NeurIPS 2023 论文列表

We explore the matrix sensing problem from near-isotropic linear measurements, distributed across a network of agents modeled as an undirected graph, with no centralized node. We provide the first study of statistical, computational/communication guarantees for a decentralized gradient algorithm that solves the (nonconvex) Burer-Monteiro type decomposition associated to the low-rank matrix estimation. With small random initialization, the algorithm displays an approximate two-phase convergence: (i) a spectral phase that aligns the iterates' column space with the underlying low-rank matrix, mimicking centralized spectral initialization (not directly implementable over networks); and (ii) a local refinement phase that diverts the iterates from certain degenerate saddle points, while ensuring swift convergence to the underlying low-rank matrix. Central to our analysis is a novel "in-network" Restricted Isometry Property which accommodates for the decentralized nature of the optimization, revealing an intriguing interplay between sample complexity and network connectivity, topology, and communication complexity.

Recent advancements in vision foundation models (VFMs) have opened up new possibilities for versatile and efficient visual perception. In this work, we introduce Seal, a novel framework that harnesses VFMs for segmenting diverse automotive point cloud sequences. Seal exhibits three appealing properties: i) Scalability: VFMs are directly distilled into point clouds, obviating the need for annotations in either 2D or 3D during pretraining. ii) Consistency: Spatial and temporal relationships are enforced at both the camera-to-LiDAR and point-to-segment regularization stages, facilitating cross-modal representation learning. iii) Generalizability: Seal enables knowledge transfer in an off-the-shelf manner to downstream tasks involving diverse point clouds, including those from real/synthetic, low/high-resolution, large/small-scale, and clean/corrupted datasets. Extensive experiments conducted on eleven different point cloud datasets showcase the effectiveness and superiority of Seal. Notably, Seal achieves a remarkable 45.0% mIoU on nuScenes after linear probing, surpassing random initialization by 36.9% mIoU and outperforming prior arts by 6.1% mIoU. Moreover, Seal demonstrates significant performance gains over existing methods across 20 different few-shot fine-tuning tasks on all eleven tested point cloud datasets. The code is available at this link.

A well-known numerical bottleneck in the differentially-private stochastic gradient descent (DP-SGD) algorithm is the computation of the gradient norm for each example in a large input batch. When the loss function in DP-SGD is consists of an intermediate linear operation, existing methods in the literature have proposed decompositions of gradients that are amenable to fast norm computations. In this paper, we present a framework that generalizes the above approach to arbitrary (possibly nonlinear) intermediate operations. Moreover, we show that for certain operations, such as fully-connected and embedding layer computations, further improvements to the runtime and storage costs of existing decompositions can be deduced using certain components of our framework. Finally, preliminary numerical experiments are given to demonstrate the substantial effects of the aforementioned improvements.

We present a novel approach to non-convex optimization with certificates, which handles smooth functions on the hypercube or on the torus. Unlike traditional methods that rely on algebraic properties, our algorithm exploits the regularity of the target function intrinsic in the decay of its Fourier spectrum. By defining a tractable family of models, we allow {\em at the same time} to obtain precise certificates and to leverage the advanced and powerful computational techniques developed to optimize neural networks. In this way the scalability of our approach is naturally enhanced by parallel computing with GPUs. Our approach, when applied to the case of polynomials of moderate dimensions but with thousands of coefficients, outperforms the state-of-the-art optimization methods with certificates, as the ones based on Lasserre's hierarchy, addressing problems intractable for the competitors.

State-space models have gained popularity in sequence modelling due to their simple and efficient network structures. However, the absence of nonlinear activation along the temporal direction limits the model's capacity. In this paper, we prove that stacking state-space models with layer-wise nonlinear activation is sufficient to approximate any continuous sequence-to-sequence relationship. Our findings demonstrate that the addition of layer-wise nonlinear activation enhances the model's capacity to learn complex sequence patterns. Meanwhile, it can be seen both theoretically and empirically that the state-space models do not fundamentally resolve the issue of exponential decaying memory. Theoretical results are justified by numerical verifications.

When interacting with people, AI agents do not just influence the state of the world -- they also influence the actions people take in response to the agent, and even their underlying intentions and strategies. Accounting for and leveraging this influence has mostly been studied in settings where it is sufficient to assume that human behavior is near-optimal: competitive games, or general-sum settings like autonomous driving alongside human drivers. Instead, we focus on influence in settings where there is a need to capture human suboptimality. For instance, imagine a collaborative task in which, due either to cognitive biases or lack of information, people do not perform very well -- how could an agent influence them towards more optimal behavior? Assuming near-optimal human behavior will not work here, and so the agent needs to learn from real human data. But experimenting online with humans is potentially unsafe, and creating a high-fidelity simulator of the environment is often impractical. Hence, we focus on learning from an offline dataset of human-human interactions. Our observation is that offline reinforcement learning (RL) can learn to effectively influence suboptimal humans by extending and combining elements of observed human-human behavior. We demonstrate that offline RL can solve two challenges with effective influence. First, we show that by learning from a dataset of suboptimal human-human interaction on a variety of tasks -- none of which contains examples of successful influence -- an agent can learn influence strategies to steer humans towards better performance even on new tasks. Second, we show that by also modeling and conditioning on human behavior, offline RL can learn to affect not just the human's actions but also their underlying strategy, and adapt to changes in their strategy.

Continual learning (CL) aims to incrementally learn multiple tasks that are presented sequentially. The significance of CL lies not only in the practical importance but also in studying the learning mechanisms of humans who are excellent continual learners. While most research on CL has been done on structured data such as images, there is a lack of research on CL for abstract logical concepts such as counting, sorting, and arithmetic, which humans learn gradually over time in the real world. In this work, for the first time, we introduce novel algorithmic reasoning (AR) methodology for continual tasks of abstract concepts: CLeAR. Our methodology proposes a one-to-many mapping of input distribution to a shared mapping space, which allows the alignment of various tasks of different dimensions and shared semantics. Our tasks of abstract logical concepts, in the form of formal language, can be classified into Chomsky hierarchies based on their difficulty. In this study, we conducted extensive experiments consisting of 15 tasks with various levels of Chomsky hierarchy, ranging from in-hierarchy to inter-hierarchy scenarios. CLeAR not only achieved near zero forgetting but also improved accuracy during following tasks, a phenomenon known as backward transfer, while previous CL methods designed for image classification drastically failed.

This paper considers contrastive training for cross-modal 0-shot transfer wherein a pre-trained model in one modality is used for representation learning in another domain using pairwise data. The learnt models in the latter domain can then be used for a diverse set of tasks in a 0-shot way, similar to Contrastive Language-Image Pre-training (CLIP) and Locked-image Tuning (LiT) that have recently gained considerable attention. Classical contrastive training employs sets of positive and negative examples to align similar and repel dissimilar training data samples. However, similarity amongst training examples has a more continuous nature, thus calling for a more `non-binary' treatment. To address this, we propose a new contrastive loss function called Continuously Weighted Contrastive Loss (CWCL) that employs a continuous measure of similarity. With CWCL, we seek to transfer the structure of the embedding space from one modality to another. Owing to the continuous nature of similarity in the proposed loss function, these models outperform existing methods for 0-shot transfer across multiple models, datasets and modalities. By using publicly available datasets, we achieve 5-8% (absolute) improvement over previous state-of-the-art methods in 0-shot image classification and 20-30% (absolute) improvement in 0-shot speech-to-intent classification and keyword classification.

All organisms make temporal predictions, and their evolutionary fitness level depends on the accuracy of these predictions. In the context of visual perception, the motions of both the observer and objects in the scene structure the dynamics of sensory signals, allowing for partial prediction of future signals based on past ones. Here, we propose a self-supervised representation-learning framework that extracts and exploits the regularities of natural videos to compute accurate predictions. We motivate the polar architecture by appealing to the Fourier shift theorem and its group-theoretic generalization, and we optimize its parameters on next-frame prediction. Through controlled experiments, we demonstrate that this approach can discover the representation of simple transformation groups acting in data. When trained on natural video datasets, our framework achieves better prediction performance than traditional motion compensation and rivals conventional deep networks, while maintaining interpretability and speed. Furthermore, the polar computations can be restructured into components resembling normalized simple and direction-selective complex cell models of primate V1 neurons. Thus, polar prediction offers a principled framework for understanding how the visual system represents sensory inputs in a form that simplifies temporal prediction.

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.

Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.

Continual learning (CL) aims to train deep neural networks efficiently on streaming data while limiting the forgetting caused by new tasks. However, learning transferable knowledge with less interference between tasks is difficult, and real-world deployment of CL models is limited by their inability to measure predictive uncertainties. To address these issues, we propose handling CL tasks with neural processes (NPs), a class of meta-learners that encode different tasks into probabilistic distributions over functions all while providing reliable uncertainty estimates. Specifically, we propose an NP-based CL approach (NPCL) with task-specific modules arranged in a hierarchical latent variable model. We tailor regularizers on the learned latent distributions to alleviate forgetting. The uncertainty estimation capabilities of the NPCL can also be used to handle the task head/module inference challenge in CL. Our experiments show that the NPCL outperforms previous CL approaches. We validate the effectiveness of uncertainty estimation in the NPCL for identifying novel data and evaluating instance-level model confidence. Code is available at https://github.com/srvCodes/NPCL.

Popular metrics for clustering comparison, like the Adjusted Rand Index and the Adjusted Mutual Information, are type II biased. The Standardized Mutual Information removes this bias but suffers from counterintuitive non-monotonicity and poor computational efficiency. We introduce the $p$-value adjusted Rand Index ($\operatorname{PMI}_2$), the first cluster comparison method that is type II unbiased and provably monotonous. The $\operatorname{PMI}_2$ has fast approximations that outperform the Standardized Mutual information. We demonstrate its unbiased clustering selection, approximation quality, and runtime efficiency on synthetic benchmarks. In experiments on image and social network datasets, we show how the $\operatorname{PMI}_2$ can help practitioners choose better clustering and community detection algorithms.

High-dimensional mediation analysis is often associated with a multiple testing problem for detecting significant mediators. Assessing the uncertainty of this detecting process via false discovery rate (FDR) has garnered great interest. To control the FDR in multiple testing, two essential steps are involved: ranking and selection. Existing approaches either construct p-values without calibration or disregard the joint information across tests, leading to conservation in FDR control or non-optimal ranking rules for multiple hypotheses. In this paper, we develop an adaptive mediation detection procedure (referred to as "AMDP") to identify relevant mediators while asymptotically controlling the FDR in high-dimensional mediation analysis. AMDP produces the optimal rule for ranking hypotheses and proposes a data-driven strategy to determine the threshold for mediator selection. This novel method captures information from the proportions of composite null hypotheses and the distribution of p-values, which turns the high dimensionality into an advantage instead of a limitation. The numerical studies on synthetic and real data sets illustrate the performances of AMDP compared with existing approaches.

Diffusion probabilistic models (DPMs) have demonstrated a very promising ability in high-resolution image synthesis. However, sampling from a pre-trained DPM is time-consuming due to the multiple evaluations of the denoising network, making it more and more important to accelerate the sampling of DPMs. Despite recent progress in designing fast samplers, existing methods still cannot generate satisfying images in many applications where fewer steps (e.g., $<$10) are favored. In this paper, we develop a unified corrector (UniC) that can be applied after any existing DPM sampler to increase the order of accuracy without extra model evaluations, and derive a unified predictor (UniP) that supports arbitrary order as a byproduct. Combining UniP and UniC, we propose a unified predictor-corrector framework called UniPC for the fast sampling of DPMs, which has a unified analytical form for any order and can significantly improve the sampling quality over previous methods, especially in extremely few steps. We evaluate our methods through extensive experiments including both unconditional and conditional sampling using pixel-space and latent-space DPMs. Our UniPC can achieve 3.87 FID on CIFAR10 (unconditional) and 7.51 FID on ImageNet 256$\times$256 (conditional) with only 10 function evaluations. Code is available at https://github.com/wl-zhao/UniPC.

Above Ground Biomass is an important variable as forests play a crucial role in mitigating climate change as they act as an efficient, natural and cost-effective carbon sink. Traditional field and airborne LiDAR measurements have been proven to provide reliable estimations of forest biomass. Nevertheless, the use of these techniques at a large scale can be challenging and expensive. Satellite data have been widely used as a valuable tool in estimating biomass on a global scale. However, the full potential of dense multi-modal satellite time series data, in combination with modern deep learning approaches, has yet to be fully explored. The aim of the "BioMassters" data challenge and benchmark dataset is to investigate the potential of multi-modal satellite data (Sentinel-1 SAR and Sentinel-2 MSI) to estimate forest biomass at a large scale using the Finnish Forest Centre's open forest and nature airborne LiDAR data as a reference. The performance of the top three baseline models shows the potential of deep learning to produce accurate and higher-resolution biomass maps. Our benchmark dataset is publically available at https://huggingface.co/datasets/nascetti-a/BioMassters (doi:10.57967/hf/1009) and the implementation of the top three winning models are available at https://github.com/drivendataorg/the-biomassters.

As semiconductor devices become miniaturized and their structures become more complex, there is a growing need for large-scale atomic-level simulations as a less costly alternative to the trial-and-error approach during development. Although machine learning force fields (MLFFs) can meet the accuracy and scale requirements for such simulations, there are no open-access benchmarks for semiconductor materials. Hence, this study presents a comprehensive benchmark suite that consists of two semiconductor material datasets and ten MLFF models with six evaluation metrics. We select two important semiconductor thin-film materials silicon nitride and hafnium oxide, and generate their datasets using computationally expensive density functional theory simulations under various scenarios at a cost of 2.6k GPU days. Additionally, we provide a variety of architectures as baselines: descriptor-based fully connected neural networks and graph neural networks with rotational invariant or equivariant features. We assess not only the accuracy of energy and force predictions but also five additional simulation indicators to determine the practical applicability of MLFF models in molecular dynamics simulations. To facilitate further research, our benchmark suite is available at https://github.com/SAITPublic/MLFF-Framework.

Formally verifying deep reinforcement learning (DRL) systems suffers from both inaccurate verification results and limited scalability. The major obstacle lies in the large overestimation introduced inherently during training and then transforming the inexplicable decision-making models, i.e., deep neural networks (DNNs), into easy-to-verify models. In this paper, we propose an inverse transform-then-train approach, which first encodes a DNN into an equivalent set of efficiently and tightly verifiable linear control policies and then optimizes them via reinforcement learning. We accompany our inverse approach with a novel neural network model called piece-wise linear decision neural networks (PLDNNs), which are compatible with most existing DRL training algorithms with comparable performance against conventional DNNs. Our extensive experiments show that, compared to DNN-based DRL systems, PLDNN-based systems can be more efficiently and tightly verified with up to $438$ times speedup and a significant reduction in overestimation. In particular, even a complex $12$-dimensional DRL system is efficiently verified with up to 7 times deeper computation steps.

The development of very large-scale integration (VLSI) technology has posed new challenges for electronic design automation (EDA) techniques in chip floorplanning. During this process, macro placement is an important subproblem, which tries to determine the positions of all macros with the aim of minimizing half-perimeter wirelength (HPWL) and avoiding overlapping. Previous methods include packing-based, analytical and reinforcement learning methods. In this paper, we propose a new black-box optimization (BBO) framework (called WireMask-BBO) for macro placement, by using a wire-mask-guided greedy procedure for objective evaluation. Equipped with different BBO algorithms, WireMask-BBO empirically achieves significant improvements over previous methods, i.e., achieves significantly shorter HPWL by using much less time. Furthermore, it can fine-tune existing placements by treating them as initial solutions, which can bring up to 50% improvement in HPWL. WireMask-BBO has the potential to significantly improve the quality and efficiency of chip floorplanning, which makes it appealing to researchers and practitioners in EDA and will also promote the application of BBO. Our code is available at https://github.com/lamda-bbo/WireMask-BBO.