our contributions are threefold: ***WelQrate*** **dataset collection** - we introduce a meticulously curated collection of 9 datasets spanning 5 therapeutic target classes. Our hierarchical curation pipelines, designed by drug discovery experts, go beyond the primary high-throughput screen by leveraging additional confirmatory and counter screens along with rigorous domain-driven preprocessing, such as Pan-Assay Interference Compounds (PAINS) filtering, to ensure the high-quality data in the datasets; ***WelQrate*** **Evaluation Framework** - we propose a standardized model evaluation framework considering high-quality datasets, featurization, 3D conformation generation, evaluation metrics, and data splits, which provides a reliable benchmarking for drug discovery experts conducting real-world virtual screening; **Benchmarking** - we evaluate model performance through various research questions using the *WelQrate* dataset collection, exploring the effects of different models, dataset quality, featurization methods, and data splitting strategies on the results.In summary, we recommend adopting our proposed *WelQrate* as the gold standard in small molecule drug discovery benchmarking. The *WelQrate* dataset collection, along with the curation codes, and experimental scripts are all publicly available at www.WelQrate.org.

Trustworthy Machine Learning

Liwei Jiang, Kavel Rao, Seungju Han, Allyson Ettinger, Faeze Brahman, Sachin Kumar, Niloofar Mireshghallah, Ximing Lu, Maarten Sap, Yejin Choi 等

We introduce WildTeaming, an automatic red-teaming framework that mines in-the-wild user-chatbot interactions to discover 5.7K unique clusters of novel jailbreak tactics, and then composes selections of multiple mined tactics for systematic exploration of novel and even more challenging jailbreaks.Compared to prior work that performed red-teaming via recruited human workers, gradient-based optimization, or iterative revision with large language models (LLMs), our work investigates jailbreaks from chatbot users in-the-wild who were not specifically instructed to break the system. WildTeaming reveals previously unidentified vulnerabilities of frontier LLMs, resulting in more diverse and successful adversarial attacks compared to state-of-the-art jailbreaking methods. While there exist many datasets for jailbreak evaluation, very few open-source datasets exist for jailbreak training, as safety training data has been closed among all frontier models even when their weights are open. Therefore, with WildTeaming we create WildJailbreak, a large-scale open-source synthetic safety dataset with 262K vanilla (direct request) and adversarial (complex jailbreak) prompt-response pairs. In order to mitigate exaggerated safety behaviors, WildJailbreak provides two contrastive types of queries: 1) harmful queries (both vanilla and adversarial) and 2) benign queries that resemble harmful queries in form but contain no harmful intent. As WildJailbreak considerably upgrades the quality and scale of existing safety resources, it uniquely enables us to examine the scaling effects of data and the interplay of data properties and model capabilities during safety training. Through extensive model training and evaluations, we identify the training properties that enable an ideal balance of safety behaviors: appropriate safeguarding without over-refusal, effective handling of both vanilla and adversarial queries, and minimal, if any, decrease in general capabilities. All the components of WildJailbreak contribute to achieving balanced safety behaviors of models