NeurIPS 2023 Papers

Active learning, a label-efficient paradigm, empowers models to interactively query an oracle for labeling new data. In the realm of LiDAR semantic segmentation, the challenges stem from the sheer volume of point clouds, rendering annotation labor-intensive and cost-prohibitive. This paper presents Annotator, a general and efficient active learning baseline, in which a voxel-centric online selection strategy is tailored to efficiently probe and annotate the salient and exemplar voxel girds within each LiDAR scan, even under distribution shift. Concretely, we first execute an in-depth analysis of several common selection strategies such as Random, Entropy, Margin, and then develop voxel confusion degree (VCD) to exploit the local topology relations and structures of point clouds. Annotator excels in diverse settings, with a particular focus on active learning (AL), active source-free domain adaptation (ASFDA), and active domain adaptation (ADA). It consistently delivers exceptional performance across LiDAR semantic segmentation benchmarks, spanning both simulation-to-real and real-to-real scenarios. Surprisingly, Annotator exhibits remarkable efficiency, requiring significantly fewer annotations, e.g., just labeling five voxels per scan in the SynLiDAR → SemanticKITTI task. This results in impressive performance, achieving 87.8% fully-supervised performance under AL, 88.5% under ASFDA, and 94.4% under ADA. We envision that Annotator will offer a simple, general, and efficient solution for label-efficient 3D applications.

Selecting a suitable pretraining dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution given unlabeled target samples. Due to the scale and dimensionality of the raw text data, existing methods use simple heuristics or require human experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. We propose Data Selection with Importance Resampling (DSIR), an efficient and scalable framework that estimates importance weights in a reduced feature space for tractability and selects data with importance resampling according to these weights. We instantiate the DSIR framework with hashed n-gram features for efficiency, enabling the selection of 100M documents from the full Pile dataset in 4.5 hours. To measure whether hashed n-gram features preserve the aspects of the data that are relevant to the target, we define KL reduction, a data metric that measures the proximity between the selected pretraining data and the target on some feature space. Across 8 data selection methods (including expert selection), KL reduction on hashed n-gram features highly correlates with average downstream accuracy (r=0.82). When selecting data for continued pretraining on a specific domain, DSIR performs comparably to expert curation across 8 target distributions. When pretraining general-domain models (target is Wikipedia and books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark.

Large-scale driving datasets such as Waymo Open Dataset and nuScenes substantially accelerate autonomous driving research, especially for perception tasks such as 3D detection and trajectory forecasting. Since the driving logs in these datasets contain HD maps and detailed object annotations which accurately reflect the real-world complexity of traffic behaviors, we can harvest a massive number of complex traffic scenarios and recreate their digital twins in simulation. Compared to the hand-crafted scenarios often used in existing simulators, data-driven scenarios collected from the real world can facilitate many research opportunities in machine learning and autonomous driving. In this work, we present ScenarioNet, an open-source platform for large-scale traffic scenario modeling and simulation. ScenarioNet defines a unified scenario description format and collects a large-scale repository of real-world traffic scenarios from the heterogeneous data in various driving datasets including Waymo, nuScenes, Lyft L5, and nuPlan datasets. These scenarios can be further replayed and interacted with in multiple views from Bird-Eye-View layout to realistic 3D rendering in MetaDrive simulator. This provides a benchmark for evaluating the safety of autonomous driving stacks in simulation before their real-world deployment. We further demonstrate the strengths of ScenarioNet on large-scale scenario generation, imitation learning, and reinforcement learning in both single-agent and multi-agent settings. Code, demo videos, and website are available at https://github.com/metadriverse/scenarionet

Large language models (LLMs) are excellent in-context learners. However, the sensitivity of data contained in prompts raises privacy concerns. Our work first shows that these concerns are valid: we instantiate a simple but highly effective membership inference attack against the data used to prompt LLMs. To address this vulnerability, one could forego prompting and resort to fine-tuning LLMs with known algorithms for private gradient descent. However, this comes at the expense of the practicality and efficiency offered by prompting. Therefore, we propose to privately learn to prompt. We first show that soft prompts can be obtained privately through gradient descent on downstream data. However, this is not the case for discrete prompts. Thus, we orchestrate a noisy vote among an ensemble of LLMs presented with different prompts, i.e., a flock of stochastic parrots. The vote privately transfers the flock's knowledge into a single public prompt. We show that LLMs prompted with our private algorithms closely match the non-private baselines. For example, using GPT3 as the base model, we achieve a downstream accuracy of 92.7% on the sst2 dataset with $(\varepsilon=0.147, \delta=10^{-6})$-differential privacy vs. 95.2% for the non-private baseline. Through our experiments, we also show that our prompt-based approach is easily deployed with existing commercial~APIs.

Through a deeper understanding of predictions of neural networks, Influence Function (IF) has been applied to various tasks such as detecting and relabeling mislabeled samples, dataset pruning, and separation of data sources in practice. However, we found standard approximations of IF suffer from performance degradation due to oversimplified influence distributions caused by their bilinear approximation, suppressing the expressive power of samples with a relatively strong influence. To address this issue, we propose a new interpretation of existing IF approximations as an average relationship between two linearized losses over parameters sampled from the Laplace approximation (LA). In doing so, we highlight two significant limitations of current IF approximations: the linearity of gradients and the singularity of Hessian. Accordingly, by improving each point, we introduce a new IF approximation method with the following features: i) the removal of linearization to alleviate the bilinear constraint and ii) the utilization of Geometric Ensemble (GE) tailored for non-linear losses. Empirically, our approach outperforms existing IF approximations for downstream tasks with lighter computation, thereby providing new feasibility of low-complexity/nonlinear-based IF design.

The evaluation of participant contribution in federated learning (FL) has recently gained significant attention due to its applicability in various domains, such as incentive mechanisms, robustness enhancement, and client selection. Previous approaches have predominantly relied on the widely adopted Shapley value for participant evaluation. However, the computation of the Shapley value is expensive, despite using techniques like gradient-based model reconstruction and truncating unnecessary evaluations. Therefore, we present an efficient approach called Single-round Participants Amalgamation for Contribution Evaluation (SPACE). SPACE incorporates two novel components, namely Federated Knowledge Amalgamation and Prototype-based Model Evaluation to reduce the evaluation effort by eliminating the dependence on the size of the validation set and enabling participant evaluation within a single communication round. Experimental results demonstrate that SPACE outperforms state-of-the-art methods in terms of both running time and Pearson’s Correlation Coefficient (PCC). Furthermore, extensive experiments conducted on applications, client reweighting, and client selection highlight the effectiveness of SPACE. The code is available at https://github.com/culiver/SPACE.

The computation necessary for training Transformer-based language models has skyrocketed in recent years. This trend has motivated research on efficient training algorithms designed to improve training, validation, and downstream performance faster than standard training. In this work, we revisit three categories of such algorithms: dynamic architectures (layer stacking, layer dropping), batch selection (selective backprop., RHO-loss), and efficient optimizers (Lion, Sophia). When pre-training BERT and T5 with a fixed computation budget using such methods, we find that their training, validation, and downstream gains vanish compared to a baseline with a fully-decayed learning rate. We define an evaluation protocol that enables computation to be done on arbitrary machines by mapping all computation time to a reference machine which we call reference system time. We discuss the limitations of our proposed protocol and release our code to encourage rigorous research in efficient training procedures: https://github.com/JeanKaddour/NoTrainNoGain.

We show how to "compile" human-readable programs into standard decoder-only transformer models. Our compiler, Tracr, generates models with known structure. This structure can be used to design experiments. For example, we use it to study "superposition" in transformers that execute multi-step algorithms. Additionally, the known structure of Tracr-compiled models can serve as _ground-truth_ for evaluating interpretability methods. Commonly, because the "programs" learned by transformers are unknown it is unclear whether an interpretation succeeded. We demonstrate our approach by implementing and examining programs including computing token frequencies, sorting, and parenthesis checking. We provide an open-source implementation of Tracr at https://github.com/google-deepmind/tracr.

Offline Reinforcement Learning (RL) has demonstrated promising results in various applications by learning policies from previously collected datasets, reducing the need for online exploration and interactions. However, real-world scenarios usually involve partial observability, which brings crucial challenges of the deployment of offline RL methods: i) the policy trained on data with full observability is not robust against the masked observations during execution, and ii) the information of which parts of observations are masked is usually unknown during training. In order to address these challenges, we present Offline RL with DiscrEte pRoxy representations (ORDER), a probabilistic framework which leverages novel state representations to improve the robustness against diverse masked observabilities. Specifically, we propose a discrete representation of the states and use a proxy representation to recover the states from masked partial observable trajectories. The training of ORDER can be compactly described as the following three steps. i) Learning the discrete state representations on data with full observations, ii) Training the decision module based on the discrete representations, and iii) Training the proxy discrete representations on the data with various partial observations, aligning with the discrete representations. We conduct extensive experiments to evaluate ORDER, showcasing its effectiveness in offline RL for diverse partially observable scenarios and highlighting the significance of discrete proxy representations in generalization performance. ORDER is a flexible framework to employ any offline RL algorithms and we hope that ORDER can pave the way for the deployment of RL policy against various partial observabilities in the real world.

Single-call stochastic extragradient methods, like stochastic past extragradient (SPEG) and stochastic optimistic gradient (SOG), have gained a lot of interest in recent years and are one of the most efficient algorithms for solving large-scale min-max optimization and variational inequalities problems (VIP) appearing in various machine learning tasks. However, despite their undoubted popularity, current convergence analyses of SPEG and SOG require strong assumptions like bounded variance or growth conditions. In addition, several important questions regarding the convergence properties of these methods are still open, including mini-batching, efficient step-size selection, and convergence guarantees under different sampling strategies. In this work, we address these questions and provide convergence guarantees for two large classes of structured non-monotone VIPs: (i) quasi-strongly monotone problems (a generalization of strongly monotone problems) and (ii) weak Minty variational inequalities (a generalization of monotone and Minty VIPs). We introduce the expected residual condition, explain its benefits, and show how it allows us to obtain a strictly weaker bound than previously used growth conditions, expected co-coercivity, or bounded variance assumptions. Finally, our convergence analysis holds under the arbitrary sampling paradigm, which includes importance sampling and various mini-batching strategies as special cases.

Automated seizure detection is of great importance to epilepsy diagnosis and treatment. An emerging method used in seizure detection, stereoelectroencephalography (SEEG), can provide detailed and stereoscopic brainwave information. However, modeling SEEG in clinical scenarios will face challenges like huge domain shift between different patients and dramatic pattern evolution among different brain areas. In this study, we propose a Pretraining-based model for Patient-independent seizure detection (PPi) to address these challenges. Firstly, we design two novel self-supervised tasks which can extract rich information from abundant SEEG data while preserving the unique characteristics between brain signals recorded from different brain areas. Then two techniques channel background subtraction and brain region enhancement are proposed to effectively tackle the domain shift problem. Extensive experiments show that PPi outperforms the SOTA baselines on two public datasets and a real-world clinical dataset collected by ourselves, which demonstrates the effectiveness and practicability of PPi. Finally, visualization analysis illustrates the rationality of the two domain generalization techniques.

Computerized adaptive testing (CAT), as a tool that can efficiently measure student's ability, has been widely used in various standardized tests (e.g., GMAT and GRE). The adaptivity of CAT refers to the selection of the most informative questions for each student, reducing test length. Existing CAT methods do not explicitly target ability estimation accuracy since there is no student's true ability as ground truth; therefore, these methods cannot be guaranteed to make the estimate converge to the true with such limited responses. In this paper, we analyze the statistical properties of estimation and find a theoretical approximation of the true ability: the ability estimated by full responses to question bank. Based on this, a Bounded Ability Estimation framework for CAT (BECAT) is proposed in a data-summary manner, which selects a question subset that closely matches the gradient of the full responses. Thus, we develop an expected gradient difference approximation to design a simple greedy selection algorithm, and show the rigorous theoretical and error upper-bound guarantees of its ability estimate. Experiments on both real-world and synthetic datasets, show that it can reach the same estimation accuracy using 15\% less questions on average, significantly reducing test length.

This paper presents a general methodology for deriving information-theoretic generalization bounds for learning algorithms. The main technical tool is a probabilistic decorrelation lemma based on a change of measure and a relaxation of Young's inequality in $L_{\psi_p}$ Orlicz spaces. Using the decorrelation lemma in combination with other techniques, such as symmetrization, couplings, and chaining in the space of probability measures, we obtain new upper bounds on the generalization error, both in expectation and in high probability, and recover as special cases many of the existing generalization bounds, including the ones based on mutual information, conditional mutual information, stochastic chaining, and PAC-Bayes inequalities. In addition, the Fernique--Talagrand upper bound on the expected supremum of a subgaussian process emerges as a special case.

Our ability to use deep learning approaches to decipher neural activity would likely benefit from greater scale, in terms of both the model size and the datasets. However, the integration of many neural recordings into one unified model is challenging, as each recording contains the activity of different neurons from different individual animals. In this paper, we introduce a training framework and architecture designed to model the population dynamics of neural activity across diverse, large-scale neural recordings. Our method first tokenizes individual spikes within the dataset to build an efficient representation of neural events that captures the fine temporal structure of neural activity. We then employ cross-attention and a PerceiverIO backbone to further construct a latent tokenization of neural population activities. Utilizing this architecture and training framework, we construct a large-scale multi-session model trained on large datasets from seven nonhuman primates, spanning over 158 different sessions of recording from over 27,373 neural units and over 100 hours of recordings. In a number of different tasks, we demonstrate that our pretrained model can be rapidly adapted to new, unseen sessions with unspecified neuron correspondence, enabling few-shot performance with minimal labels. This work presents a powerful new approach for building deep learning tools to analyze neural data and stakes out a clear path to training at scale for neural decoding models.

We present a novel actor-critic algorithm for an environment with delayed feedback, which addresses the state-space explosion problem of conventional approaches. Conventional approaches use an augmented state constructed from the last observed state and actions executed since visiting the last observed state. Using the augmented state space, the correct Markov decision process for delayed environments can be constructed; however, this causes the state space to explode as the number of delayed timesteps increases, leading to slow convergence. Our proposed algorithm, called Belief-Projection-Based Q-learning (BPQL), addresses the state-space explosion problem by evaluating the values of the critic for which the input state size is equal to the original state-space size rather than that of the augmented one. We compare BPQL to traditional approaches in continuous control tasks and demonstrate that it significantly outperforms other algorithms in terms of asymptotic performance and sample efficiency. We also show that BPQL solves long-delayed environments, which conventional approaches are unable to do.

Training Generative Adversarial Networks (GANs) remains a challenging problem. The discriminator trains the generator by learning the distribution of real/generated data. However, the distribution of generated data changes throughout the training process, which is difficult for the discriminator to learn. In this paper, we propose a novel method for GANs from the viewpoint of online continual learning. We observe that the discriminator model, trained on historically generated data, often slows down its adaptation to the changes in the new arrival generated data, which accordingly decreases the quality of generated results. By treating the generated data in training as a stream, we propose to detect whether the discriminator slows down the learning of new knowledge in generated data. Therefore, we can explicitly enforce the discriminator to learn new knowledge fast. Particularly, we propose a new discriminator, which automatically detects its retardation and then dynamically masks its features, such that the discriminator can adaptively learn the temporally-vary distribution of generated data. Experimental results show our method outperforms the state-of-the-art approaches.

Proteins play a critical role in carrying out biological functions, and their 3D structures are essential in determining their functions. Accurately predicting the conformation of protein side-chains given their backbones is important for applications in protein structure prediction, design and protein-protein interactions. Traditional methods are computationally intensive and have limited accuracy, while existing machine learning methods treat the problem as a regression task and overlook the restrictions imposed by the constant covalent bond lengths and angles. In this work, we present DiffPack, a torsional diffusion model that learns the joint distribution of side-chain torsional angles, the only degrees of freedom in side-chain packing, by diffusing and denoising on the torsional space. To avoid issues arising from simultaneous perturbation of all four torsional angles, we propose autoregressively generating the four torsional angles from $\chi_1$ to $\chi_4$ and training diffusion models for each torsional angle. We evaluate the method on several benchmarks for protein side-chain packing and show that our method achieves improvements of 11.9% and 13.5% in angle accuracy on CASP13 and CASP14, respectively, with a significantly smaller model size ($60\times$ fewer parameters). Additionally, we show the effectiveness of our method in enhancing side-chain predictions in the AlphaFold2 model. Code is available at https://github.com/DeepGraphLearning/DiffPack.

This paper provides a comprehensive error analysis of learning with vector-valued random features (RF). The theory is developed for RF ridge regression in a fully general infinite-dimensional input-output setting, but nonetheless applies to and improves existing finite-dimensional analyses. In contrast to comparable work in the literature, the approach proposed here relies on a direct analysis of the underlying risk functional and completely avoids the explicit RF ridge regression solution formula in terms of random matrices. This removes the need for concentration results in random matrix theory or their generalizations to random operators. The main results established in this paper include strong consistency of vector-valued RF estimators under model misspecification and minimax optimal convergence rates in the well-specified setting. The parameter complexity (number of random features) and sample complexity (number of labeled data) required to achieve such rates are comparable with Monte Carlo intuition and free from logarithmic factors.

Offline safe reinforcement learning (RL) algorithms promise to learn policies that satisfy safety constraints directly in offline datasets without interacting with the environment. This arrangement is particularly important in scenarios with high sampling costs and potential dangers, such as autonomous driving and robotics. However, the influence of safety constraints and out-of-distribution (OOD) actions have made it challenging for previous methods to achieve high reward returns while ensuring safety. In this work, we propose a Variational Optimization with Conservative Eestimation algorithm (VOCE) to solve the problem of optimizing safety policies in the offline dataset. Concretely, we reframe the problem of offline safe RL using probabilistic inference, which introduces variational distributions to make the optimization of policies more flexible. Subsequently, we utilize pessimistic estimation methods to estimate the Q-value of cost and reward, which mitigates the extrapolation errors induced by OOD actions. Finally, extensive experiments demonstrate that the VOCE algorithm achieves competitive performance across multiple experimental tasks, particularly outperforming state-of-the-art algorithms in terms of safety.