ICLR 2023 论文列表

Stabilization of the systems described by \textit{stochastic delay}-differential equations (SDDEs) under preset conditions is a challenging task in the control community. Here, to achieve this task, we leverage neural networks to learn control policies using the information of the controlled systems in some prescribed regions. Specifically, two learned control policies, i.e., the neural deterministic controller (NDC) and the neural stochastic controller (NSC), work effectively in the learning procedures that rely on, respectively, the well-known LaSalle-type theorem and the newly-established theorem for guaranteeing the stochastic stability in SDDEs. We theoretically investigate the performance of the proposed controllers in terms of convergence time and energy cost. More practically and significantly, we improve our learned control policies through considering the situation where the controlled trajectories only evolve in some specific safety set. {\color{black} The practical validity of such control policies restricted in safety set is attributed to the theory that we further develop for safety and stability guarantees in SDDEs using the stochastic control barrier function and the spatial discretization}. We call this control as SYNC (\textbf{S}afet\textbf{Y}-aware \textbf{N}eural \textbf{C}ontrol). The efficacy of all the articulated control policies, including the SYNC, is demonstrated systematically by using representative control problems.

Continuous-time (CT) modeling has proven to provide improved sample efficiency and interpretability in learning the dynamical behavior of physical systems compared to discrete-time (DT) models. However, even with numerous recent developments, the CT nonlinear state-space (NL-SS) model identification problem remains to be solved in full, considering common experimental aspects such as the presence of external inputs, measurement noise, latent states, and general robustness. This paper presents a novel estimation method that addresses all these aspects and that can obtain state-of-the-art results on multiple benchmarks with compact fully connected neural networks capturing the CT dynamics. The proposed estimation method called the subspace encoder approach (SUBNET) ascertains these results by efficiently approximating the complete simulation loss by evaluating short simulations on subsections of the data, by using an encoder function to estimate the initial state for each subsection and a novel state-derivative normalization to ensure stability and good numerical conditioning of the training process. We prove that the use of subsections increases cost function smoothness together with the necessary requirements for the existence of the encoder function and we show that the proposed state-derivative normalization is essential for reliable estimation of CT NL-SS models.

Predicting the pose of objects from a single image is an important but difficult computer vision problem. Methods that predict a single point estimate do not predict the pose of objects with symmetries well and cannot represent uncertainty. Alternatively, some works predict a distribution over orientations in $\mathrm{SO}(3)$. However, training such models can be computation- and sample-inefficient. Instead, we propose a novel mapping of features from the image domain to the 3D rotation manifold. Our method then leverages $\mathrm{SO}(3)$ equivariant layers, which are more sample efficient, and outputs a distribution over rotations that can be sampled at arbitrary resolution. We demonstrate the effectiveness of our method at object orientation prediction, and achieve state-of-the-art performance on the popular PASCAL3D+ dataset. Moreover, we show that our method can model complex object symmetries, without any modifications to the parameters or loss function. Code is available at \url{https://dmklee.github.io/image2sphere}.

Concept-based interpretations of black-box models are often more intuitive for humans to understand. The most widely adopted approach for concept-based, gradient interpretation is Concept Activation Vector (CAV). CAV relies on learning a linear relation between some latent representation of a given model and concepts. The premise of meaningful concepts lying in a linear subspace of model layers is usually implicitly assumed but does not hold true in general. In this work we proposed Concept Gradient (CG), which extends concept-based, gradient interpretation methods to non-linear concept functions. We showed that for a general (potentially non-linear) concept, we can mathematically measure how a small change of concept affects the model’s prediction, which is an extension of gradient-based interpretation to the concept space. We demonstrated empirically that CG outperforms CAV in attributing concept importance on real world datasets and performed case study on a medical dataset. The code is available at github.com/jybai/concept-gradients.

The ability to decompose complex natural scenes into meaningful object-centric abstractions lies at the core of human perception and reasoning. In the recent culmination of unsupervised object-centric learning, the Slot-Attention module has played an important role with its simple yet effective design and fostered many powerful variants. These methods, however, have been exceedingly difficult to train without supervision and are ambiguous in the notion of object, especially for complex natural scenes. In this paper, we propose to address these issues by investigating the potential of learnable queries as initializations for Slot-Attention learning, uniting it with efforts from existing attempts on improving Slot-Attention learning with bi-level optimization. With simple code adjustments on Slot-Attention, our model, Bi-level Optimized Query Slot Attention, achieves state-of-the-art results on 3 challenging synthetic and 7 complex real-world datasets in unsupervised image segmentation and reconstruction, outperforming previous baselines by a large margin. We provide thorough ablative studies to validate the necessity and effectiveness of our design. Additionally, our model exhibits great potential for concept binding and zero-shot learning. Our work is made publicly available at https://bo-qsa.github.io.

It is well known that the finite step-size ($h$) in Gradient descent (GD) implicitly regularizes solutions to flatter minimas. A natural question to ask is \textit{Does the momentum parameter $\beta$ (say) play a role in implicit regularization in Heavy-ball (H.B) momentum accelerated gradient descent (GD+M)?}. To answer this question, first, we show that the trajectory traced by discrete H.B momentum update (GD+M) is $O(h^2)$ close to a continuous trajectory induced by a modified loss, which consists of an original loss and an implicit regularizer. This implicit regularizer for (GD+M) is indeed stronger than that of (GD) by factor of $(\frac{1+\beta}{1-\beta})$, thus explaining why (GD+M) shows better generalization performance and higher test accuracy than (GD). Furthermore, we extend our analysis to stochastic version of gradient descent with momentum (SGD+M) and propose a deterministic continuous trajectory that is $O(h^2)$ close to the discrete update of (SGD+M) in a strong approximation sense. We explore the implicit regularization in (SGD+M) and (GD+M) through a series of experiments validating our theory.

Time-dependent data-generating distributions have proven to be difficult for gradient-based training of neural networks, as the greedy updates result in catastrophic forgetting of previously learned knowledge. Despite the progress in the field of continual learning to overcome this forgetting, we show that a set of common state-of-the-art methods still suffers from substantial forgetting upon starting to learn new tasks, except that this forgetting is temporary and followed by a phase of performance recovery. We refer to this intriguing but potentially problematic phenomenon as the stability gap. The stability gap had likely remained under the radar due to standard practice in the field of evaluating continual learning models only after each task. Instead, we establish a framework for continual evaluation that uses per-iteration evaluation and we define a new set of metrics to quantify worst-case performance. Empirically we show that experience replay, constraint-based replay, knowledge-distillation, and parameter regularization methods are all prone to the stability gap; and that the stability gap can be observed in class-, task-, and domain-incremental learning benchmarks. Additionally, a controlled experiment shows that the stability gap increases when tasks are more dissimilar. Finally, by disentangling gradients into plasticity and stability components, we propose a conceptual explanation for the stability gap.

Sleep staging is helpful in assessing sleep quality and diagnosing sleep disorders. However, how to adequately capture the temporal and spatial relations of the brain during sleep remains a challenge. In particular, existing methods cannot adaptively infer spatial-temporal relations of the brain under different sleep stages. In this paper, we propose a novel Bayesian spatial-temporal relation inference neural network, named Bayesian spatial-temporal transformer (BSTT), for sleep staging. Our model is able to adaptively infer brain spatial-temporal relations during sleep for spatial-temporal feature modeling through a well-designed Bayesian relation inference component. Meanwhile, our model also includes a spatial transformer for extracting brain spatial features and a temporal transformer for capturing temporal features. Experiments show that our BSTT outperforms state-of-the-art baselines on ISRUC and MASS datasets. In addition, the visual analysis shows that the spatial-temporal relations obtained by BSTT inference have certain interpretability for sleep staging.

We study the Neural Optimal Transport (NOT) algorithm which uses the general optimal transport formulation and learns stochastic transport plans. We show that NOT with the weak quadratic cost may learn fake plans which are not optimal. To resolve this issue, we introduce kernel weak quadratic costs. We show that they provide improved theoretical guarantees and practical performance. We test NOT with kernel costs on the unpaired image-to-image translation task.

Offline reinforcement learning (RL), which aims at learning good policies from historical data, has received significant attention over the past years. Much effort has focused on improving offline RL practicality by addressing the prevalent issue of partial data coverage through various forms of conservative policy learning. While the majority of algorithms do not have finite- sample guarantees, several provable conservative offline RL algorithms are designed and analyzed within the single-policy concentrability framework that handles partial coverage. Yet, in the nonlinear function approximation setting where confidence intervals are difficult to obtain, existing provable algorithms suffer from computational intractability, prohibitively strong assumptions, and suboptimal statistical rates. In this paper, we leverage the marginalized importance sampling (MIS) formulation of RL and present the first set of offline RL algorithms that are statistically optimal and practical under general function approximation and single-policy concentrability, bypassing the need for uncertainty quantification. We identify that the key to successfully solving the sample-based approximation of the MIS problem is ensuring that certain occupancy validity constraints are nearly satisfied. We enforce these constraints by a novel application of the augmented Lagrangian method and prove the following result: with the MIS formulation, augmented Lagrangian is enough for statistically optimal offline RL. In stark contrast to prior algorithms that induce additional conservatism through methods such as behavior regularization, our approach provably eliminates this need and reinterprets regularizers as "enforcers of occupancy validity" than "promoters of conservatism."

The recent observation of neural power-law scaling relations has made a significant impact in the field of deep learning. A substantial amount of attention has been dedicated as a consequence to the description of scaling laws, although mostly for supervised learning and only to a reduced extent for reinforcement learning frameworks. In this paper we present an extensive study of performance scaling for a cornerstone reinforcement learning algorithm, AlphaZero. On the basis of a relationship between Elo rating, playing strength and power-law scaling, we train AlphaZero agents on the games Connect Four and Pentago and analyze their performance. We find that player strength scales as a power law in neural network parameter count when not bottlenecked by available compute, and as a power of compute when training optimally sized agents. We observe nearly identical scaling exponents for both games. Combining the two observed scaling laws we obtain a power law relating optimal size to compute similar to the ones observed for language models. We find that the predicted scaling of optimal neural network size fits our data for both games. This scaling law implies that previously published state-of-the-art game-playing models are significantly smaller than their optimal size, given the respective compute budgets. We also show that large AlphaZero models are more sample efficient, performing better than smaller models with the same amount of training data.

Cutting planes (cuts) are important for solving mixed-integer linear programs (MILPs), which formulate a wide range of important real-world applications. Cut selection---which aims to select a proper subset of the candidate cuts to improve the efficiency of solving MILPs---heavily depends on (P1) which cuts should be preferred, and (P2) how many cuts should be selected. Although many modern MILP solvers tackle (P1)-(P2) by manually designed heuristics, machine learning offers a promising approach to learn more effective heuristics from MILPs collected from specific applications. However, many existing learning-based methods focus on learning which cuts should be preferred, neglecting the importance of learning the number of cuts that should be selected. Moreover, we observe from extensive empirical results that (P3) what order of selected cuts should be preferred has a significant impact on the efficiency of solving MILPs as well. To address this challenge, we propose a novel hierarchical sequence model (HEM) to learn cut selection policies via reinforcement learning. Specifically, HEM consists of a two-level model: (1) a higher-level model to learn the number of cuts that should be selected, (2) and a lower-level model---that formulates the cut selection task as a sequence to sequence learning problem---to learn policies selecting an ordered subset with the size determined by the higher-level model. To the best of our knowledge, HEM is the first method that can tackle (P1)-(P3) in cut selection simultaneously from a data-driven perspective. Experiments show that HEM significantly improves the efficiency of solving MILPs compared to human-designed and learning-based baselines on both synthetic and large-scale real-world MILPs, including MIPLIB 2017. Moreover, experiments demonstrate that HEM well generalizes to MILPs that are significantly larger than those seen during training.

In this paper, we study how to use masked signal modeling in vision and language (V+L) representation learning. Instead of developing masked language modeling (MLM) and masked image modeling (MIM) independently, we propose to build joint masked vision and language modeling, where the masked signal of one modality is reconstructed with the help from another modality. This is motivated by the nature of image-text paired data that both of the image and the text convey almost the same information but in different formats. The masked signal reconstruction of one modality conditioned on another modality can also implicitly learn cross-modal alignment between language tokens and image patches. Our experiments on various V+L tasks show that the proposed method, along with common V+L alignment losses, not only achieves state-of-the-art performance by using a large amount of data but also outperforms the other competitors by a significant margin in the regimes of limited training data.

Offline reinforcement learning (RL) promises the ability to learn effective policies solely using existing, static datasets, without any costly online interaction. To do so, offline RL methods must handle distributional shift between the dataset and the learned policy. The most common approach is to learn conservative, or lower-bound, value functions, which underestimate the return of OOD actions. However, such methods exhibit one notable drawback: policies optimized on such value functions can only behave according to a fixed, possibly suboptimal, degree of conservatism. However, this can be alleviated if we instead are able to learn policies for varying degrees of conservatism at training time and devise a method to dynamically choose one of them during evaluation. To do so, in this work, we propose learning value functions that additionally condition on the degree of conservatism, which we dub confidence-conditioned value functions. We derive a new form of a Bellman backup that simultaneously learns Q-values for any degree of confidence with high probability. By conditioning on confidence, our value functions enable adaptive strategies during online evaluation by controlling for confidence level using the history of observations thus far. This approach can be implemented in practice by conditioning the Q-function from existing conservative algorithms on the confidence. We theoretically show that our learned value functions produce conservative estimates of the true value at any desired confidence. Finally, we empirically show that our algorithm outperforms existing conservative offline RL algorithms on multiple discrete control domains.

CROSS exchange (CE), a meta-heuristic that solves various vehicle routing problems (VRPs), improves the solutions of VRPs by swapping the sub-tours of the vehicles. Inspired by CE, we propose Neuro CE (NCE), a fundamental operator of \textit{learned} meta-heuristic, to solve various min-max VRPs while overcoming the limitations of CE, i.e., the expensive $\mathcal{O}(n^4)$ search cost. NCE employs graph neural network to predict the cost-decrements (i.e., results of CE searches) and utilizes the predicted cost-decrements to guide the selection of sub-tours for swapping, while reducing the search cost to $\mathcal{O}(n^2)$. As the learning objective of NCE is to predict the cost-decrement, the training can be simply done in a supervised fashion, whose training samples can be easily collected. Despite the simplicity of NCE, numerical results show that the NCE trained with min-max flexible multi-depot VRP (min-max FMDVRP) outperforms the meta-heuristic baselines. More importantly, it significantly outperforms the neural baselines when solving distinctive special cases of min-max FMDVRP (e.g., min-max MDVRP, min-max mTSP, min-max CVRP) without additional training.

Many point-based 3D detectors adopt point-feature sampling strategies to drop some points for efficient inference. These strategies are typically based on fixed and handcrafted rules, making it difficult to handle complicated scenes. Different from them, we propose a Dynamic Ball Query (DBQ) network to adaptively select a subset of input points according to the input features, and assign the feature transform with a suitable receptive field for each selected point. It can be embedded into some state-of-the-art 3D detectors and trained in an end-to-end manner, which significantly reduces the computational cost. Extensive experiments demonstrate that our method can reduce latency by 30%-100% on KITTI, Waymo, and ONCE datasets. Specifically, the inference speed of our detector can reach 162 FPS on KITTI scene, and 30 FPS on Waymo and ONCE scenes without performance degradation. Due to skipping the redundant points, some evaluation metrics show significant improvements.

Neural network classifiers can largely rely on simple spurious features, such as image backgrounds, to make predictions. However, even in these cases, we show that they still often learn core features associated with the desired attributes of the data, contrary to recent findings. Inspired by this insight, we demonstrate that simple last layer retraining can match or outperform state-of-the-art approaches on spurious correlation benchmarks, but with profoundly lower complexity and computational expenses. Moreover, we show that last layer retraining on large ImageNet-trained models can also significantly reduce reliance on background and texture information, improving robustness to covariate shift, after only minutes of training on a single GPU.

The vulnerability of deep neural networks (DNNs) to adversarial examples has attracted great attention in the machine learning community. The problem is related to non-flatness and non-smoothness of normally obtained loss landscapes. Training augmented with adversarial examples (a.k.a., adversarial training) is considered as an effective remedy. In this paper, we highlight that some collaborative examples, nearly perceptually indistinguishable from both adversarial and benign examples yet show extremely lower prediction loss, can be utilized to enhance adversarial training. A novel method is therefore proposed to achieve new state-of-the-arts in adversarial robustness. Code: https://github.com/qizhangli/ST-AT.

Performant Convolutional Neural Network (CNN) architectures must be tailored to specific tasks in order to consider the length, resolution, and dimensionality of the input data. In this work, we tackle the need for problem-specific CNN architectures. We present the Continuous Convolutional Neural Network (CCNN): a single CNN able to process data of arbitrary resolution, dimensionality and length without any structural changes. Its key component are its continuous convolutional kernels which model long-range dependencies at every layer, and thus remove the need of current CNN architectures for task-dependent downsampling and depths. We showcase the generality of our method by using the same architecture for tasks on sequential ($1{\rm D}$), visual ($2{\rm D}$) and point-cloud ($3{\rm D}$) data. Our CCNN matches and often outperforms the current state-of-the-art across all tasks considered.