Hardware-Aware ML

Out-of-distribution (OOD) generalization is a challenging machine learning problem yet highly desirable in many high-stake applications. Existing methods suffer from overly pessimistic modeling with low generalization confidence. As generalizing to arbitrary test distributions is impossible, we hypothesize that further structure on the topology of distributions is crucial in developing strong OOD resilience. To this end, we propose topology-aware robust optimization (TRO) that seamlessly integrates distributional topology in a principled optimization framework. More specifically, TRO solves two optimization objectives: (1) Topology Learning which explores data manifold to uncover the distributional topology; (2) Learning on Topology which exploits the topology to constrain robust optimization for tightly-bounded generalization risks. We theoretically demonstrate the effectiveness of our approach, and empirically show that it significantly outperforms the state of the arts in a wide range of tasks including classification, regression, and semantic segmentation. Moreover, we empirically find the data-driven distributional topology is consistent with domain knowledge, enhancing the explainability of our approach.

Learning high-quality representation is important and essential for visual recognition. Unfortunately, traditional representation learning suffers from fairness issues since the model may learn information of sensitive attributes. Recently, a series of studies have been proposed to improve fairness by explicitly decorrelating target labels and sensitive attributes. Most of these methods, however, rely on the assumption that fully annotated labels on target variable and sensitive attributes are available, which is unrealistic due to the expensive annotation cost. In this paper, we investigate a novel and practical problem of Fair Unsupervised Representation Learning with Partially annotated Sensitive labels (FURL-PS). FURL-PS has two key challenges: 1) how to make full use of the samples that are not annotated with sensitive attributes; 2) how to eliminate bias in the dataset without target labels. To address these challenges, we propose a general Fairness-aware Contrastive Learning (FairCL) framework consisting of two stages. Firstly, we generate contrastive sample pairs, which share the same visual information apart from sensitive attributes, for each instance in the original dataset. In this way, we construct a balanced and unbiased dataset. Then, we execute fair contrastive learning by closing the distance between representations of contrastive sample pairs. Besides, we also propose an unsupervised way to balance the utility and fairness of learned representations by feature reweighting. Extensive experimental results illustrate the effectiveness of our method in terms of fairness and utility, even with very limited sensitive attributes and serious data bias.

It is well-known that for sparse linear bandits, when ignoring the dependency on sparsity which is much smaller than the ambient dimension, the worst-case minimax regret is $\widetilde{\Theta}\left(\sqrt{dT}\right)$ where $d$ is the ambient dimension and $T$ is the number of rounds. On the other hand, in the benign setting where there is no noise and the action set is the unit sphere, one can use divide-and-conquer to achieve $\widetilde{\mathcal O}(1)$ regret, which is (nearly) independent of $d$ and $T$. In this paper, we present the first variance-aware regret guarantee for sparse linear bandits: $\widetilde{\mathcal O}\left(\sqrt{d\sum_{t=1}^T \sigma_t^2} + 1\right)$, where $\sigma_t^2$ is the variance of the noise at the $t$-th round. This bound naturally interpolates the regret bounds for the worst-case constant-variance regime (i.e., $\sigma_t \equiv \Omega(1)$) and the benign deterministic regimes (i.e., $\sigma_t \equiv 0$). To achieve this variance-aware regret guarantee, we develop a general framework that converts any variance-aware linear bandit algorithm to a variance-aware algorithm for sparse linear bandits in a "black-box" manner. Specifically, we take two recent algorithms as black boxes to illustrate that the claimed bounds indeed hold, where the first algorithm can handle unknown-variance cases and the second one is more efficient.

Temporal domain generalization is a promising yet extremely challenging area where the goal is to learn models under temporally changing data distributions and generalize to unseen data distributions following the trends of the change. The advancement of this area is challenged by: 1) characterizing data distribution drift and its impacts on models, 2) expressiveness in tracking the model dynamics, and 3) theoretical guarantee on the performance. To address them, we propose a Temporal Domain Generalization with Drift-Aware Dynamic Neural Network (DRAIN) framework. Specifically, we formulate the problem into a Bayesian framework that jointly models the relation between data and model dynamics. We then build a recurrent graph generation scenario to characterize the dynamic graph-structured neural networks learned across different time points. It captures the temporal drift of model parameters and data distributions and can predict models in the future without the presence of future data. In addition, we explore theoretical guarantees of the model performance under the challenging temporal DG setting and provide theoretical analysis, including uncertainty and generalization error. Finally, extensive experiments on several real-world benchmarks with temporal drift demonstrate the proposed method’s effectiveness and efficiency.

The energy consumption for training deep learning models is increasing at an alarming rate due to the growth of training data and model scale, resulting in a negative impact on carbon neutrality. Energy consumption is an especially pressing issue for AutoML algorithms because it usually requires repeatedly training large numbers of computationally intensive deep models to search for optimal configurations. This paper takes one of the most essential steps in developing energy-aware (EA) NAS methods, by providing a benchmark that makes EA-NAS research more reproducible and accessible. Specifically, we present the first large-scale energy-aware benchmark that allows studying AutoML methods to achieve better trade-offs between performance and search energy consumption, named EA-HAS-Bench. EA-HAS-Bench provides a large-scale architecture/hyperparameter joint search space, covering diversified configurations related to energy consumption. Furthermore, we propose a novel surrogate model specially designed for large joint search space, which proposes a Bezier curve-based model to predict learning curves with unlimited shape and length. Based on the proposed dataset, we new energy-aware AutoML method that arms existing AutoML algorithms to consider the search energy consumption, and our experiments show that the modified energy-aware AutoML methods achieve a better trade-off between energy consumption and model performance.

We present an unsupervised deep learning model for 3D object classification. Conventional Hebbian learning, a well-known unsupervised model, suffers from loss of local features leading to reduced performance for tasks with complex geometric objects. We present a deep network with a novel Neuron Activity Aware (NeAW) Hebbian learning rule that dynamically switches the neurons to be governed by Hebbian learning or anti-Hebbian learning, depending on its activity. We analytically show that NeAW Hebbian learning relieves the bias in neuron activity, allowing more neurons to attend to the representation of the 3D objects. Empirical results show that the NeAW Hebbian learning outperforms other variants of Hebbian learning and shows higher accuracy over fully supervised models when training data is limited.

Sharpness-aware minimization (SAM) and related adversarial deep-learning methods can drastically improve generalization, but their underlying mechanisms are not yet fully understood. Here, we establish SAM as a relaxation of the Bayes objective where the expected negative-loss is replaced by the optimal convex lower bound, obtained by using the so-called Fenchel biconjugate. The connection enables a new Adam-like extension of SAM to automatically obtain reasonable uncertainty estimates, while sometimes also improving its accuracy. By connecting adversarial and Bayesian methods, our work opens a new path to robustness.

In this work, we attempt to bridge the two fields of finite-agent and infinite-agent games, by studying how the optimal policies of agents evolve with the number of agents (population size) in mean-field games, an agent-centric perspective in contrast to the existing works focusing typically on the convergence of the empirical distribution of the population. To this end, the premise is to obtain the optimal policies of a set of finite-agent games with different population sizes. However, either deriving the closed-form solution for each game is theoretically intractable, training a distinct policy for each game is computationally intensive, or directly applying the policy trained in a game to other games is sub-optimal. We address these challenges through the \textbf{P}opulation-size-\textbf{A}ware \textbf{P}olicy \textbf{O}ptimization (PAPO). Our contributions are three-fold. First, to efficiently generate efficient policies for games with different population sizes, we propose PAPO, which unifies two natural options (augmentation and hypernetwork) and achieves significantly better performance. PAPO consists of three components: i) the population-size encoding which transforms the original value of population size to an equivalent encoding to avoid training collapse, ii) a hypernetwork to generate a distinct policy for each game conditioned on the population size, and iii) the population size as an additional input to the generated policy. Next, we construct a multi-task-based training procedure to efficiently train the neural networks of PAPO by sampling data from multiple games with different population sizes. Finally, extensive experiments on multiple environments show the significant superiority of PAPO over baselines, and the analysis of the evolution of the generated policies further deepens our understanding of the two fields of finite-agent and infinite-agent games.

For full-batch gradient descent (GD), it has been empirically shown that the sharpness, the top eigenvalue of the Hessian, increases and then hovers above $2/\text{(learning rate)}$, and this is called ``the edge of stability'' phenomenon. However, it is unclear why the sharpness is somewhat larger than $2/\text{(learning rate)}$ and how this can be extended to general mini-batch stochastic gradient descent (SGD). We propose a new sharpness measure (interaction-aware-sharpness) aware of the \emph{interaction} between the batch gradient distribution and the loss landscape geometry. This leads to a more refined and general characterization of the edge of stability for SGD. Moreover, based on the analysis of a concentration measure of the batch gradient, we propose a more accurate scaling rule, Linear and Saturation Scaling Rule (LSSR), between batch size and learning rate.

Incorporating equivariance to symmetry groups as a constraint during neural network training can improve performance and generalization for tasks exhibiting those symmetries, but such symmetries are often not perfectly nor explicitly present. This motivates algorithmically optimizing the architectural constraints imposed by equivariance. We propose the equivariance relaxation morphism, which preserves functionality while reparameterizing a group equivariant layer to operate with equivariance constraints on a subgroup, as well as the $[G]$-mixed equivariant layer, which mixes layers constrained to different groups to enable within-layer equivariance optimization. We further present evolutionary and differentiable neural architecture search (NAS) algorithms that utilize these mechanisms respectively for equivariance-aware architectural optimization. Experiments across a variety of datasets show the benefit of dynamically constrained equivariance to find effective architectures with approximate equivariance.

Deep neural networks (DNNs) often have to be compressed, via pruning and/or quantization, before they can be deployed in practical settings. In this work we propose a new compression-aware minimizer dubbed CrAM that modifies the optimization step in a principled way, in order to produce models whose local loss behavior is stable under compression operations such as pruning. Thus, dense models trained via CrAM should be compressible post-training, in a single step, without significant accuracy loss. Experimental results on standard benchmarks, such as residual networks for ImageNet classification and BERT models for language modelling, show that CrAM produces dense models that can be more accurate than the standard SGD/Adam-based baselines, but which are stable under weight pruning: specifically, we can prune models in one-shot to 70-80% sparsity with almost no accuracy loss, and to 90% with reasonable (∼ 1%) accuracy loss, which is competitive with gradual compression methods. Additionally, CrAM can produce sparse models which perform well for transfer learning, and it also works for semi-structured 2:4 pruning patterns supported by GPU hardware. The code for reproducing the results is available at: https://github.com/IST-DASLab/CrAM .

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.

Distillation-aware Neural Architecture Search (DaNAS) aims to search for an optimal student architecture that obtains the best performance and/or efficiency when distilling the knowledge from a given teacher model. Previous DaNAS methods have mostly tackled the search for the neural architecture for fixed datasets and the teacher, which are not generalized well on a new task consisting of an unseen dataset and an unseen teacher, thus need to perform a costly search for any new combination of the datasets and the teachers. For standard NAS tasks without KD, meta-learning-based computationally efficient NAS methods have been proposed, which learn the generalized search process over multiple tasks (datasets) and transfer the knowledge obtained over those tasks to a new task. However, since they assume learning from scratch without KD from a teacher, they might not be ideal for DaNAS scenarios. To eliminate the excessive computational cost of DaNAS methods and the sub-optimality of rapid NAS methods, we propose a distillation-aware meta-accuracy prediction model, DaSS (Distillation-aware Student Search), which can predict a given architecture's final performances on a dataset when performing KD with a given teacher, without having actually to train it on the target task. The experimental results demonstrate that our proposed meta-prediction model successfully generalizes to multiple unseen datasets for DaNAS tasks, largely outperforming existing meta-NAS methods and rapid NAS baselines. Code is available at https://github.com/CownowAn/DaSS.

We introduce StyleMorph, a 3D-aware generative model that disentangles 3D shape, camera pose, object appearance, and background appearance for high quality image synthesis. We account for shape variability by morphing a canonical 3D object template, effectively learning a 3D morphable model in an entirely unsupervised manner through backprop. We chain 3D morphable modelling with deferred neural rendering by performing an implicit surface rendering of “Template Object Coordinates” (TOCS), which can be understood as an unsupervised counterpart to UV maps. This provides a detailed 2D TOCS map signal that reflects the compounded geometric effects of non-rigid shape variation, camera pose, and perspective projection. We combine 2D TOCS maps with an independent appearance code to condition a StyleGAN-based deferred neural rendering (DNR) network for foreground image (object) synthesis; we use a separate code for background synthesis and do late fusion to deliver the final result. We show competitive synthesis results on 4 datasets (FFHQ faces, AFHQ Cats, Dogs, Wild), while achieving the joint disentanglement of shape, pose, object and background texture.

This paper proposes a novel batch normalization strategy for test-time adaptation. Recent test-time adaptation methods heavily rely on the modified batch normalization, i.e., transductive batch normalization (TBN), which calculates the mean and the variance from the current test batch rather than using the running mean and variance obtained from the source data, i.e., conventional batch normalization (CBN). Adopting TBN that employs test batch statistics mitigates the performance degradation caused by the domain shift. However, re-estimating normalization statistics using test data depends on impractical assumptions that a test batch should be large enough and be drawn from i.i.d. stream, and we observed that the previous methods with TBN show critical performance drop without the assumptions. In this paper, we identify that CBN and TBN are in a trade-off relationship and present a new test-time normalization (TTN) method that interpolates the statistics by adjusting the importance between CBN and TBN according to the domain-shift sensitivity of each BN layer. Our proposed TTN improves model robustness to shifted domains across a wide range of batch sizes and in various realistic evaluation scenarios. TTN is widely applicable to other test-time adaptation methods that rely on updating model parameters via backpropagation. We demonstrate that adopting TTN further improves their performance and achieves state-of-the-art performance in various standard benchmarks.

As graph data size increases, the vast latency and memory consumption during inference pose a significant challenge to the real-world deployment of Graph Neural Networks (GNNs). While quantization is a powerful approach to reducing GNNs complexity, most previous works on GNNs quantization fail to exploit the unique characteristics of GNNs, suffering from severe accuracy degradation. Through an in-depth analysis of the topology of GNNs, we observe that the topology of the graph leads to significant differences between nodes, and most of the nodes in a graph appear to have a small aggregation value. Motivated by this, in this paper, we propose the Aggregation-Aware mixed-precision Quantization ($\rm A^2Q$) for GNNs, where an appropriate bitwidth is automatically learned and assigned to each node in the graph. To mitigate the vanishing gradient problem caused by sparse connections between nodes, we propose a Local Gradient method to serve the quantization error of the node features as the supervision during training. We also develop a Nearest Neighbor Strategy to deal with the generalization on unseen graphs. Extensive experiments on eight public node-level and graph-level datasets demonstrate the generality and robustness of our proposed method. Compared to the FP32 models, our method can achieve up to $18.8\times$ (i.e., 1.70bits) compression ratio with negligible accuracy degradation. Moreover, compared to the state-of-the-art quantization method, our method can achieve up to $11.4\%$ and $9.5\%$ accuracy improvements on the node-level and graph-level tasks, respectively, and up to $2\times$ speedup on a dedicated hardware accelerator.

Sharpness-aware minimization (SAM), which searches for flat minima by min-max optimization, has been shown to be useful in improving model generalization. However, since each SAM update requires computing two gradients, its computational cost and training time are both doubled compared to standard empirical risk minimization (ERM). Recent state-of-the-arts reduce the fraction of SAM updates and thus accelerate SAM by switching between SAM and ERM updates randomly or periodically. In this paper, we design an adaptive policy to employ SAM based on the loss landscape geometry. Two efficient algorithms, AE-SAM and AE-LookSAM, are proposed. We theoretically show that AE-SAM has the same convergence rate as SAM. Experimental results on various datasets and architectures demonstrate the efficiency and effectiveness of the adaptive policy.

Cross-silo Federated learning (FL) has become a promising tool in machine learning applications for healthcare. It allows hospitals/institutions to train models with sufficient data while the data is kept private. To make sure the FL model is robust when facing heterogeneous data among FL clients, most efforts focus on personalizing models for clients. However, the latent relationships between clients' data are ignored. In this work, we focus on a special non-iid FL problem, called Domain-mixed FL, where each client's data distribution is assumed to be a mixture of several predefined domains. Recognizing the diversity of domains and the similarity within domains, we propose a novel method, FedDAR, which learns a domain shared representation and domain-wise personalized prediction heads in a decoupled manner. For simplified linear regression settings, we have theoretically proved that FedDAR enjoys a linear convergence rate. For general settings, we have performed intensive empirical studies on both synthetic and real-world medical datasets which demonstrate its superiority over prior FL methods. Our code is available at https://github.com/zlz0414/FedDAR.

Sharpness-Aware Minimization (SAM) is a highly effective regularization technique for improving the generalization of deep neural networks for various settings. However, the underlying working of SAM remains elusive because of various intriguing approximations in the theoretical characterizations. SAM intends to penalize a notion of sharpness of the model but implements a computationally efficient variant; moreover, a third notion of sharpness was used for proving generalization guarantees. The subtle differences in these notions of sharpness can indeed lead to significantly different empirical results. This paper rigorously nails down the exact sharpness notion that SAM regularizes and clarifies the underlying mechanism. We also show that the two steps of approximations in the original motivation of SAM individually lead to inaccurate local conclusions, but their combination accidentally reveals the correct effect, when full-batch gradients are applied. Furthermore, we also prove that the stochastic version of SAM in fact regularizes the third notion of sharpness mentioned above, which is most likely to be the preferred notion for practical performance. The key mechanism behind this intriguing phenomenon is the alignment between the gradient and the top eigenvector of Hessian when SAM is applied.

Explanation is a key component for the adoption of reinforcement learning (RL) in many real-world decision-making problems. In the literature, the explanation is often provided by saliency attribution to the features of the RL agent's state. In this work, we propose a complementary approach to these explanations, particularly for offline RL, where we attribute the policy decisions of a trained RL agent to the trajectories encountered by it during training. To do so, we encode trajectories in offline training data individually as well as collectively (encoding a set of trajectories). We then attribute policy decisions to a set of trajectories in this encoded space by estimating the sensitivity of the decision with respect to that set. Further, we demonstrate the effectiveness of the proposed approach in terms of quality of attributions as well as practical scalability in diverse environments that involve both discrete and continuous state and action spaces such as grid-worlds, video games (Atari) and continuous control (MuJoCo). We also conduct a human study on a simple navigation task to observe how their understanding of the task compares with data attributed for a trained RL policy.