NeurIPS 2022 论文列表

We propose Neural-DynamicReconstruction (NDR), a template-free method to recover high-fidelity geometry and motions of a dynamic scene from a monocular RGB-D camera. In NDR, we adopt the neural implicit function for surface representation and rendering such that the captured color and depth can be fully utilized to jointly optimize the surface and deformations. To represent and constrain the non-rigid deformations, we propose a novel neural invertible deforming network such that the cycle consistency between arbitrary two frames is automatically satisfied. Considering that the surface topology of dynamic scene might change over time, we employ a topology-aware strategy to construct the topology-variant correspondence for the fused frames. NDR also further refines the camera poses in a global optimization manner. Experiments on public datasets and our collected dataset demonstrate that NDR outperforms existing monocular dynamic reconstruction methods.

Hyperdimensional computing (HDC) is an emerging learning paradigm that computes with high dimensional binary vectors. There is an active line of research on HDC in the community of emerging hardware because of its energy efficiency and ultra-low latency---but HDC suffers from low model accuracy, with little theoretical understanding of what limits its performance. We propose a new theoretical analysis of the limits of HDC via a consideration of what similarity matrices can be ``expressed'' by binary vectors, and we show how the limits of HDC can be approached using random Fourier features (RFF). We extend our analysis to the more general class of vector symbolic architectures (VSA), which compute with high-dimensional vectors (hypervectors) that are not necessarily binary. We propose a new class of VSAs, finite group VSAs, which surpass the limits of HDC. Using representation theory, we characterize which similarity matrices can be ``expressed'' by finite group VSA hypervectors, and we show how these VSAs can be constructed. Experimental results show that our RFF method and group VSA can both outperform the state-of-the-art HDC model by up to 7.6\% while maintaining hardware efficiency. This work aims to inspire a future interest on HDC in the ML community and connect to the hardware community.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

Recent studies have shown that, like traditional machine learning, federated learning (FL) is also vulnerable to adversarial attacks. To improve the adversarial robustness of FL, federated adversarial training (FAT) methods have been proposed to apply adversarial training locally before global aggregation. Although these methods demonstrate promising results on independent identically distributed (IID) data, they suffer from training instability on non-IID data with label skewness, resulting in degraded natural accuracy. This tends to hinder the application of FAT in real-world applications where the label distribution across the clients is often skewed. In this paper, we study the problem of FAT under label skewness, and reveal one root cause of the training instability and natural accuracy degradation issues: skewed labels lead to non-identical class probabilities and heterogeneous local models. We then propose a Calibrated FAT (CalFAT) approach to tackle the instability issue by calibrating the logits adaptively to balance the classes. We show both theoretically and empirically that the optimization of CalFAT leads to homogeneous local models across the clients and better convergence points.

Graph search is one of the most successful algorithmic trends in near neighbor search. Several of the most popular and empirically successful algorithms are, at their core, a greedy walk along a pruned near neighbor graph. However, graph traversal applications often suffer from poor memory access patterns, and near neighbor search is no exception to this rule. Our measurements show that popular search indices such as the hierarchical navigable small-world graph (HNSW) can have poor cache miss performance. To address this issue, we formulate the graph traversal problem as a cache hit maximization task and propose multiple graph reordering as a solution. Graph reordering is a memory layout optimization that groups commonly-accessed nodes together in memory. We mathematically formalize the connection between the graph layout and the cache complexity of search. We present exhaustive experiments applying several reordering algorithms to a leading graph-based near neighbor method based on the HNSW index. We find that reordering improves the query time by up to 40%, we present analysis and improvements for existing graph layout methods, and we demonstrate that the time needed to reorder the graph is negligible compared to the time required to construct the index.

A critical challenge in multi-agent reinforcement learning(MARL) is for multiple agents to efficiently accomplish complex, long-horizon tasks. The agents often have difficulties in cooperating on common goals, dividing complex tasks, and planning through several stages to make progress. We propose to address these challenges by guiding agents with programs designed for parallelization, since programs as a representation contain rich structural and semantic information, and are widely used as abstractions for long-horizon tasks. Specifically, we introduce Efficient Multi-Agent Reinforcement Learning with Parallel Program Guidance(E-MAPP), a novel framework that leverages parallel programs to guide multiple agents to efficiently accomplish goals that require planning over $10+$ stages. E-MAPP integrates the structural information from a parallel program, promotes the cooperative behaviors grounded in program semantics, and improves the time efficiency via a task allocator. We conduct extensive experiments on a series of challenging, long-horizon cooperative tasks in the Overcooked environment. Results show that E-MAPP outperforms strong baselines in terms of the completion rate, time efficiency, and zero-shot generalization ability by a large margin.

Detecting out-of-distribution (OOD) objects is indispensable for safely deploying object detectors in the wild. Although distance-based OOD detection methods have demonstrated promise in image classification, they remain largely unexplored in object-level OOD detection. This paper bridges the gap by proposing a distance-based framework for detecting OOD objects, which relies on the model-agnostic representation space and provides strong generality across different neural architectures. Our proposed framework SIREN contributes two novel components: (1) a representation learning component that uses a trainable loss function to shape the representations into a mixture of von Mises-Fisher (vMF) distributions on the unit hypersphere, and (2) a test-time OOD detection score leveraging the learned vMF distributions in a parametric or non-parametric way. SIREN achieves competitive performance on both the recent detection transformers and CNN-based models, improving the AUROC by a large margin compared to the previous best method. Code is publicly available at https://github.com/deeplearning-wisc/siren.

We consider a preference learning setting where every participant chooses an ordered list of $k$ most preferred items among a displayed set of candidates. (The set can be different for every participant.) We identify a distance-based ranking model for the population's preferences and their (ranked) choice behavior. The ranking model resembles the Mallows model but uses a new distance function called Reverse Major Index (RMJ). We find that despite the need to sum over all permutations, the RMJ-based ranking distribution aggregates into (ranked) choice probabilities with simple closed-form expression. We develop effective methods to estimate the model parameters and showcase their generalization power using real data, especially when there is a limited variety of display sets.

Concept-based explanations permit to understand the predictions of a deep neural network (DNN) through the lens of concepts specified by users. Existing methods assume that the examples illustrating a concept are mapped in a fixed direction of the DNN's latent space. When this holds true, the concept can be represented by a concept activation vector (CAV) pointing in that direction. In this work, we propose to relax this assumption by allowing concept examples to be scattered across different clusters in the DNN's latent space. Each concept is then represented by a region of the DNN's latent space that includes these clusters and that we call concept activation region (CAR). To formalize this idea, we introduce an extension of the CAV formalism that is based on the kernel trick and support vector classifiers. This CAR formalism yields global concept-based explanations and local concept-based feature importance. We prove that CAR explanations built with radial kernels are invariant under latent space isometries. In this way, CAR assigns the same explanations to latent spaces that have the same geometry. We further demonstrate empirically that CARs offer (1) more accurate descriptions of how concepts are scattered in the DNN's latent space; (2) global explanations that are closer to human concept annotations and (3) concept-based feature importance that meaningfully relate concepts with each other. Finally, we use CARs to show that DNNs can autonomously rediscover known scientific concepts, such as the prostate cancer grading system.

One of the most overlooked challenges in dance generation is that the auto-regressive frameworks are prone to freezing motions due to noise accumulation. In this paper, we present two modules that can be plugged into the existing models to enable them to generate non-freezing and high fidelity dances. Since the high-dimensional motion data are easily swamped by noise, we propose to learn a low-dimensional manifold representation by an auto-encoder with a bank of latent codes, which can be used to reduce the noise in the predicted motions, thus preventing from freezing. We further extend the bank to provide explicit priors about the future motions to disambiguate motion prediction, which helps the predictors to generate motions with larger magnitude and higher fidelity than possible before. Extensive experiments on AIST++, a public large-scale 3D dance motion benchmark, demonstrate that our method notably outperforms the baselines in terms of quality, diversity and time length.

Deep neural networks often suffer from poor generalization caused by complex and non-convex loss landscapes. One of the popular solutions is Sharpness-Aware Minimization (SAM), which smooths the loss landscape via minimizing the maximized change of training loss when adding a perturbation to the weight. However, we find the indiscriminate perturbation of SAM on all parameters is suboptimal, which also results in excessive computation,~\emph{i.e.}, double the overhead of common optimizers like Stochastic Gradient Descent~(SGD). In this paper, we propose an efficient and effective training scheme coined as Sparse SAM (SSAM), which achieves sparse perturbation by a binary mask. To obtain the sparse mask, we provide two solutions which are based on Fisher information and dynamic sparse training, respectively. In addition, we theoretically prove that SSAM can converge at the same rate as SAM,~\emph{i.e.}, $O(\log T/\sqrt{T})$. Sparse SAM not only has the potential for training acceleration but also smooths the loss landscape effectively. Extensive experimental results on CIFAR10, CIFAR100, and ImageNet-1K confirm the superior efficiency of our method to SAM, and the performance is preserved or even better with a perturbation of merely 50\% sparsity. Code is available at \url{https://github.com/Mi-Peng/Sparse-Sharpness-Aware-Minimization}.

Human teammates often form conscious and subconscious expectations of each other during interaction. Teaming success is contingent on whether such expectations can be met. Similarly, for an intelligent agent to operate beside a human, it must consider the human’s expectation of its behavior. Disregarding such expectations can lead to the loss of trust and degraded team performance. A key challenge here is that the human’s expectation may not align with the agent’s optimal behavior, e.g., due to the human’s partial or inaccurate understanding of the task domain. Prior work on explicable planning described the ability of agents to respect their human teammate’s expectations by trading off task performance for more expected or “explicable” behaviors. In this paper, we introduce Explicable Policy Search (EPS) to significantly extend such an ability to stochastic domains in a reinforcement learning (RL) setting with continuous state and action spaces. Furthermore, in contrast to the traditional RL methods, EPS must at the same time infer the human’s hidden expectations. Such inferences require information about the human’s belief about the domain dynamics and her reward model but directly querying them is impractical. We demonstrate that such information can be necessarily and sufficiently encoded by a surrogate reward function for EPS, which can be learned based on the human’s feedback on the agent’s behavior. The surrogate reward function is then used to reshape the agent’s reward function, which is shown to be equivalent to searching for an explicable policy. We evaluate EPS in a set of navigation domains with synthetic human models and in an autonomous driving domain with a user study. The results suggest that our method can generate explicable behaviors that reconcile task performance with human expectations intelligently and has real-world relevance in human-agent teaming domains.

Factorisation-based Models (FMs), such as DistMult, have enjoyed enduring success for Knowledge Graph Completion (KGC) tasks, often outperforming Graph Neural Networks (GNNs). However, unlike GNNs, FMs struggle to incorporate node features and generalise to unseen nodes in inductive settings. Our work bridges the gap between FMs and GNNs by proposing ReFactor GNNs. This new architecture draws upon $\textit{both}$ modelling paradigms, which previously were largely thought of as disjoint. Concretely, using a message-passing formalism, we show how FMs can be cast as GNNs by reformulating the gradient descent procedure as message-passing operations, which forms the basis of our ReFactor GNNs. Across a multitude of well-established KGC benchmarks, our ReFactor GNNs achieve comparable transductive performance to FMs, and state-of-the-art inductive performance while using an order of magnitude fewer parameters.

Predictions about people, such as their expected educational achievement or their credit risk, can be performative and shape the outcome that they are designed to predict. Understanding the causal effect of predictions on the eventual outcomes is crucial for foreseeing the implications of future predictive models and selecting which models to deploy. However, this causal estimation task poses unique challenges: model predictions are usually deterministic functions of input features and highly correlated with outcomes, which can make the causal effects of predictions on outcomes impossible to disentangle from the direct effect of the covariates. We study this problem through the lens of causal identifiability. Despite the hardness of this problem in full generality, we highlight three natural scenarios where the causal effect of predictions can be identified from observational data: randomization in predictions, overparameterization of the predictive model deployed during data collection, and discrete prediction outputs. Empirically we show that given our identifiability conditions hold, standard variants of supervised learning that predict from predictions by treating the prediction as an input feature can find transferable functional relationships that allow for conclusions about newly deployed predictive models. These positive results fundamentally rely on model predictions being recorded during data collection, bringing forward the importance of rethinking standard data collection practices to enable progress towards a better understanding of social outcomes and performative feedback loops.

Recent research has shown that generative models with highly disentangled representations fail to generalise to unseen combination of generative factor values. These findings contradict earlier research which showed improved performance in out-of-training distribution settings when compared to entangled representations. Additionally, it is not clear if the reported failures are due to (a) encoders failing to map novel combinations to the proper regions of the latent space, or (b) novel combinations being mapped correctly but the decoder is unable to render the correct output for the unseen combinations. We investigate these alternatives by testing several models on a range of datasets and training settings. We find that (i) when models fail, their encoders also fail to map unseen combinations to correct regions of the latent space and (ii) when models succeed, it is either because the test conditions do not exclude enough examples, or because excluded cases involve combinations of object properties with it's shape. We argue that to generalise properly, models not only need to capture factors of variation, but also understand how to invert the process that causes the visual stimulus.

Backpropagation (BP) is the most successful and widely used algorithm in deep learning. However, the computations required by BP are challenging to reconcile with known neurobiology. This difficulty has stimulated interest in more biologically plausible alternatives to BP. One such algorithm is the inference learning algorithm (IL). IL trains predictive coding models of neural circuits and has achieved equal performance to BP on supervised and auto-associative tasks. In contrast to BP, however, the mathematical foundations of IL are not well-understood. Here, we develop a novel theoretical framework for IL. Our main result is that IL closely approximates an optimization method known as implicit stochastic gradient descent (implicit SGD), which is distinct from the explicit SGD implemented by BP. Our results further show how the standard implementation of IL can be altered to better approximate implicit SGD. Our novel implementation considerably improves the stability of IL across learning rates, which is consistent with our theory, as a key property of implicit SGD is its stability. We provide extensive simulation results that further support our theoretical interpretations and find IL achieves quicker convergence when trained with mini-batch size one while performing competitively with BP for larger mini-batches when combined with Adam.

Graph (structure) augmentation aims to perturb the graph structure through heuristic or probabilistic rules, enabling the nodes to capture richer contextual information and thus improving generalization performance. While there have been a few graph structure augmentation methods proposed recently, none of them are aware of a potential negative augmentation problem, which may be caused by overly severe distribution shifts between the original and augmented graphs. In this paper, we take an important graph property, namely graph homophily, to analyze the distribution shifts between the two graphs and thus measure the severity of an augmentation algorithm suffering from negative augmentation. To tackle this problem, we propose a novel Knowledge Distillation for Graph Augmentation (KDGA) framework, which helps to reduce the potential negative effects of distribution shifts, i.e., negative augmentation problem. Specifically, KDGA extracts the knowledge of any GNN teacher model trained on the augmented graphs and injects it into a partially parameter-shared student model that is tested on the original graph. As a simple but efficient framework, KDGA is applicable to a variety of existing graph augmentation methods and can significantly improve the performance of various GNN architectures. For three popular graph augmentation methods, namely GAUG, MH-Aug, and GraphAug, the experimental results show that the learned student models outperform their vanilla implementations by an average accuracy of 4.6% (GAUG), 4.2% (MH-Aug), and 4.6% (GraphAug) on eight graph datasets.

Full waveform inversion (FWI) is widely used in geophysics to reconstruct high-resolution velocity maps from seismic data. The recent success of data-driven FWI methods results in a rapidly increasing demand for open datasets to serve the geophysics community. We present OpenFWI, a collection of large-scale multi-structural benchmark datasets, to facilitate diversified, rigorous, and reproducible research on FWI. In particular, OpenFWI consists of $12$ datasets ($2.1$TB in total) synthesized from multiple sources. It encompasses diverse domains in geophysics (interface, fault, CO$_2$ reservoir, etc.), covers different geological subsurface structures (flat, curve, etc.), and contain various amounts of data samples (2K - 67K). It also includes a dataset for 3D FWI. Moreover, we use OpenFWI to perform benchmarking over four deep learning methods, covering both supervised and unsupervised learning regimes. Along with the benchmarks, we implement additional experiments, including physics-driven methods, complexity analysis, generalization study, uncertainty quantification, and so on, to sharpen our understanding of datasets and methods. The studies either provide valuable insights into the datasets and the performance, or uncover their current limitations. We hope OpenFWI supports prospective research on FWI and inspires future open-source efforts on AI for science. All datasets and related information can be accessed through our website at https://openfwi-lanl.github.io/

Multi-lingual fine-tuning (MLF), which fine-tunes a multi-lingual language model (MLLM) with multiple source languages, aims to gain good zero-shot performance on target languages. In MLF, the fine-tuned model tends to fit the source languages while forgetting its cross-lingual knowledge obtained from the pre-training stage. This forgetting phenomenon degenerates the zero-shot performance of MLF, which remains under-explored. To fill this gap, this paper proposes a multi-lingual fine-tuning method, dubbed Less-forgetting Multi-lingual Fine-tuning (LF-MLF). In LF-MLF, we cast multi-lingual fine-tuning as a constrained optimization problem, where the optimization objective is to minimize forgetting, and constraints are reducing the fine-tuning loss. The proposed method has superior zero-shot performance; furthermore, it can achieve the Pareto stationarity. Extensive experiments on Named Entity Recognition, Question Answering and Natural Language Inference back up our theoretical analysis and validate the superiority of our proposals.