Designing BERT for Convolutional Networks: Sparse and Hierarchical Masked Modeling

We identify and overcome two key obstacles in extending the success of BERT-style pre-training, or the masked image modeling, to convolutional networks (convnets): (i) convolution operation cannot handle irregular, random-masked input images; (ii) the single-scale nature of BERT pre-training is inconsistent with convnet's hierarchical structure. For (i), we treat unmasked pixels as sparse voxels of 3D point clouds and use sparse convolution to encode. This is the first use of sparse convolution for 2D masked modeling. For (ii), we develop a hierarchical decoder to reconstruct images from multi-scale encoded features. Our method called Sparse masKed modeling (SparK) is general: it can be used directly on any convolutional model without backbone modifications. We validate it on both classical (ResNet) and modern (ConvNeXt) models: on three downstream tasks, it surpasses both state-of-the-art contrastive learning and transformer-based masked modeling by similarly large margins (around +1.0%). Improvements on object detection and instance segmentation are more substantial (up to +3.5%), verifying the strong transferability of features learned. We also find its favorable scaling behavior by observing more gains on larger models. All this evidence reveals a promising future of generative pre-training on convnets. Codes and models are released at https://github.com/keyu-tian/SparK.

Discrimination, calibration, and point estimate accuracy of GRU-D-Weibull architecture for real-time individualized endpoint prediction

Real-time individual endpoint prediction has always been a challenging task but of great clinic utility for both patients and healthcare providers. With 6,879 chronic kidney disease stage 4 (CKD4) patients as a use case, we explored the feasibility and performance of gated recurrent units with decay that models Weibull probability density function (GRU-D-Weibull) as a semi-parametric longitudinal model for real-time individual endpoint prediction. GRU-D-Weibull has a maximum C-index of 0.77 at 4.3 years of follow-up, compared to 0.68 achieved by competing models. The L1-loss of GRU-D-Weibull is ~66% of XGB(AFT), ~60% of MTLR, and ~30% of AFT model at CKD4 index date. The average absolute L1-loss of GRU-D-Weibull is around one year, with a minimum of 40% Parkes serious error after index date. GRU-D-Weibull is not calibrated and significantly underestimates true survival probability. Feature importance tests indicate blood pressure becomes increasingly important during follow-up, while eGFR and blood albumin are less important. Most continuous features have non-linear/parabola impact on predicted survival time, and the results are generally consistent with existing knowledge. GRU-D-Weibull as a semi-parametric temporal model shows advantages in built-in parameterization of missing, native support for asynchronously arrived measurement, capability of output both probability and point estimates at arbitrary time point for arbitrary prediction horizon, improved discrimination and point estimate accuracy after incorporating newly arrived data. Further research on its performance with more comprehensive input features, in-process or post-process calibration are warranted to benefit CKD4 or alike terminally-ill patients.

A Unified Mutual Supervision Framework for Referring Expression Segmentation and Generation

Reference Expression Segmentation (RES) and Reference Expression Generation (REG) are mutually inverse tasks that can be naturally jointly trained. Though recent work has explored such joint training, the mechanism of how RES and REG can benefit each other is still unclear. In this paper, we propose a unified mutual supervision framework that enables two tasks to improve each other. Our mutual supervision contains two directions. On the one hand, Disambiguation Supervision leverages the expression unambiguity measurement provided by RES to enhance the language generation of REG. On the other hand, Generation Supervision uses expressions automatically generated by REG to scale up the training of RES. Such unified mutual supervision effectively improves two tasks by solving their bottleneck problems. Extensive experiments show that our approach significantly outperforms all existing methods on REG and RES tasks under the same setting, and detailed ablation studies demonstrate the effectiveness of all components in our framework.

Eliciting Knowledge from Large Pre-Trained Models for Unsupervised Knowledge-Grounded Conversation

Recent advances in large-scale pre-training provide large models with the potential to learn knowledge from the raw text. It is thus natural to ask whether it is possible to leverage these large models as knowledge bases for downstream tasks. In this work, we answer the aforementioned question in unsupervised knowledge-grounded conversation. We explore various methods that best elicit knowledge from large models. Our human study indicates that, though hallucinations exist, large models post the unique advantage of being able to output common sense and summarize facts that cannot be directly retrieved from the search engine. To better exploit such generated knowledge in dialogue generation, we treat the generated knowledge as a noisy knowledge source and propose the posterior-based reweighing as well as the noisy training strategy. Empirical results on two benchmarks show advantages over the state-of-the-art methods.

A Posterior Sampling Framework for Interactive Decision Making

We study sample efficient reinforcement learning (RL) under the general framework of interactive decision making, which includes Markov decision process (MDP), partially observable Markov decision process (POMDP), and predictive state representation (PSR) as special cases. Toward finding the minimum assumption that empowers sample efficient learning, we propose a novel complexity measure, generalized eluder coefficient (GEC), which characterizes the fundamental tradeoff between exploration and exploitation in online interactive decision making. In specific, GEC captures the hardness of exploration by comparing the error of predicting the performance of the updated policy with the in-sample training error evaluated on the historical data. We show that RL problems with low GEC form a remarkably rich class, which subsumes low Bellman eluder dimension problems, bilinear class, low witness rank problems, PO-bilinear class, and generalized regular PSR, where generalized regular PSR, a new tractable PSR class identified by us, includes nearly all known tractable POMDPs. Furthermore, in terms of algorithm design, we propose a generic posterior sampling algorithm, which can be implemented in both model-free and model-based fashion, under both fully observable and partially observable settings. The proposed algorithm modifies the standard posterior sampling algorithm in two aspects: (i) we use an optimistic prior distribution that biases towards hypotheses with higher values and (ii) a loglikelihood function is set to be the empirical loss evaluated on the historical data, where the choice of loss function supports both model-free and model-based learning. We prove that the proposed algorithm is sample efficient by establishing a sublinear regret upper bound in terms of GEC. In summary, we provide a new and unified understanding of both fully observable and partially observable RL.

Provable Sim-to-real Transfer in Continuous Domain with Partial Observations

Sim-to-real transfer trains RL agents in the simulated environments and then deploys them in the real world. Sim-to-real transfer has been widely used in practice because it is often cheaper, safer and much faster to collect samples in simulation than in the real world. Despite the empirical success of the sim-to-real transfer, its theoretical foundation is much less understood. In this paper, we study the sim-to-real transfer in continuous domain with partial observations, where the simulated environments and real-world environments are modeled by linear quadratic Gaussian (LQG) systems. We show that a popular robust adversarial training algorithm is capable of learning a policy from the simulated environment that is competitive to the optimal policy in the real-world environment. To achieve our results, we design a new algorithm for infinite-horizon average-cost LQGs and establish a regret bound that depends on the intrinsic complexity of the model class. Our algorithm crucially relies on a novel history clipping scheme, which might be of independent interest.

On the Power of Pre-training for Generalization in RL: Provable Benefits and Hardness

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

CAGroup3D: Class-Aware Grouping for 3D Object Detection on Point Clouds

We present a novel two-stage fully sparse convolutional 3D object detection framework, named CAGroup3D. Our proposed method first generates some high-quality 3D proposals by leveraging the class-aware local group strategy on the object surface voxels with the same semantic predictions, which considers semantic consistency and diverse locality abandoned in previous bottom-up approaches. Then, to recover the features of missed voxels due to incorrect voxel-wise segmentation, we build a fully sparse convolutional RoI pooling module to directly aggregate fine-grained spatial information from backbone for further proposal refinement. It is memory-and-computation efficient and can better encode the geometry-specific features of each 3D proposal. Our model achieves state-of-the-art 3D detection performance with remarkable gains of +\textit{3.6\%} on ScanNet V2 and +\textit{2.6}\% on SUN RGB-D in term of mAP@0.25. Code will be available at https://github.com/Haiyang-W/CAGroup3D.

One Transformer Can Understand Both 2D & 3D Molecular Data

Unlike vision and language data which usually has a unique format, molecules can naturally be characterized using different chemical formulations. One can view a molecule as a 2D graph or define it as a collection of atoms located in a 3D space. For molecular representation learning, most previous works designed neural networks only for a particular data format, making the learned models likely to fail for other data formats. We believe a general-purpose neural network model for chemistry should be able to handle molecular tasks across data modalities. To achieve this goal, in this work, we develop a novel Transformer-based Molecular model called Transformer-M, which can take molecular data of 2D or 3D formats as input and generate meaningful semantic representations. Using the standard Transformer as the backbone architecture, Transformer-M develops two separated channels to encode 2D and 3D structural information and incorporate them with the atom features in the network modules. When the input data is in a particular format, the corresponding channel will be activated, and the other will be disabled. By training on 2D and 3D molecular data with properly designed supervised signals, Transformer-M automatically learns to leverage knowledge from different data modalities and correctly capture the representations. We conducted extensive experiments for Transformer-M. All empirical results show that Transformer-M can simultaneously achieve strong performance on 2D and 3D tasks, suggesting its broad applicability. The code and models will be made publicly available at https://github.com/lsj2408/Transformer-M.

Rethinking Lipschitz Neural Networks for Certified L-infinity Robustness

Designing neural networks with bounded Lipschitz constant is a promising way to obtain certifiably robust classifiers against adversarial examples. However, the relevant progress for the important $\ell_\infty$ perturbation setting is rather limited, and a principled understanding of how to design expressive $\ell_\infty$ Lipschitz networks is still lacking. In this paper, we bridge the gap by studying certified $\ell_\infty$ robustness from a novel perspective of representing Boolean functions. We derive two fundamental impossibility results that hold for any standard Lipschitz network: one for robust classification on finite datasets, and the other for Lipschitz function approximation. These results identify that networks built upon norm-bounded affine layers and Lipschitz activations intrinsically lose expressive power even in the two-dimensional case, and shed light on how recently proposed Lipschitz networks (e.g., GroupSort and $\ell_\infty$-distance nets) bypass these impossibilities by leveraging order statistic functions. Finally, based on these insights, we develop a unified Lipschitz network that generalizes prior works, and design a practical version that can be efficiently trained (making certified robust training free). Extensive experiments show that our approach is scalable, efficient, and consistently yields better certified robustness across multiple datasets and perturbation radii than prior Lipschitz networks.