OpenRaiser/Intern-Atlas huggingface dataset:
DeepInteraction: 3D Object Detection via Modality Interaction
Venue: Conference NeurIPS 2022
Year: 2022

Existing top-performance 3D object detectors typically rely on the multi-modal fusion strategy. This design is however fundamentally restricted due to overlooking the modality-specific useful information and finally hampering the model performance. To address this limitation, in this work we introduce a novel modality interaction strategy where individual per-modality representations are learned and maintained throughout for enabling their unique characteristics to be exploited during object detection. To realize this proposed strategy, we design a DeepInteraction architecture characterized by a multi-modal representational interaction encoder and a multi-modal predictive interaction decoder. Experiments on the large-scale nuScenes dataset show that our proposed method surpasses all prior arts often by a large margin. Crucially, our method is ranked at the first position at the highly competitive nuScenes object detection leaderboard.
Deep Differentiable Logic Gate Networks
Venue: Conference NeurIPS 2022
Year: 2022

Recently, research has increasingly focused on developing efficient neural network architectures. In this work, we explore logic gate networks for machine learning tasks by learning combinations of logic gates. These networks comprise logic gates such as "AND" and "XOR", which allow for very fast execution. The difficulty in learning logic gate networks is that they are conventionally non-differentiable and therefore do not allow training with gradient descent. Thus, to allow for effective training, we propose differentiable logic gate networks, an architecture that combines real-valued logics and a continuously parameterized relaxation of the network. The resulting discretized logic gate networks achieve fast inference speeds, e.g., beyond a million images of MNIST per second on a single CPU core.
Maximizing and Satisficing in Multi-armed Bandits with Graph Information
Venue: Conference NeurIPS 2022
Year: 2022

Pure exploration in multi-armed bandits has emerged as an important framework for modeling decision-making and search under uncertainty. In modern applications, however, one is often faced with a tremendously large number of options. Even obtaining one observation per option may be too costly rendering traditional pure exploration algorithms ineffective. Fortunately, one often has access to similar relationships amongst the options that can be leveraged. In this paper, we consider the pure exploration problem in stochastic multi-armed bandits where the similarities between the arms are captured by a graph and the rewards may be represented as a smooth signal on this graph. In particular, we consider the problem of finding the arm with the maximum reward (i.e., the maximizing problem) or one with a sufficiently high reward (i.e., the satisficing problem) under this model. We propose novel algorithms \textbf{\algoname{}} (GRaph-based UcB) and $ζ$-\textbf{\algoname{}} for these problems and provide a theoretical characterization of their performance which specifically elicits the benefit of the graph side information. We also prove a lower bound on the data requirement, showing a large class of problems where these algorithms are near-optimal. We complement our theory with experimental results that show the benefit of capitalizing on such side information.
GOOD: A Graph Out-of-Distribution Benchmark
Venue: Conference NeurIPS 2022
Year: 2022

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of research. Currently, there lacks a systematic benchmark tailored to graph OOD method evaluation. In this work, we aim at developing an OOD benchmark, known as GOOD, for graphs specifically. We explicitly make distinctions between covariate and concept shifts and design data splits that accurately reflect different shifts. We consider both graph and node prediction tasks as there are key differences in designing shifts. Overall, GOOD contains 11 datasets with 17 domain selections. When combined with covariate, concept, and no shifts, we obtain 51 different splits. We provide performance results on 10 commonly used baseline methods with 10 random runs. This results in 510 dataset-model combinations in total. Our results show significant performance gaps between in-distribution and OOD settings. Our results also shed light on different performance trends between covariate and concept shifts by different methods. Our GOOD benchmark is a growing project and expects to expand in both quantity and variety of resources as the area develops. The GOOD benchmark can be accessed via https://github.com/divelab/GOOD/.
CascadeXML: Rethinking Transformers for End-to-end Multi-resolution Training in Extreme Multi-label Classification
Venue: Conference NeurIPS 2022
Year: 2022

Extreme Multi-label Text Classification (XMC) involves learning a classifier that can assign an input with a subset of most relevant labels from millions of label choices. Recent approaches, such as XR-Transformer and LightXML, leverage a transformer instance to achieve state-of-the-art performance. However, in this process, these approaches need to make various trade-offs between performance and computational requirements. A major shortcoming, as compared to the Bi-LSTM based AttentionXML, is that they fail to keep separate feature representations for each resolution in a label tree. We thus propose CascadeXML, an end-to-end multi-resolution learning pipeline, which can harness the multi-layered architecture of a transformer model for attending to different label resolutions with separate feature representations. CascadeXML significantly outperforms all existing approaches with non-trivial gains obtained on benchmark datasets consisting of up to three million labels. Code for CascadeXML will be made publicly available at \url{https://github.com/xmc-aalto/cascadexml}.
Unsupervised Multi-Object Segmentation by Predicting Probable Motion Patterns
Venue: Conference NeurIPS 2022
Year: 2022

We propose a new approach to learn to segment multiple image objects without manual supervision. The method can extract objects form still images, but uses videos for supervision. While prior works have considered motion for segmentation, a key insight is that, while motion can be used to identify objects, not all objects are necessarily in motion: the absence of motion does not imply the absence of objects. Hence, our model learns to predict image regions that are likely to contain motion patterns characteristic of objects moving rigidly. It does not predict specific motion, which cannot be done unambiguously from a still image, but a distribution of possible motions, which includes the possibility that an object does not move at all. We demonstrate the advantage of this approach over its deterministic counterpart and show state-of-the-art unsupervised object segmentation performance on simulated and real-world benchmarks, surpassing methods that use motion even at test time. As our approach is applicable to variety of network architectures that segment the scenes, we also apply it to existing image reconstruction-based models showing drastic improvement. Project page and code: https://www.robots.ox.ac.uk/~vgg/research/ppmp .
What You See is What You Get: Principled Deep Learning via Distributional Generalization
Venue: Conference NeurIPS 2022
Year: 2022

Having similar behavior at training time and test time $-$ what we call a "What You See Is What You Get" (WYSIWYG) property $-$ is desirable in machine learning. Models trained with standard stochastic gradient descent (SGD), however, do not necessarily have this property, as their complex behaviors such as robustness or subgroup performance can differ drastically between training and test time. In contrast, we show that Differentially-Private (DP) training provably ensures the high-level WYSIWYG property, which we quantify using a notion of distributional generalization. Applying this connection, we introduce new conceptual tools for designing deep-learning methods by reducing generalization concerns to optimization ones: to mitigate unwanted behavior at test time, it is provably sufficient to mitigate this behavior on the training data. By applying this novel design principle, which bypasses "pathologies" of SGD, we construct simple algorithms that are competitive with SOTA in several distributional-robustness applications, significantly improve the privacy vs. disparate impact trade-off of DP-SGD, and mitigate robust overfitting in adversarial training. Finally, we also improve on theoretical bounds relating DP, stability, and distributional generalization.
Towards Understanding the Condensation of Neural Networks at Initial Training
Venue: Conference NeurIPS 2022
Year: 2022

Empirical works show that for ReLU neural networks (NNs) with small initialization, input weights of hidden neurons (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) condense on isolated orientations. The condensation dynamics implies that the training implicitly regularizes a NN towards one with a much smaller effective size. In this work, we illustrate the formation of the condensation in multi-layer fully connected NNs and show that the maximal number of condensed orientations in the initial training stage is twice the multiplicity of the activation function, where "multiplicity" indicates the multiple roots of activation function at origin. Our theoretical analysis confirms experiments for two cases, one is for the activation function of multiplicity one with arbitrary dimension input, which contains many common activation functions, and the other is for the layer with one-dimensional input and arbitrary multiplicity. This work makes a step towards understanding how small initialization leads NNs to condensation at the initial training stage.
GAPX: Generalized Autoregressive Paraphrase-Identification X
Venue: Conference NeurIPS 2022
Year: 2022

Paraphrase Identification is a fundamental task in Natural Language Processing. While much progress has been made in the field, the performance of many state-of-the-art models often suffer from distribution shift during inference time. We verify that a major source of this performance drop comes from biases introduced by negative examples. To overcome these biases, we propose in this paper to train two separate models, one that only utilizes the positive pairs and the other the negative pairs. This enables us the option of deciding how much to utilize the negative model, for which we introduce a perplexity based out-of-distribution metric that we show can effectively and automatically determine how much weight it should be given during inference. We support our findings with strong empirical results.
Learning to Accelerate Partial Differential Equations via Latent Global Evolution
Venue: Conference NeurIPS 2022
Year: 2022

Simulating the time evolution of Partial Differential Equations (PDEs) of large-scale systems is crucial in many scientific and engineering domains such as fluid dynamics, weather forecasting and their inverse optimization problems. However, both classical solvers and recent deep learning-based surrogate models are typically extremely computationally intensive, because of their local evolution: they need to update the state of each discretized cell at each time step during inference. Here we develop Latent Evolution of PDEs (LE-PDE), a simple, fast and scalable method to accelerate the simulation and inverse optimization of PDEs. LE-PDE learns a compact, global representation of the system and efficiently evolves it fully in the latent space with learned latent evolution models. LE-PDE achieves speed-up by having a much smaller latent dimension to update during long rollout as compared to updating in the input space. We introduce new learning objectives to effectively learn such latent dynamics to ensure long-term stability. We further introduce techniques for speeding-up inverse optimization of boundary conditions for PDEs via backpropagation through time in latent space, and an annealing technique to address the non-differentiability and sparse interaction of boundary conditions. We test our method in a 1D benchmark of nonlinear PDEs, 2D Navier-Stokes flows into turbulent phase and an inverse optimization of boundary conditions in 2D Navier-Stokes flow. Compared to state-of-the-art deep learning-based surrogate models and other strong baselines, we demonstrate up to 128x reduction in the dimensions to update, and up to 15x improvement in speed, while achieving competitive accuracy.
Monte Carlo Augmented Actor-Critic for Sparse Reward Deep Reinforcement Learning from Suboptimal Demonstrations
Venue: Conference NeurIPS 2022
Year: 2022

Providing densely shaped reward functions for RL algorithms is often exceedingly challenging, motivating the development of RL algorithms that can learn from easier-to-specify sparse reward functions. This sparsity poses new exploration challenges. One common way to address this problem is using demonstrations to provide initial signal about regions of the state space with high rewards. However, prior RL from demonstrations algorithms introduce significant complexity and many hyperparameters, making them hard to implement and tune. We introduce Monte Carlo Augmented Actor Critic (MCAC), a parameter free modification to standard actor-critic algorithms which initializes the replay buffer with demonstrations and computes a modified $Q$-value by taking the maximum of the standard temporal distance (TD) target and a Monte Carlo estimate of the reward-to-go. This encourages exploration in the neighborhood of high-performing trajectories by encouraging high $Q$-values in corresponding regions of the state space. Experiments across $5$ continuous control domains suggest that MCAC can be used to significantly increase learning efficiency across $6$ commonly used RL and RL-from-demonstrations algorithms. See https://sites.google.com/view/mcac-rl for code and supplementary material.
Scalable Representation Learning in Linear Contextual Bandits with Constant Regret Guarantees
Venue: Conference NeurIPS 2022
Year: 2022

We study the problem of representation learning in stochastic contextual linear bandits. While the primary concern in this domain is usually to find realizable representations (i.e., those that allow predicting the reward function at any context-action pair exactly), it has been recently shown that representations with certain spectral properties (called HLS) may be more effective for the exploration-exploitation task, enabling LinUCB to achieve constant (i.e., horizon-independent) regret. In this paper, we propose BanditSRL, a representation learning algorithm that combines a novel constrained optimization problem to learn a realizable representation with good spectral properties with a generalized likelihood ratio test to exploit the recovered representation and avoid excessive exploration. We prove that BanditSRL can be paired with any no-regret algorithm and achieve constant regret whenever an HLS representation is available. Furthermore, BanditSRL can be easily combined with deep neural networks and we show how regularizing towards HLS representations is beneficial in standard benchmarks.
Why neural networks find simple solutions:  The many regularizers of geometric complexity
Venue: Conference NeurIPS 2022
Year: 2022

In many contexts, simpler models are preferable to more complex models and the control of this model complexity is the goal for many methods in machine learning such as regularization, hyperparameter tuning and architecture design. In deep learning, it has been difficult to understand the underlying mechanisms of complexity control, since many traditional measures are not naturally suitable for deep neural networks. Here we develop the notion of geometric complexity, which is a measure of the variability of the model function, computed using a discrete Dirichlet energy. Using a combination of theoretical arguments and empirical results, we show that many common training heuristics such as parameter norm regularization, spectral norm regularization, flatness regularization, implicit gradient regularization, noise regularization and the choice of parameter initialization all act to control geometric complexity, providing a unifying framework in which to characterize the behavior of deep learning models.
Efficiently Computing Local Lipschitz Constants of Neural Networks via Bound Propagation
Venue: Conference NeurIPS 2022
Year: 2022

Lipschitz constants are connected to many properties of neural networks, such as robustness, fairness, and generalization. Existing methods for computing Lipschitz constants either produce relatively loose upper bounds or are limited to small networks. In this paper, we develop an efficient framework for computing the $\ell_\infty$ local Lipschitz constant of a neural network by tightly upper bounding the norm of Clarke Jacobian via linear bound propagation. We formulate the computation of local Lipschitz constants with a linear bound propagation process on a high-order backward graph induced by the chain rule of Clarke Jacobian. To enable linear bound propagation, we derive tight linear relaxations for specific nonlinearities in Clarke Jacobian. This formulate unifies existing ad-hoc approaches such as RecurJac, which can be seen as a special case of ours with weaker relaxations. The bound propagation framework also allows us to easily borrow the popular Branch-and-Bound (BaB) approach from neural network verification to further tighten Lipschitz constants. Experiments show that on tiny models, our method produces comparable bounds compared to exact methods that cannot scale to slightly larger models; on larger models, our method efficiently produces tighter results than existing relaxed or naive methods, and our method scales to much larger practical models that previous works could not handle. We also demonstrate an application on provable monotonicity analysis. Code is available at https://github.com/shizhouxing/Local-Lipschitz-Constants.
Riemannian Score-Based Generative Modelling
Venue: Conference NeurIPS 2022
Year: 2022

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.
Intra-agent speech permits zero-shot task acquisition
Venue: Conference NeurIPS 2022
Year: 2022

Human language learners are exposed to a trickle of informative, context-sensitive language, but a flood of raw sensory data. Through both social language use and internal processes of rehearsal and practice, language learners are able to build high-level, semantic representations that explain their perceptions. Here, we take inspiration from such processes of "inner speech" in humans (Vygotsky, 1934) to better understand the role of intra-agent speech in embodied behavior. First, we formally pose intra-agent speech as a semi-supervised problem and develop two algorithms that enable visually grounded captioning with little labeled language data. We then experimentally compute scaling curves over different amounts of labeled data and compare the data efficiency against a supervised learning baseline. Finally, we incorporate intra-agent speech into an embodied, mobile manipulator agent operating in a 3D virtual world, and show that with as few as 150 additional image captions, intra-agent speech endows the agent with the ability to manipulate and answer questions about a new object without any related task-directed experience (zero-shot). Taken together, our experiments suggest that modelling intra-agent speech is effective in enabling embodied agents to learn new tasks efficiently and without direct interaction experience.
The Minority Matters: A Diversity-Promoting Collaborative Metric Learning Algorithm
Venue: Conference NeurIPS 2022
Year: 2022

Collaborative Metric Learning (CML) has recently emerged as a popular method in recommendation systems (RS), closing the gap between metric learning and Collaborative Filtering. Following the convention of RS, existing methods exploit unique user representation in their model design. This paper focuses on a challenging scenario where a user has multiple categories of interests. Under this setting, we argue that the unique user representation might induce preference bias, especially when the item category distribution is imbalanced. To address this issue, we propose a novel method called \textit{Diversity-Promoting Collaborative Metric Learning} (DPCML), with the hope of considering the commonly ignored minority interest of the user. The key idea behind DPCML is to include a multiple set of representations for each user in the system. Based on this embedding paradigm, user preference toward an item is aggregated from different embeddings by taking the minimum item-user distance among the user embedding set. Furthermore, we observe that the diversity of the embeddings for the same user also plays an essential role in the model. To this end, we propose a \textit{diversity control regularization} term to accommodate the multi-vector representation strategy better. Theoretically, we show that DPCML could generalize well to unseen test data by tackling the challenge of the annoying operation that comes from the minimum value. Experiments over a range of benchmark datasets speak to the efficacy of DPCML.
Open-Ended Reinforcement Learning with Neural Reward Functions
Venue: Conference NeurIPS 2022
Year: 2022

Inspired by the great success of unsupervised learning in Computer Vision and Natural Language Processing, the Reinforcement Learning community has recently started to focus more on unsupervised discovery of skills. Most current approaches, like DIAYN or DADS, optimize some form of mutual information objective. We propose a different approach that uses reward functions encoded by neural networks. These are trained iteratively to reward more complex behavior. In high-dimensional robotic environments our approach learns a wide range of interesting skills including front-flips for Half-Cheetah and one-legged running for Humanoid. In the pixel-based Montezuma's Revenge environment our method also works with minimal changes and it learns complex skills that involve interacting with items and visiting diverse locations. The implementation of our approach can be found in this link: https://github.com/amujika/Open-Ended-Reinforcement-Learning-with-Neural-Reward-Functions.