pwc-archive/papers-with-abstracts huggingface dataset:
Customizable Image Synthesis with Multiple Subjects
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Synthesizing images with user-specified subjects has received growing attention due to its practical applications. Despite the recent success in single subject customization, existing algorithms suffer from high training cost and low success rate along with increased number of subjects. Towards controllable image synthesis with multiple subjects as the constraints, this work studies how to efficiently represent a particular subject as well as how to appropriately compose different subjects. We find that the text embedding regarding the subject token already serves as a simple yet effective representation that supports arbitrary combinations without any model tuning. Through learning a residual on top of the base embedding, we manage to robustly shift the raw subject to the customized subject given various text conditions. We then propose to employ layout, a very abstract and easy-to-obtain prior, as the spatial guidance for subject arrangement. By rectifying the activations in the cross-attention map, the layout appoints and separates the location of different subjects in the image, significantly alleviating the interference across them. Using cross-attention map as the intermediary, we could strengthen the signal of target subjects and weaken the signal of irrelevant subjects within a certain region, significantly alleviating the interference across subjects. Both qualitative and quantitative experimental results demonstrate our superiority over state-of-the-art alternatives under a variety of settings for multi-subject customization.
Synthcity: a benchmark framework for diverse use cases of tabular synthetic data
Date: 2023-09-26 00:00:00
Proceeding: NeurIPS 2023 11

Accessible high-quality data is the bread and butter of machine learning research, and the demand for data has exploded as larger and more advanced ML models are built across different domains. Yet, real data often contain sensitive information, are subject to various biases, and are costly to acquire, which compromise their quality and accessibility. Synthetic data have thus emerged as a complement to, sometimes even a replacement for, real data for ML training. However, the landscape of synthetic data research has been fragmented due to the diverse range of data modalities, such as tabular, time series, and images, and the wide array of use cases, including privacy preservation, fairness considerations, and data augmentation. This fragmentation poses practical challenges when comparing and selecting synthetic data generators in for different problem settings. To this end, we develop Synthcity, an open-source Python library that allows researchers and practitioners to perform one-click benchmarking of synthetic data generators across data modalities and use cases. Beyond benchmarking, Synthcity serves as a centralized toolkit for accessing cutting-edge data generators. In addition, Synthcity’s flexible plug-in style API makes it easy to incorporate additional data generators into the framework. Using examples of tabular data generation and data augmentation, we illustrate the general applicability of Synthcity, and the insight one can obtain.
Euler-Lagrange Analysis of Generative Adversarial Networks
Date: 2023-09-21 00:00:00

We study the problem of generating arbitrarily large environments to improve the throughput of multi-robot systems. Prior work proposes Quality Diversity (QD) algorithms as an effective method for optimizing the environments of automated warehouses. However, these approaches optimize only relatively small environments, falling short when it comes to replicating real-world warehouse sizes. The challenge arises from the exponential increase in the search space as the environment size increases. Additionally, the previous methods have only been tested with up to 350 robots in simulations, while practical warehouses could host thousands of robots. In this paper, instead of optimizing environments, we propose to optimize Neural Cellular Automata (NCA) environment generators via QD algorithms. We train a collection of NCA generators with QD algorithms in small environments and then generate arbitrarily large environments from the generators at test time. We show that NCA environment generators maintain consistent, regularized patterns regardless of environment size, significantly enhancing the scalability of multi-robot systems in two different domains with up to 2,350 robots. Additionally, we demonstrate that our method scales a single-agent reinforcement learning policy to arbitrarily large environments with similar patterns. We include the source code at https://github.com/lunjohnzhang/warehouse_env_gen_nca_public.
Rethinking Conditional Diffusion Sampling with Progressive Guidance
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

This paper tackles two critical challenges encountered in classifier guidance for diffusion generative models, i.e., the lack of diversity and the presence of adversarial effects. These issues often result in a scarcity of diverse samples or the generation of non-robust features. The underlying cause lies in the mechanism of classifier guidance, where discriminative gradients push samples to be recognized as conditions aggressively. This inadvertently suppresses information with common features among relevant classes, resulting in a limited pool of features with less diversity or the absence of robust features for image construction.	We propose a generalized classifier guidance method called Progressive Guidance, which mitigates the problems by allowing relevant classes' gradients to contribute to shared information construction when the image is noisy in early sampling steps. In the later sampling stage, we progressively enhance gradients to refine the details in the image toward the primary condition. This helps to attain a high level of diversity and robustness compared to the vanilla classifier guidance. Experimental results demonstrate that our proposed method further improves the image quality while offering a significant level of diversity as well as robust features.
A Comprehensive Study on Text-attributed Graphs: Benchmarking and Rethinking
Date: 2023-09-26 00:00:00
Proceeding: NeurIPS 2023 11

Text-attributed graphs (TAGs) are prevalent in various real-world scenarios, where each node is associated with a text description. The cornerstone of representation learning on TAGs lies in the seamless integration of textual semantics within individual nodes and the topological connections across nodes. Recent advancements in pre-trained language models (PLMs) and graph neural networks (GNNs) have facilitated effective learning on TAGs, garnering increased research interest. However, the absence of meaningful benchmark datasets and standardized evaluation procedures for TAGs has impeded progress in this field. In this paper, we propose CS-TAG, a comprehensive and diverse collection of challenging benchmark datasets for TAGs. The CS-TAG datasets are notably large in scale and encompass a wide range of domains, spanning from citation networks to purchase graphs. In addition to building the datasets,  we conduct extensive benchmark experiments over CS-TAG with various learning paradigms, including PLMs, GNNs, PLM-GNN co-training methods, and the proposed novel topological pre-training of language models. In a nutshell, we provide an overview of the CS-TAG datasets, standardized evaluation procedures, and present baseline experiments. The entire CS-TAG project is publicly accessible at \url{https://github.com/sktsherlock/TAG-Benchmark}.Submission Number: 748
WalkLM: A Uniform Language Model Fine-tuning Framework for Attributed Graph Embedding
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Graphs are widely used to model interconnected entities and improve downstream predictions in various real-world applications. However, real-world graphs nowadays are often associated with complex attributes on multiple types of nodes and even links that are hard to model uniformly, while the widely used graph neural networks (GNNs) often require sufficient training toward specific downstream predictions to achieve strong performance. In this work, we take a fundamentally different approach than GNNs, to simultaneously achieve deep joint modeling of complex attributes and flexible structures of real-world graphs and obtain unsupervised generic graph representations that are not limited to specific downstream predictions. Our framework, built on a natural integration of language models (LMs) and random walks (RWs), is straightforward, powerful and data-efficient. Specifically, we first perform attributed RWs on the graph and design an automated program to compose roughly meaningful textual sequences directly from the attributed RWs; then we fine-tune an LM using the RW-based textual sequences and extract embedding vectors from the LM, which encapsulates both attribute semantics and graph structures. In our experiments, we evaluate the learned node embeddings towards different downstream prediction tasks on multiple real-world attributed graph datasets and observe significant improvements over a comprehensive set of state-of-the-art unsupervised node embedding methods. We believe this work opens a door for more sophisticated technical designs and empirical evaluations toward the leverage of LMs for the modeling of real-world graphs.
Lovász Principle for Unsupervised Graph Representation Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

This paper focuses on graph-level representation learning that aims to represent graphs as vectors that can be directly utilized in downstream tasks such as graph classification. 
We propose a novel graph-level representation learning principle called Lovász principle, which is motivated by the Lovász number in graph theory. The Lovász number of a graph is a real number that is an upper bound for graph Shannon capacity and is strongly connected with various global characteristics of the graph. Specifically, we show that the handle vector for computing the Lovász number is potentially a suitable choice for graph representation, as it captures a graph's global properties, though a direct application of the handle vector is difficult and problematic. We propose to use neural networks to address the problems and hence provide the Lovász principle. Moreover, we propose an enhanced Lovász principle that is able to exploit the subgraph Lovász numbers directly and efficiently. The experiments demonstrate that our Lovász principles achieve competitive performance compared to the baselines in unsupervised and semi-supervised graph-level representation learning tasks. The code of our Lovász principles is publicly available on GitHub.Submission Number: 4298
Efficient Learning of Linear Graph Neural Networks via Node Subsampling
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Graph Neural Networks (GNNs) are a powerful class of machine learning models with applications in recommender systems, drug discovery, social network analysis, and computer vision. One challenge with their implementation is that GNNs often take large-scale graphs as inputs, which imposes significant computational/storage costs in the training and testing phases. In particular, the message passing operations of a GNN require multiplication of the graph adjacency matrix $A \in \mathbb{R}^{n \times n}$ and the data matrix $X \in \mathbb{R}^{n \times d}$, and the $O(n^2 d)$ time complexity can be prohibitive for large $n$. Thus, a natural question is whether it is possible to perform the GNN operations in (quasi-)linear time by avoiding the full computation of $A X$. To study this question, we consider the setting of a regression task on a two-layer Linear Graph Convolutional Network (GCN). We develop an efficient training algorithm based on (1) performing node subsampling, (2) estimating the leverage scores of $A X$ based on the subsampled graph, and (3) performing leverage score sampling on $A X$. We show that our proposed scheme learns the regression model observing only $O(nd\epsilon^{-2}\log n)$ entries of $A$ in time $O(nd^2 \epsilon^{-2}\log n)$, with the guarantee that the learned weights deviate by at most $\epsilon$ under the $\ell_2$ norm from the model learned using the entire adjacency matrix $A$. We present empirical results for regression problems on real-world graphs and show that our algorithm significantly outperforms other baseline sampling strategies that exploit the same number of observations.
TopoSRL: Topology preserving self-supervised Simplicial Representation Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In this paper, we introduce $\texttt{TopoSRL}$, a novel self-supervised learning (SSL) method for simplicial complexes to effectively capture higher-order interactions and preserve topology in the learned representations. $\texttt{TopoSRL}$ addresses the limitations of existing graph-based SSL methods that typically concentrate on pairwise relationships, neglecting long-range dependencies crucial to capture topological information. We propose a new simplicial augmentation technique that generates two views of the simplicial complex that enriches the representations while being efficient. Next, we propose a new simplicial contrastive loss function that contrasts the generated simplices to preserve local and global information present in the simplicial complexes. Extensive experimental results demonstrate the superior performance of $\texttt{TopoSRL}$ compared to state-of-the-art graph SSL techniques and supervised simplicial neural models across various datasets corroborating the efficacy of $\texttt{TopoSRL}$ in processing simplicial complex data in a self-supervised setting.
Learning Adaptive Tensorial Density Fields for Clean Cryo-ET Reconstruction
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

We present a novel learning-based framework for reconstructing 3D structures from tilt-series cryo-Electron Tomography (cryo-ET) data. Cryo-ET is a powerful imaging technique that can achieve near-atomic resolutions. Still, it suffers from challenges such as missing-wedge acquisition, large data size, and high noise levels. Our framework addresses these challenges by using an adaptive tensorial-based representation for the 3D density field of the scanned sample. First, we optimize a quadtree structure to partition the volume of interest. Then, we learn a vector-matrix factorization of the tensor representing the density field in each node. Moreover, we use a loss function that combines a differentiable tomographic formation model with three regularization terms: total variation, boundary consistency constraint, and an isotropic Fourier prior. Our framework allows us to query the density at any location using the learned representation and obtain a high-quality 3D tomogram. We demonstrate the superiority of our framework over existing methods using synthetic and real data. Thus, our framework boosts the quality of the reconstruction while reducing the computation time and the memory footprint. The code is available at https://github.com/yuanhaowang1213/adaptivetensordf.
Blurred-Dilated Method for Adversarial Attacks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Deep neural networks (DNNs) are vulnerable to adversarial attacks, which lead to incorrect predictions. In black-box settings, transfer attacks can be conveniently used to generate adversarial examples. However, such examples tend to overfit the specific architecture and feature representations of the source model, resulting in poor attack performance against other target models. To overcome this drawback, we propose a novel model modification-based transfer attack: Blurred-Dilated method (BD) in this paper. In summary, BD works by reducing downsampling while introducing BlurPool and dilated convolutions in the source model. Then BD employs the modified source model to generate adversarial samples. We think that BD can more comprehensively preserve the feature information than the original source model. It thus enables more thorough destruction of the image features, which can improve the transferability of the generated adversarial samples. Extensive experiments on the ImageNet dataset show that adversarial examples generated by BD achieve significantly higher transferability than the state-of-the-art baselines. Besides, BD can be conveniently combined with existing black-box attack techniques to further improve their performance.
Don’t blame Dataset Shift! Shortcut Learning due to Gradients and Cross Entropy
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Common explanations for shortcut learning assume that the shortcut improves prediction only under the training distribution. Thus, models trained in the typical way by minimizing log-loss using gradient descent, which we call default-ERM, should utilize the shortcut. However, even when the stable feature determines the label in the training distribution and the shortcut does not provide any additional information, like in perception tasks, default-ERM exhibits shortcut learning. Why are such solutions preferred when the loss can be driven to zero when using the stable feature alone? By studying a linear perception task, we show that default-ERM’s preference for maximizing the margin, even without overparameterization, leads to models that depend more on the shortcut than the stable feature. This insight suggests that default-ERM’s implicit inductive bias towards max-margin may be unsuitable for perception tasks. Instead, we consider inductive biases toward uniform margins. We show that uniform margins guarantee sole dependence on the perfect stable feature in the linear perception task and suggest alternative loss functions, termed margin control (MARG-CTRL), that encourage uniform-margin solutions. MARG-CTRL techniques mitigate shortcut learning on a variety of vision and language tasks, showing that changing inductive biases can remove the need for complicated shortcut-mitigating methods in perception tasks.Submission Number: 15594
Improving Adversarial Robustness via Information Bottleneck Distillation
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Previous studies have shown that optimizing the information bottleneck can significantly improve the robustness of deep neural networks. Our study closely examines the information bottleneck principle and proposes an Information Bottleneck Distillation approach. This specially designed, robust distillation technique utilizes prior knowledge obtained from a robust pre-trained model to boost information bottlenecks.  Specifically, we propose two distillation strategies that align with the two optimization processes of the information bottleneck. Firstly, we use a robust soft-label distillation method to increase the mutual information between latent features and output prediction. Secondly, we introduce an adaptive feature distillation method that automatically transfers relevant knowledge from the teacher model to the student model, thereby reducing the mutual information between the input and latent features. We conduct extensive experiments to evaluate our approach's robustness against state-of-the-art adversarial attackers such as PGD-attack and AutoAttack. Our experimental results demonstrate the effectiveness of our approach in significantly improving adversarial robustness. Our code is available at https://github.com/SkyKuang/IBD.Submission Number: 1797
Slimmed Asymmetrical Contrastive Learning and Cross Distillation for Lightweight Model Training
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Contrastive learning (CL) has been widely investigated with various learning mechanisms and achieves strong capability in learning representations of data in a self-supervised manner using unlabeled data. A common fashion of contrastive learning on this line is employing mega-sized encoders to achieve comparable performance as the supervised learning counterpart. Despite the success of the labelless training, current contrastive learning algorithms *failed* to achieve good performance with lightweight (compact) models, e.g., MobileNet, while the requirements of the heavy encoders impede the energy-efficient computation, especially for resource-constrained AI applications. Motivated by this, we propose a new self-supervised CL scheme, named SACL-XD, consisting of two technical components, **S**limmed **A**symmetrical **C**ontrastive **L**earning (SACL) and **Cross**-**D**istillation (XD), which collectively enable efficient CL with compact models. While relevant prior works employed a strong pre-trained model as the teacher of unsupervised knowledge distillation to a lightweight encoder, our proposed method trains CL models from scratch and outperforms them even without such an expensive requirement. Compared to the SoTA lightweight CL training (distillation) algorithms, SACL-XD achieves 1.79% ImageNet-1K accuracy improvement on MobileNet-V3 with 64$\times$ training FLOPs reduction.
Theoretical Analysis of the Inductive Biases in Deep Convolutional Networks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In this paper, we provide a theoretical analysis of the inductive biases in convolutional neural networks (CNNs). We start by examining the universality of CNNs, i.e., the ability to approximate any continuous functions.  We prove that a depth of $\mathcal{O}(\log d)$ suffices for deep CNNs to achieve this universality, where $d$ in the input dimension.  Additionally, we establish  that learning sparse functions with  CNNs requires only $\widetilde{\mathcal{O}}(\log^2d)$ samples, indicating that deep CNNs can efficiently capture {\em long-range} sparse correlations. These results are made possible through a novel combination of the multichanneling and downsampling when increasing the network depth. 

We also delve into the distinct roles  of weight sharing and locality in CNNs. To this end, we compare the performance of CNNs, locally-connected networks (LCNs), and fully-connected networks (FCNs) on a simple regression task, where LCNs can be viewed as CNNs without weight sharing. On the one hand,  we  prove that LCNs require ${\Omega}(d)$ samples while CNNs need only $\widetilde{\mathcal{O}}(\log^2d)$ samples,  highlighting the  critical role of weight sharing. On the other hand, we prove that FCNs require $\Omega(d^2)$ samples, whereas LCNs need only $\widetilde{\mathcal{O}}(d)$ samples,  underscoring the importance  of locality. These provable separations quantify the difference between the two biases, and the major observation behind our proof is that weight sharing and locality break different symmetries in the learning process.Submission Number: 7164
Analysis of Variance of Multiple Causal Networks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Constructing a directed cyclic graph (DCG) is challenged by both algorithmic difficulty and computational burden. Comparing multiple DCGs is even more difficult, compounded by the need of identifying variational causalities across graphs. We propose to unify multiple DCGs with a single structural model and develop a limited-information-based method to simultaneously construct multiple networks and infer their disparities, which can be visualized by appropriate correspondence analysis. The algorithm provides DCGs with robust non-asymptotic theoretical properties. It is designed with two sequential stages, each of which involves parallel computation tasks that are scalable to the network complexity. Taking advantage of high-performance clusters, our method makes it possible to evaluate the statistical significance of DCGs using the bootstrap method. We demonstrated the effectiveness of our method by applying it to synthetic and real datasets.