NeurIPS 2023 Papers

Co-occurrent visual patterns suggest that pixel relation modeling facilitates dense prediction tasks, which inspires the development of numerous context modeling paradigms, \emph{e.g.}, multi-scale-driven and similarity-driven context schemes. Despite the impressive results, these existing paradigms often suffer from inadequate or ineffective contextual information aggregation due to reliance on large amounts of predetermined priors. To alleviate the issues, we propose a novel \textbf{I}ntervention-\textbf{D}riven \textbf{R}elation \textbf{Net}work (\textbf{IDRNet}), which leverages a deletion diagnostics procedure to guide the modeling of contextual relations among different pixels. Specifically, we first group pixel-level representations into semantic-level representations with the guidance of pseudo labels and further improve the distinguishability of the grouped representations with a feature enhancement module. Next, a deletion diagnostics procedure is conducted to model relations of these semantic-level representations via perceiving the network outputs and the extracted relations are utilized to guide the semantic-level representations to interact with each other. Finally, the interacted representations are utilized to augment original pixel-level representations for final predictions. Extensive experiments are conducted to validate the effectiveness of IDRNet quantitatively and qualitatively. Notably, our intervention-driven context scheme brings consistent performance improvements to state-of-the-art segmentation frameworks and achieves competitive results on popular benchmark datasets, including ADE20K, COCO-Stuff, PASCAL-Context, LIP, and Cityscapes.

As the size of circuit designs continues to grow rapidly, artificial intelligence technologies are being extensively used in Electronic Design Automation (EDA) to assist with circuit design. Placement and routing are the most time-consuming parts of the physical design process, and how to quickly evaluate the placement has become a hot research topic. Prior works either transformed circuit designs into images using hand-crafted methods and then used Convolutional Neural Networks (CNN) to extract features, which are limited by the quality of the hand-crafted methods and could not achieve end-to-end training, or treated the circuit design as a graph structure and used Graph Neural Networks (GNN) to extract features, which require time-consuming preprocessing. In our work, we propose a novel perspective for circuit design by treating circuit components as point clouds and using Transformer-based point cloud perception methods to extract features from the circuit. This approach enables direct feature extraction from raw data without any preprocessing, allows for end-to-end training, and results in high performance. Experimental results show that our method achieves state-of-the-art performance in congestion prediction tasks on both the CircuitNet and ISPD2015 datasets, as well as in design rule check (DRC) violation prediction tasks on the CircuitNet dataset. Our method establishes a bridge between the relatively mature point cloud perception methods and the fast-developing EDA algorithms, enabling us to leverage more collective intelligence to solve this task. To facilitate the research of open EDA design, source codes and pre-trained models are released at https://github.com/hustvl/circuitformer.

We provide novel information-theoretic generalization bounds for stochastic gradient Langevin dynamics (SGLD) under the assumptions of smoothness and dissipativity, which are widely used in sampling and non-convex optimization studies. Our bounds are time-independent and decay to zero as the sample size increases, regardless of the number of iterations and whether the step size is fixed. Unlike previous studies, we derive the generalization error bounds by focusing on the time evolution of the Kullback--Leibler divergence, which is related to the stability of datasets and is the upper bound of the mutual information between output parameters and an input dataset. Additionally, we establish the first information-theoretic generalization bound when the training and test loss are the same by showing that a loss function of SGLD is sub-exponential. This bound is also time-independent and removes the problematic step size dependence in existing work, leading to an improved excess risk bound by combining our analysis with the existing non-convex optimization error bounds.

Pre-trained large text-to-image models synthesize impressive images with an appropriate use of text prompts. However, ambiguities inherent in natural language, and out-of-distribution effects make it hard to synthesize arbitrary image styles, leveraging a specific design pattern, texture or material. In this paper, we introduce *StyleDrop*, a method that enables the synthesis of images that faithfully follow a specific style using a text-to-image model. StyleDrop is extremely versatile and captures nuances and details of a user-provided style, such as color schemes, shading, design patterns, and local and global effects. StyleDrop works by efficiently learning a new style by fine-tuning very few trainable parameters (less than 1\% of total model parameters), and improving the quality via iterative training with either human or automated feedback. Better yet, StyleDrop is able to deliver impressive results even when the user supplies only a *single* image specifying the desired style. An extensive study shows that, for the task of style tuning text-to-image models, StyleDrop on Muse convincingly outperforms other methods, including DreamBooth and textual inversion on Imagen or Stable Diffusion. More results are available at our project website: [https://styledrop.github.io](https://styledrop.github.io).

This paper advocates a new paradigm Personalized Empirical Risk Minimization (PERM) to facilitate learning from heterogeneous data sources without imposing stringent constraints on computational resources shared by participating devices. In PERM, we aim at learning a distinct model for each client by personalizing the aggregation of local empirical losses by effectively estimating the statistical discrepancy among data distributions, which entails optimal statistical accuracy for all local distributions and overcomes the data heterogeneity issue. To learn personalized models at scale, we propose a distributed algorithm that replaces the standard model averaging with model shuffling to simultaneously optimize PERM objectives for all devices. This also allows to learn distinct model architectures (e.g., neural networks with different number of parameters) for different clients, thus confining to underlying memory and compute resources of individual clients. We rigorously analyze the convergence of proposed algorithm and conduct experiments that corroborates the effectiveness of proposed paradigm.

For speaker recognition, it is difficult to extract an accurate speaker representation from speech because of its mixture of speaker traits and content. This paper proposes a disentanglement framework that simultaneously models speaker traits and content variability in speech. It is realized with the use of three Gaussian inference layers, each consisting of a learnable transition model that extracts distinct speech components. Notably, a strengthened transition model is specifically designed to model complex speech dynamics. We also propose a self-supervision method to dynamically disentangle content without the use of labels other than speaker identities. The efficacy of the proposed framework is validated via experiments conducted on the VoxCeleb and SITW datasets with 9.56\% and 8.24\% average reductions in EER and minDCF, respectively. Since neither additional model training nor data is specifically needed, it is easily applicable in practical use.

Estimating camera motion in deformable scenes poses a complex and open research challenge. Most existing non-rigid structure from motion techniques assume to observe also static scene parts besides deforming scene parts in order to establish an anchoring reference. However, this assumption does not hold true in certain relevant application cases such as endoscopies. Deformable odometry and SLAM pipelines, which tackle the most challenging scenario of exploratory trajectories, suffer from a lack of robustness and proper quantitative evaluation methodologies. To tackle this issue with a common benchmark, we introduce the Drunkard's Dataset, a challenging collection of synthetic data targeting visual navigation and reconstruction in deformable environments. This dataset is the first large set of exploratory camera trajectories with ground truth inside 3D scenes where every surface exhibits non-rigid deformations over time. Simulations in realistic 3D buildings lets us obtain a vast amount of data and ground truth labels, including camera poses, RGB images and depth, optical flow and normal maps at high resolution and quality. We further present a novel deformable odometry method, dubbed the Drunkard’s Odometry, which decomposes optical flow estimates into rigid-body camera motion and non-rigid scene deformations. In order to validate our data, our work contains an evaluation of several baselines as well as a novel tracking error metric which does not require ground truth data. Dataset and code: https://davidrecasens.github.io/TheDrunkard'sOdometry/

Distribution shift (DS) may have two levels: the distribution itself changes, and the support (i.e., the set where the probability density is non-zero) also changes. When considering the support change between the training and test distributions, there can be four cases: (i) they exactly match; (ii) the training support is wider (and thus covers the test support); (iii) the test support is wider; (iv) they partially overlap. Existing methods are good at cases (i) and (ii), while cases (iii) and (iv) are more common nowadays but still under-explored. In this paper, we generalize importance weighting (IW), a golden solver for cases (i) and (ii), to a universal solver for all cases. Specifically, we first investigate why IW might fail in cases (iii) and (iv); based on the findings, we propose generalized IW (GIW) that could handle cases (iii) and (iv) and would reduce to IW in cases (i) and (ii). In GIW, the test support is split into an in-training (IT) part and an out-of-training (OOT) part, and the expected risk is decomposed into a weighted classification term over the IT part and a standard classification term over the OOT part, which guarantees the risk consistency of GIW. Then, the implementation of GIW consists of three components: (a) the split of validation data is carried out by the one-class support vector machine, (b) the first term of the empirical risk can be handled by any IW algorithm given training data and IT validation data, and (c) the second term just involves OOT validation data. Experiments demonstrate that GIW is a universal solver for DS problems, outperforming IW methods in cases (iii) and (iv).

Variance-Invariance-Covariance Regularization (VICReg) is a self-supervised learning (SSL) method that has shown promising results on a variety of tasks. However, the fundamental mechanisms underlying VICReg remain unexplored. In this paper, we present an information-theoretic perspective on the VICReg objective. We begin by deriving information-theoretic quantities for deterministic networks as an alternative to unrealistic stochastic network assumptions. We then relate the optimization of the VICReg objective to mutual information optimization, highlighting underlying assumptions and facilitating a constructive comparison with other SSL algorithms and derive a generalization bound for VICReg, revealing its inherent advantages for downstream tasks. Building on these results, we introduce a family of SSL methods derived from information-theoretic principles that outperform existing SSL techniques.

Research on adversarial robustness is primarily focused on image and text data. Yet, many scenarios in which lack of robustness can result in serious risks, such as fraud detection, medical diagnosis, or recommender systems often do not rely on images or text but instead on tabular data. Adversarial robustness in tabular data poses two serious challenges. First, tabular datasets often contain categorical features, and therefore cannot be tackled directly with existing optimization procedures. Second, in the tabular domain, algorithms that are not based on deep networks are widely used and offer great performance, but algorithms to enhance robustness are tailored to neural networks (e.g. adversarial training). In this paper, we tackle both challenges. We present a method that allows us to train adversarially robust deep networks for tabular data and to transfer this robustness to other classifiers via universal robust embeddings tailored to categorical data. These embeddings, created using a bilevel alternating minimization framework, can be transferred to boosted trees or random forests making them robust without the need for adversarial training while preserving their high accuracy on tabular data. We show that our methods outperform existing techniques within a practical threat model suitable for tabular data.

This paper focuses on supervised and unsupervised online label shift, where the class marginals $Q(y)$ varies but the class-conditionals $Q(x|y)$ remain invariant. In the unsupervised setting, our goal is to adapt a learner, trained on some offline labeled data, to changing label distributions given unlabeled online data. In the supervised setting, we must both learn a classifier and adapt to the dynamically evolving class marginals given only labeled online data. We develop novel algorithms that reduce the adaptation problem to online regression and guarantee optimal dynamic regret without any prior knowledge of the extent of drift in the label distribution. Our solution is based on bootstrapping the estimates of *online regression oracles* that track the drifting proportions. Experiments across numerous simulated and real-world online label shift scenarios demonstrate the superior performance of our proposed approaches, often achieving 1-3% improvement in accuracy while being sample and computationally efficient. Code is publicly available at https://github.com/Anon-djiwh/OnlineLabelShift

Detecting unseen instances based on multi-view templates is a challenging problem due to its open-world nature. Traditional methodologies, which primarily rely on $2 \mathrm{D}$ representations and matching techniques, are often inadequate in handling pose variations and occlusions. To solve this, we introduce VoxDet, a pioneer 3D geometry-aware framework that fully utilizes the strong 3D voxel representation and reliable voxel matching mechanism. VoxDet first ingeniously proposes template voxel aggregation (TVA) module, effectively transforming multi-view 2D images into 3D voxel features. By leveraging associated camera poses, these features are aggregated into a compact 3D template voxel. In novel instance detection, this voxel representation demonstrates heightened resilience to occlusion and pose variations. We also discover that a $3 \mathrm{D}$ reconstruction objective helps to pre-train the 2D-3D mapping in TVA. Second, to quickly align with the template voxel, VoxDet incorporates a Query Voxel Matching (QVM) module. The 2D queries are first converted into their voxel representation with the learned 2D-3D mapping. We find that since the 3D voxel representations encode the geometry, we can first estimate the relative rotation and then compare the aligned voxels, leading to improved accuracy and efficiency. In addition to method, we also introduce the first instance detection benchmark, RoboTools, where 20 unique instances are video-recorded with camera extrinsic. RoboTools also provides 24 challenging cluttered scenarios with more than $9 \mathrm{k}$ box annotations. Exhaustive experiments are conducted on the demanding LineMod-Occlusion, YCB-video, and RoboTools benchmarks, where VoxDet outperforms various $2 \mathrm{D}$ baselines remarkably with faster speed. To the best of our knowledge, VoxDet is the first to incorporate implicit 3D knowledge for 2D novel instance detection tasks.

Oversmoothing in Graph Neural Networks (GNNs) refers to the phenomenon where increasing network depth leads to homogeneous node representations. While previous work has established that Graph Convolutional Networks (GCNs) exponentially lose expressive power, it remains controversial whether the graph attention mechanism can mitigate oversmoothing. In this work, we provide a definitive answer to this question through a rigorous mathematical analysis, by viewing attention-based GNNs as nonlinear time-varying dynamical systems and incorporating tools and techniques from the theory of products of inhomogeneous matrices and the joint spectral radius. We establish that, contrary to popular belief, the graph attention mechanism cannot prevent oversmoothing and loses expressive power exponentially. The proposed framework extends the existing results on oversmoothing for symmetric GCNs to a significantly broader class of GNN models, including random walk GCNs, Graph Attention Networks (GATs) and (graph) transformers. In particular, our analysis accounts for asymmetric, state-dependent and time-varying aggregation operators and a wide range of common nonlinear activation functions, such as ReLU, LeakyReLU, GELU and SiLU.

We provide new algorithms and conditional hardness for the problem of estimating effective resistances in $n$-node $m$-edge undirected, expander graphs. We provide an $\widetilde{O}(m\epsilon^{-1})$-time algorithm that produces with high probability, an $\widetilde{O}(n\epsilon^{-1})$-bit sketch from which the effective resistance between any pair of nodes can be estimated, to $(1 \pm \epsilon)$-multiplicative accuracy, in $\widetilde{O}(1)$-time. Consequently, we obtain an $\widetilde{O}(m\epsilon^{-1})$-time algorithm for estimating the effective resistance of all edges in such graphs, improving (for sparse graphs) on the previous fastest runtimes of $\widetilde{O}(m\epsilon^{-3/2})$ [Chu et. al. 2018] and $\widetilde{O}(n^2\epsilon^{-1})$ [Jambulapati, Sidford, 2018] for general graphs and $\widetilde{O}(m + n\epsilon^{-2})$ for expanders [Li, Sachdeva 2022]. We complement this result by showing a conditional lower bound that a broad set of algorithms for computing such estimates of the effective resistances between all pairs of nodes require $\widetilde{\Omega}(n^2 \epsilon^{-1/2})$-time, improving upon the previous best such lower bound of $\widetilde{\Omega}(n^2 \epsilon^{-1/13})$ [Musco et. al. 2017]. Further, we leverage the tools underlying these results to obtain improved algorithms and conditional hardness for more general problems of sketching the pseudoinverse of positive semidefinite matrices and estimating functions of their eigenvalues.

Deep neural networks are known to be vulnerable to adversarial attacks (AA). For an image recognition task, this means that a small perturbation of the original can result in the image being misclassified. Design of such attacks as well as methods of adversarial training against them are subject of intense research. We re-cast the problem using techniques of Wasserstein distributionally robust optimization (DRO) and obtain novel contributions leveraging recent insights from DRO sensitivity analysis. We consider a set of distributional threat models. Unlike the traditional pointwise attacks, which assume a uniform bound on perturbation of each input data point, distributional threat models allow attackers to perturb inputs in a non-uniform way. We link these more general attacks with questions of out-of-sample performance and Knightian uncertainty. To evaluate the distributional robustness of neural networks, we propose a first-order AA algorithm and its multistep version. Our attack algorithms include Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD) as special cases. Furthermore, we provide a new asymptotic estimate of the adversarial accuracy against distributional threat models. The bound is fast to compute and first-order accurate, offering new insights even for the pointwise AA. It also naturally yields out-of-sample performance guarantees. We conduct numerical experiments on CIFAR-10, CIFAR-100, ImageNet datasets using DNNs on RobustBench to illustrate our theoretical results. Our code is available at https://github.com/JanObloj/W-DRO-Adversarial-Methods.

Graph Neural Networks (GNNs) have received significant attention recently, but training them at a large scale remains a challenge. Mini-batch training coupled with sampling is used to alleviate this challenge. However, existing approaches either suffer from the neighborhood explosion phenomenon or have suboptimal performance. To address these issues, we propose a new sampling algorithm called LAyer-neighBOR sampling (LABOR). It is designed to be a direct replacement for Neighbor Sampling (NS) with the same fanout hyperparameter while sampling up to 7 times fewer vertices, without sacrificing quality. By design, the variance of the estimator of each vertex matches NS from the point of view of a single vertex. Moreover, under the same vertex sampling budget constraints, LABOR converges faster than existing layer sampling approaches and can use up to 112 times larger batch sizes compared to NS.

Transformers have emerged as the cornerstone of state-of-the-art natural language processing models, showcasing exceptional performance across a wide range of AI applications. However, the memory demands posed by the self-attention mechanism and the large feedforward network in Transformers limit their ability to handle long sequences, thereby creating challenges for tasks involving multiple long sequences or long-term dependencies. We present a distinct approach, Blockwise Parallel Transformer (BPT), that leverages blockwise computation of self-attention and feedforward network fusion to minimize memory costs. By processing longer input sequences while maintaining memory efficiency, BPT enables training sequences 32 times longer than vanilla Transformers and up to 4 times longer than previous memory-efficient methods. Extensive experiments on language modeling and reinforcement learning tasks demonstrate the effectiveness of BPT in reducing memory requirements and improving performance.

Temporal difference (TD) learning is often used to update the estimate of the value function which is used by RL agents to extract useful policies. In this paper, we focus on value function estimation in continual reinforcement learning. We propose to decompose the value function into two components which update at different timescales: a _permanent_ value function, which holds general knowledge that persists over time, and a _transient_ value function, which allows quick adaptation to new situations. We establish theoretical results showing that our approach is well suited for continual learning and draw connections to the complementary learning systems (CLS) theory from neuroscience. Empirically, this approach improves performance significantly on both prediction and control problems.

We introduce MLFMF, a collection of data sets for benchmarking recommendation systems used to support formalization of mathematics with proof assistants. These systems help humans identify which previous entries (theorems, constructions, datatypes, and postulates) are relevant in proving a new theorem or carrying out a new construction. Each data set is derived from a library of formalized mathematics written in proof assistants Agda or Lean. The collection includes the largest Lean 4 library Mathlib, and some of the largest Agda libraries: the standard library, the library of univalent mathematics Agda-unimath, and the TypeTopology library. Each data set represents the corresponding library in two ways: as a heterogeneous network, and as a list of s-expressions representing the syntax trees of all the entries in the library. The network contains the (modular) structure of the library and the references between entries, while the s-expressions give complete and easily parsed information about every entry. We report baseline results using standard graph and word embeddings, tree ensembles, and instance-based learning algorithms. The MLFMF data sets provide solid benchmarking support for further investigation of the numerous machine learning approaches to formalized mathematics. The methodology used to extract the networks and the s-expressions readily applies to other libraries, and is applicable to other proof assistants. With more than $250\,000$ entries in total, this is currently the largest collection of formalized mathematical knowledge in machine learnable format.