NeurIPS 2022 论文列表

We consider the pool-based active learning problem, where only a subset of the training data is labeled, and the goal is to query a batch of unlabeled samples to be labeled so as to maximally improve model performance. We formulate the problem using constrained learning, where a set of constraints bounds the performance of the model on labeled samples. Considering a primal-dual approach, we optimize the primal variables, corresponding to the model parameters, as well as the dual variables, corresponding to the constraints. As each dual variable indicates how significantly the perturbation of the respective constraint affects the optimal value of the objective function, we use it as a proxy of the informativeness of the corresponding training sample. Our approach, which we refer to as Active Learning via Lagrangian dualitY, or ALLY, leverages this fact to select a diverse set of unlabeled samples with the highest estimated dual variables as our query set. We demonstrate the benefits of our approach in a variety of classification and regression tasks and discuss its limitations depending on the capacity of the model used and the degree of redundancy in the dataset. We also examine the impact of the distribution shift induced by active sampling and show that ALLY can be used in a generative mode to create novel, maximally-informative samples.

Generalization bounds which assess the difference between the true risk and the empirical risk have been studied extensively. However, to obtain bounds, current techniques use strict assumptions such as a uniformly bounded or a Lipschitz loss function. To avoid these assumptions, in this paper, we follow an alternative approach: we relax uniform bounds assumptions by using on-average bounded loss and on-average bounded gradient norm assumptions. Following this relaxation, we propose a new generalization bound that exploits the contractivity of the log-Sobolev inequalities. These inequalities add an additional loss-gradient norm term to the generalization bound, which is intuitively a surrogate of the model complexity. We apply the proposed bound on Bayesian deep nets and empirically analyze the effect of this new loss-gradient norm term on different neural architectures.

Reinforcement learning (RL) with diverse offline datasets can have the advantage of leveraging the relation of multiple tasks and the common skills learned across those tasks, hence allowing us to deal with real-world complex problems efficiently in a data-driven way. In offline RL where only offline data is used and online interaction with the environment is restricted, it is yet difficult to achieve the optimal policy for multiple tasks, especially when the data quality varies for the tasks. In this paper, we present a skill-based multi-task RL technique on heterogeneous datasets that are generated by behavior policies of different quality. To learn the shareable knowledge across those datasets effectively, we employ a task decomposition method for which common skills are jointly learned and used as guidance to reformulate a task in shared and achievable subtasks. In this joint learning, we use Wasserstein Auto-Encoder (WAE) to represent both skills and tasks on the same latent space and use the quality-weighted loss as a regularization term to induce tasks to be decomposed into subtasks that are more consistent with high-quality skills than others. To improve the performance of offline RL agents learned on the latent space, we also augment datasets with imaginary trajectories relevant to high-quality skills for each task. Through experiments, we show that our multi-task offline RL approach is robust to different-quality datasets and it outperforms other state-of-the-art algorithms for several robotic manipulation tasks and drone navigation tasks.

Neural Collapse refers to the remarkable structural properties characterizing the geometry of class embeddings and classifier weights, found by deep nets when trained beyond zero training error. However, this characterization only holds for balanced data. Here we thus ask whether it can be made invariant to class imbalances. Towards this end, we adopt the unconstrained feature model (UFM), a recent theoretical model for studying neural collapse, and introduce $\text{\emph{Simplex-Encoded-Labels Interpolation}}$ (SELI) as an invariant characterization of the neural collapse phenomenon. Specifically, we prove for the UFM with cross-entropy loss and vanishing regularization that, irrespective of class imbalances, the embeddings and classifiers always interpolate a simplex-encoded label matrix and that their individual geometries are determined by the SVD factors of this same label matrix. We then present extensive experiments on synthetic and real datasets that confirm convergence to the SELI geometry. However, we caution that convergence worsens with increasing imbalances. We theoretically support this finding by showing that unlike the balanced case, when minorities are present, ridge-regularization plays a critical role in tweaking the geometry. This defines new questions and motivates further investigations into the impact of class imbalances on the rates at which first-order methods converge to their asymptotically preferred solutions.

It has been observed that visual classification models often rely mostly on spurious cues such as the image background, which hurts their robustness to distribution changes. To alleviate this shortcoming, we propose to monitor the model's relevancy signal and direct the model to base its prediction on the foreground object. This is done as a finetuning step, involving relatively few samples consisting of pairs of images and their associated foreground masks. Specifically, we encourage the model's relevancy map (i) to assign lower relevance to background regions, (ii) to consider as much information as possible from the foreground, and (iii) we encourage the decisions to have high confidence. When applied to Vision Transformer (ViT) models, a marked improvement in robustness to domain-shifts is observed. Moreover, the foreground masks can be obtained automatically, from a self-supervised variant of the ViT model itself; therefore no additional supervision is required. Our code is available at: https://github.com/hila-chefer/RobustViT.

We show that standard Transformers without graph-specific modifications can lead to promising results in graph learning both in theory and practice. Given a graph, we simply treat all nodes and edges as independent tokens, augment them with token embeddings, and feed them to a Transformer. With an appropriate choice of token embeddings, we prove that this approach is theoretically at least as expressive as an invariant graph network (2-IGN) composed of equivariant linear layers, which is already more expressive than all message-passing Graph Neural Networks (GNN). When trained on a large-scale graph dataset (PCQM4Mv2), our method coined Tokenized Graph Transformer (TokenGT) achieves significantly better results compared to GNN baselines and competitive results compared to Transformer variants with sophisticated graph-specific inductive bias. Our implementation is available at https://github.com/jw9730/tokengt.

We introduce the Block-Recurrent Transformer, which applies a transformer layer in a recurrent fashion along a sequence, and has linear complexity with respect to sequence length. Our recurrent cell operates on blocks of tokens rather than single tokens during training, and leverages parallel computation within a block in order to make efficient use of accelerator hardware. The cell itself is strikingly simple. It is merely a transformer layer: it uses self-attention and cross-attention to efficiently compute a recurrent function over a large set of state vectors and tokens. Our design was inspired in part by LSTM cells, and it uses LSTM-style gates, but it scales the typical LSTM cell up by several orders of magnitude. Our implementation of recurrence has the same cost in both computation time and parameter count as a conventional transformer layer, but offers dramatically improved perplexity in language modeling tasks over very long sequences. Our model out-performs a long-range Transformer XL baseline by a wide margin, while running twice as fast. We demonstrate its effectiveness on PG19 (books), arXiv papers, and GitHub source code. Our code has been released as open source.

We consider a scenario where multiple agents are learning a common decision vector from data which can be influenced by the agents’ decisions. This leads to the problem of multi-agent performative prediction (Multi-PfD). In this paper, we formulate Multi-PfD as a decentralized optimization problem that minimizes a sum of loss functions, where each loss function is based on a distribution influenced by the local decision vector. We first prove the necessary and sufficient condition for the Multi-PfD problem to admit a unique multi-agent performative stable (Multi-PS) solution. We show that enforcing consensus leads to a laxer condition for existence of Multi-PS solution with respect to the distributions’ sensitivities, compared to the single agent case. Then, we study a decentralized extension to  the greedy deployment scheme [Mendler-Dünner et al., 2020], called the DSGD-GD  scheme. We show that DSGD-GD converges to the Multi-PS solution and analyze its non asymptotic convergence rate. Numerical results validate our analysis.

The right to be forgotten calls for efficient machine unlearning techniques that make trained machine learning models forget a cohort of data. The combination of training and unlearning operations in traditional machine unlearning methods often leads to the expensive computational cost on large-scale data. This paper presents a prompt certified machine unlearning algorithm, PCMU, which executes one-time operation of simultaneous training and unlearning in advance for a series of machine unlearning requests, without the knowledge of the removed/forgotten data. First, we establish a connection between randomized smoothing for certified robustness on classification and randomized smoothing for certified machine unlearning on gradient quantization. Second, we propose a prompt certified machine unlearning model based on randomized data smoothing and gradient quantization. We theoretically derive the certified radius R regarding the data change before and after data removals and the certified budget of data removals about R. Last but not least, we present another practical framework of randomized gradient smoothing and quantization, due to the dilemma of producing high confidence certificates in the first framework. We theoretically demonstrate the certified radius R' regarding the gradient change, the correlation between two types of certified radii, and the certified budget of data removals about R'.

Transformers have shown great power in time series forecasting due to their global-range modeling ability. However, their performance can degenerate terribly on non-stationary real-world data in which the joint distribution changes over time. Previous studies primarily adopt stationarization to attenuate the non-stationarity of original series for better predictability. But the stationarized series deprived of inherent non-stationarity can be less instructive for real-world bursty events forecasting. This problem, termed over-stationarization in this paper, leads Transformers to generate indistinguishable temporal attentions for different series and impedes the predictive capability of deep models. To tackle the dilemma between series predictability and model capability, we propose Non-stationary Transformers as a generic framework with two interdependent modules: Series Stationarization and De-stationary Attention. Concretely, Series Stationarization unifies the statistics of each input and converts the output with restored statistics for better predictability. To address the over-stationarization problem, De-stationary Attention is devised to recover the intrinsic non-stationary information into temporal dependencies by approximating distinguishable attentions learned from raw series. Our Non-stationary Transformers framework consistently boosts mainstream Transformers by a large margin, which reduces MSE by 49.43% on Transformer, 47.34% on Informer, and 46.89% on Reformer, making them the state-of-the-art in time series forecasting. Code is available at this repository: https://github.com/thuml/Nonstationary_Transformers.

We consider the query complexity of cake cutting in the standard query model and give lower and upper bounds for computing approximately envy-free, perfect, and equitable allocations with the minimum number of cuts. The lower bounds are tight for computing contiguous envy-free allocations among $n=3$ players and for computing perfect and equitable allocations with minimum number of cuts between $n=2$ players. For $\epsilon$-envy-free allocations with contiguous pieces, we also give an upper bound of $O(n/\epsilon)$ and lower bound of $\Omega(\log(1/\epsilon))$ queries for any number $n \geq 3$ of players. We also formalize moving knife procedures and show that a large subclass of this family, which captures all the known moving knife procedures, can be simulated efficiently with arbitrarily small error in the Robertson-Webb query model.

Neural image compression (NIC) has outperformed traditional image codecs in rate-distortion (R-D) performance. However, it usually requires a dedicated encoder-decoder pair for each point on R-D curve, which greatly hinders its practical deployment. While some recent works have enabled bitrate control via conditional coding, they impose strong prior during training and provide limited flexibility. In this paper we propose Code Editing, a highly flexible coding method for NIC based on semi-amortized inference and adaptive quantization. Our work is a new paradigm for variable bitrate NIC, and experimental results show that our method surpasses existing variable-rate methods. Furthermore, our approach is so flexible that it can also achieves ROI coding and multi-distortion trade-off with a single decoder. Our approach is compatible to all NIC methods with differentiable decoder NIC, and it can be even directly adopted on existing pre-trained models.

Capitalizing on large pre-trained models for various downstream tasks of interest have recently emerged with promising performance. Due to the ever-growing model size, the standard full fine-tuning based task adaptation strategy becomes prohibitively costly in terms of model training and storage. This has led to a new research direction in parameter-efficient transfer learning. However, existing attempts typically focus on downstream tasks from the same modality (e.g., image understanding) of the pre-trained model. This creates a limit because in some specific modalities, (e.g., video understanding) such a strong pre-trained model with sufficient knowledge is less or not available. In this work, we investigate such a novel cross-modality transfer learning setting, namely parameter-efficient image-to-video transfer learning. To solve this problem, we propose a new Spatio-Temporal Adapter (ST-Adapter) for parameter-efficient fine-tuning per video task. With a built-in spatio-temporal reasoning capability in a compact design, ST-Adapter enables a pre-trained image model without temporal knowledge to reason about dynamic video content at a small ~8% per-task parameter cost, requiring approximately 20 times fewer updated parameters compared to previous work. Extensive experiments on video action recognition tasks show that our ST-Adapter can match or even outperform the strong full fine-tuning strategy and state-of-the-art video models, whilst enjoying the advantage of parameter efficiency.

Causal discovery for quantitative data has been extensively studied but less is known for categorical data. We propose a novel causal model for categorical data based on a new classification model, termed classification with optimal label permutation (COLP). By design, COLP is a parsimonious classifier, which gives rise to a provably identifiable causal model. A simple learning algorithm via comparing likelihood functions of causal and anti-causal models suffices to learn the causal direction. Through experiments with synthetic and real data, we demonstrate the favorable performance of the proposed COLP-based causal model compared to state-of-the-art methods. We also make available an accompanying R package COLP, which contains the proposed causal discovery algorithm and a benchmark dataset of categorical cause-effect pairs.

Modern multi-agent reinforcement learning frameworks rely on centralized training and reward shaping to perform well. However, centralized training and dense rewards are not readily available in the real world. Current multi-agent algorithms struggle to learn in the alternative setup of decentralized training or sparse rewards. To address these issues, we propose a self-supervised intrinsic reward \textit{ELIGN - expectation alignment - } inspired by the self-organization principle in Zoology. Similar to how animals collaborate in a decentralized manner with those in their vicinity, agents trained with expectation alignment learn behaviors that match their neighbors' expectations. This allows the agents to learn collaborative behaviors without any external reward or centralized training. We demonstrate the efficacy of our approach across 6 tasks in the multi-agent particle and the complex Google Research football environments, comparing ELIGN to sparse and curiosity-based intrinsic rewards. When the number of agents increases, ELIGN scales well in all multi-agent tasks except for one where agents have different capabilities. We show that agent coordination improves through expectation alignment because agents learn to divide tasks amongst themselves, break coordination symmetries, and confuse adversaries. These results identify tasks where expectation alignment is a more useful strategy than curiosity-driven exploration for multi-agent coordination, enabling agents to do zero-shot coordination.

While large pretrained foundation models (FMs) have shown remarkable zero-shot classification robustness to dataset-level distribution shifts, their robustness to subpopulation or group shifts is relatively underexplored. We study this problem, and find that foundation models such as CLIP may not be robust to various group shifts. Across 9 robustness benchmarks, zero-shot classification with their embeddings results in gaps of up to 80.7 percentage points (pp) between average and worst-group accuracy. Unfortunately, existing methods to improve robustness require retraining, which can be prohibitively expensive on large foundation models. We also find that efficient ways to improve model inference (e.g. via adapters, lightweight networks that transform FM embeddings) do not consistently improve and can sometimes *hurt* group robustness compared to zero-shot. We therefore develop an adapter training strategy to effectively and efficiently improve FM group robustness. Our motivating observation is that while poor robustness results from groups in the same class being embedded far apart in the foundation model "embedding space," standard adapter training may not actually bring these points closer together. We thus propose contrastive adapting, which contrastively trains adapters to bring sample embeddings close to both their ground-truth class embeddings and same-class sample embeddings. Across the 9 robustness benchmarks, contrastive adapting consistently improves group robustness, raising worst-group accuracy by 8.5 to 56.0 pp over zero-shot. Our approach is also efficient, doing so without any FM finetuning and only a fixed set of FM embeddings. On popular benchmarks such as Waterbirds and CelebA, this leads to worst-group accuracy comparable to state-of-the-art methods, while only training <1% of the model parameters.

AI systems are becoming increasingly intertwined with human life. In order to effectively collaborate with humans and ensure safety, AI systems need to be able to understand, interpret and predict human moral judgments and decisions. Human moral judgments are often guided by rules, but not always. A central challenge for AI safety is capturing the flexibility of the human moral mind — the ability to determine when a rule should be broken, especially in novel or unusual situations. In this paper, we present a novel challenge set consisting of moral exception question answering (MoralExceptQA) of cases that involve potentially permissible moral exceptions – inspired by recent moral psychology studies. Using a state-of-the-art large language model (LLM) as a basis, we propose a novel moral chain of thought (MoralCoT) prompting strategy that combines the strengths of LLMs with theories of moral reasoning developed in cognitive science to predict human moral judgments. MoralCoT outperforms seven existing LLMs by 6.2% F1, suggesting that modeling human reasoning might be necessary to capture the flexibility of the human moral mind. We also conduct a detailed error analysis to suggest directions for future work to improve AI safety using MoralExceptQA. Our data is open-sourced at https://huggingface.co/datasets/feradauto/MoralExceptQA and code at https://github.com/feradauto/MoralCoT.

Bayesian optimisation (BO) algorithms have shown remarkable success in applications involving expensive black-box functions. Traditionally BO has been set as a sequential decision-making process which estimates the utility of query points via an acquisition function and a prior over functions, such as a Gaussian process. Recently, however, a reformulation of BO via density-ratio estimation (BORE) allowed reinterpreting the acquisition function as a probabilistic binary classifier, removing the need for an explicit prior over functions and increasing scalability. In this paper, we present a theoretical analysis of BORE's regret and an extension of the algorithm with improved uncertainty estimates. We also show that BORE can be naturally extended to a batch optimisation setting by recasting the problem as approximate Bayesian inference. The resulting algorithms come equipped with theoretical performance guarantees and are assessed against other batch and sequential BO baselines in a series of experiments.

Zero-shot coordination (ZSC) evaluates an algorithm by the performance of a team of agents that were trained independently under that algorithm. Off-belief learning (OBL) is a recent method that achieves state-of-the-art results in ZSC in the game Hanabi. However, the implementation of OBL relies on a belief model that experiences covariate shift. Moreover, during ad-hoc coordination, OBL or any other neural policy may experience test-time covariate shift. We present two methods addressing these issues. The first method, off-team belief learning (OTBL), attempts to improve the accuracy of the belief model of a target policy πT on a broader range of inputs by weighting trajectories approximately according to the distribution induced by a different policy πb. The second, off-team off-belief learning (OT-OBL), attempts to compute an OBL equilibrium, where fixed point error is weighted according to the distribution induced by cross-play between the training policy π and a different fixed policy πb instead of self-play of π. We investigate these methods in variants of Hanabi.