ICML 2022 Papers

We study methods for estimating model uncertainty for neural networks (NNs) in regression. To isolate the effect of model uncertainty, we focus on a noiseless setting with scarce training data. We introduce five important desiderata regarding model uncertainty that any method should satisfy. However, we find that established benchmarks often fail to reliably capture some of these desiderata, even those that are required by Bayesian theory. To address this, we introduce a new approach for capturing model uncertainty for NNs, which we call Neural Optimization-based Model Uncertainty (NOMU). The main idea of NOMU is to design a network architecture consisting of two connected sub-NNs, one for model prediction and one for model uncertainty, and to train it using a carefully-designed loss function. Importantly, our design enforces that NOMU satisfies our five desiderata. Due to its modular architecture, NOMU can provide model uncertainty for any given (previously trained) NN if given access to its training data. We evaluate NOMU in various regressions tasks and noiseless Bayesian optimization (BO) with costly evaluations. In regression, NOMU performs at least as well as state-of-the-art methods. In BO, NOMU even outperforms all considered benchmarks.

Pretrained language models have become the standard approach for many NLP tasks due to strong performance, but they are very expensive to train. We propose a simple and efficient learning framework, TLM, that does not rely on large-scale pretraining. Given some labeled task data and a large general corpus, TLM uses task data as queries to retrieve a tiny subset of the general corpus and jointly optimizes the task objective and the language modeling objective from scratch. On eight classification datasets in four domains, TLM achieves results better than or similar to pretrained language models (e.g., RoBERTa-Large) while reducing the training FLOPs by two orders of magnitude. With high accuracy and efficiency, we hope TLM will contribute to democratizing NLP and expediting its development.

The goal of continual learning (CL) is to learn different tasks over time. The main desiderata associated with CL are to maintain performance on older tasks, leverage the latter to improve learning of future tasks, and to introduce minimal overhead in the training process (for instance, to not require a growing model or retraining). We propose the Neuro-Inspired Stability-Plasticity Adaptation (NISPA) architecture that addresses these desiderata through a sparse neural network with fixed density. NISPA forms stable paths to preserve learned knowledge from older tasks. Also, NISPA uses connection rewiring to create new plastic paths that reuse existing knowledge on novel tasks. Our extensive evaluation on EMNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets shows that NISPA significantly outperforms representative state-of-the-art continual learning baselines, and it uses up to ten times fewer learnable parameters compared to baselines. We also make the case that sparsity is an essential ingredient for continual learning. The NISPA code is available at https://github.com/BurakGurbuz97/NISPA.

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can learn higher-order structural information by stacking more layers but can not deal with large depth due to the over-smoothing issue. Second, it is not easy to apply these methods on large graphs due to the expensive computation cost and high memory usage. In this paper, we present node-adaptive feature smoothing (NAFS), a simple non-parametric method that constructs node representations without parameter learning. NAFS first extracts the features of each node with its neighbors of different hops by feature smoothing, and then adaptively combines the smoothed features. Besides, the constructed node representation can further be enhanced by the ensemble of smoothed features extracted via different smoothing strategies. We conduct experiments on four benchmark datasets on two different application scenarios: node clustering and link prediction. Remarkably, NAFS with feature ensemble outperforms the state-of-the-art GNNs on these tasks and mitigates the aforementioned two limitations of most learning-based GNN counterparts.

We present a robust learning algorithm to detect and handle collisions in 3D deforming meshes. We first train a neural network to detect collisions and then use a numerical optimization algorithm to resolve penetrations guided by the network. Our learned collision handler can resolve collisions for unseen, high-dimensional meshes with thousands of vertices. To obtain stable network performance in such large and unseen spaces, we apply active learning by progressively inserting new collision data based on the network inferences. We automatically label these new data using an analytical collision detector and progressively fine-tune our detection networks. We evaluate our method for collision handling of complex, 3D meshes coming from several datasets with different shapes and topologies, including datasets corresponding to dressed and undressed human poses, cloth simulations, and human hand poses acquired using multi-view capture systems.

We propose multirate training of neural networks: partitioning neural network parameters into "fast" and "slow" parts which are trained on different time scales, where slow parts are updated less frequently. By choosing appropriate partitionings we can obtain substantial computational speed-up for transfer learning tasks. We show for applications in vision and NLP that we can fine-tune deep neural networks in almost half the time, without reducing the generalization performance of the resulting models. We analyze the convergence properties of our multirate scheme and draw a comparison with vanilla SGD. We also discuss splitting choices for the neural network parameters which could enhance generalization performance when neural networks are trained from scratch. A multirate approach can be used to learn different features present in the data and as a form of regularization. Our paper unlocks the potential of using multirate techniques for neural network training and provides several starting points for future work in this area.

We generalize the multiple-play multi-armed bandits (MP-MAB) problem with a shareable arms setting, in which several plays can share the same arm. Furthermore, each shareable arm has a finite reward capacity and a “per-load” reward distribution, both of which are unknown to the learner. The reward from a shareable arm is load-dependent, which is the “per-load” reward multiplying either the number of plays pulling the arm, or its reward capacity when the number of plays exceeds the capacity limit. When the “per-load” reward follows a Gaussian distribution, we prove a sample complexity lower bound of learning the capacity from load-dependent rewards and also a regret lower bound of this new MP-MAB problem. We devise a capacity estimator whose sample complexity upper bound matches the lower bound in terms of reward means and capacities. We also propose an online learning algorithm to address the problem and prove its regret upper bound. This regret upper bound’s first term is the same as regret lower bound’s, and its second and third terms also evidently correspond to lower bound’s. Extensive experiments validate our algorithm’s performance and also its gain in 5G & 4G base station selection.

Hidden Networks (Ramanujan et al., 2020) showed the possibility of finding accurate subnetworks within a randomly weighted neural network by training a connectivity mask, referred to as supermask. We show that the supermask stops improving even though gradients are not zero, thus underutilizing backpropagated information. To address this we propose a method that extends Hidden Networks by training an overlay of multiple hierarchical supermasks{—}a multicoated supermask. This method shows that using multiple supermasks for a single task achieves higher accuracy without additional training cost. Experiments on CIFAR-10 and ImageNet show that Multicoated Supermasks enhance the tradeoff between accuracy and model size. A ResNet-101 using a 7-coated supermask outperforms its Hidden Networks counterpart by 4%, matching the accuracy of a dense ResNet-50 while being an order of magnitude smaller.

We study the behavior of error bounds for multiclass classification under suitable margin conditions. For a wide variety of methods we prove that the classification error under a hard-margin condition decreases exponentially fast without any bias-variance trade-off. Different convergence rates can be obtained in correspondence of different margin assumptions. With a self-contained and instructive analysis we are able to generalize known results from the binary to the multiclass setting.

Online matching with diversity and fairness pursuit, a common building block in the recommendation and advertising, can be modeled as constrained convex programming with high entropy. While most existing approaches are based on the “single slot” assumption (i.e., assigning one item per iteration), they cannot be directly applied to cases with multiple slots, e.g., stock-aware top-N recommendation and advertising at multiple places. Particularly, the gradient computation and resource allocation are both challenging under this setting due to the absence of a closed-form solution. To overcome these obstacles, we develop a novel algorithm named Online subGradient descent for Multi-slots Allocation (OG-MA). It uses an efficient pooling algorithm to compute closed-form of the gradient then performs a roulette swapping for allocation, yielding a sub-linear regret with linear cost per iteration. Extensive experiments on synthetic and industrial data sets demonstrate that OG-MA is a fast and promising method for multi-slots online matching.

An intriguing phenomenon that arises from the high-dimensional learning dynamics of neural networks is the phenomenon of “double descent”. The more commonly studied aspect of this phenomenon corresponds to

In Multi-task learning (MTL), a joint model is trained to simultaneously make predictions for several tasks. Joint training reduces computation costs and improves data efficiency; however, since the gradients of these different tasks may conflict, training a joint model for MTL often yields lower performance than its corresponding single-task counterparts. A common method for alleviating this issue is to combine per-task gradients into a joint update direction using a particular heuristic. In this paper, we propose viewing the gradients combination step as a bargaining game, where tasks negotiate to reach an agreement on a joint direction of parameter update. Under certain assumptions, the bargaining problem has a unique solution, known as the

A critical challenge of federated learning is data heterogeneity and imbalance across clients, which leads to inconsistency between local networks and unstable convergence of global models. To alleviate the limitations, we propose a novel architectural regularization technique that constructs multiple auxiliary branches in each local model by grafting local and global subnetworks at several different levels and that learns the representations of the main pathway in the local model congruent to the auxiliary hybrid pathways via online knowledge distillation. The proposed technique is effective to robustify the global model even in the non-iid setting and is applicable to various federated learning frameworks conveniently without incurring extra communication costs. We perform comprehensive empirical studies and demonstrate remarkable performance gains in terms of accuracy and efficiency compared to existing methods. The source code is available at our project page.

Most existing methods in vision language pre-training rely on object-centric features extracted through object detection and make fine-grained alignments between the extracted features and texts. It is challenging for these methods to learn relations among multiple objects. To this end, we propose a new method called X-VLM to perform ‘multi-grained vision language pre-training.’ The key to learning multi-grained alignments is to locate visual concepts in the image given the associated texts, and in the meantime align the texts with the visual concepts, where the alignments are in multi-granularity. Experimental results show that X-VLM effectively leverages the learned multi-grained alignments to many downstream vision language tasks and consistently outperforms state-of-the-art methods.

Transformers have emerged as a preferred model for many tasks in natural langugage processing and vision. Recent efforts on training and deploying Transformers more efficiently have identified many strategies to approximate the self-attention matrix, a key module in a Transformer architecture. Effective ideas include various prespecified sparsity patterns, low-rank basis expansions and combinations thereof. In this paper, we revisit classical Multiresolution Analysis (MRA) concepts such as Wavelets, whose potential value in this setting remains underexplored thus far. We show that simple approximations based on empirical feedback and design choices informed by modern hardware and implementation challenges, eventually yield a MRA-based approach for self-attention with an excellent performance profile across most criteria of interest. We undertake an extensive set of experiments and demonstrate that this multi-resolution scheme outperforms most efficient self-attention proposals and is favorable for both short and long sequences. Code is available at \url{https://github.com/mlpen/mra-attention}.

Of theories for why large-scale machine learning models generalize despite being vastly overparameterized, which of their assumptions are needed to capture the qualitative phenomena of generalization in the real world? On one hand, we find that most theoretical analyses fall short of capturing these qualitative phenomena even for kernel regression, when applied to kernels derived from large-scale neural networks (e.g., ResNet-50) and real data (e.g., CIFAR-100). On the other hand, we find that the classical GCV estimator (Craven and Wahba, 1978) accurately predicts generalization risk even in such overparameterized settings. To bolster this empirical finding, we prove that the GCV estimator converges to the generalization risk whenever a local random matrix law holds. Finally, we apply this random matrix theory lens to explain why pretrained representations generalize better as well as what factors govern scaling laws for kernel regression. Our findings suggest that random matrix theory, rather than just being a toy model, may be central to understanding the properties of neural representations in practice.

Recent papers have developed alternating least squares (ALS) methods for CP and tensor ring decomposition with a per-iteration cost which is sublinear in the number of input tensor entries for low-rank decomposition. However, the per-iteration cost of these methods still has an exponential dependence on the number of tensor modes when parameters are chosen to achieve certain worst-case guarantees. In this paper, we propose sampling-based ALS methods for the CP and tensor ring decompositions whose cost does not have this exponential dependence, thereby significantly improving on the previous state-of-the-art. We provide a detailed theoretical analysis and also apply the methods in a feature extraction experiment.

Large neural networks excel in many domains, but they are expensive to train and fine-tune. A popular approach to reduce their compute or memory requirements is to replace dense weight matrices with structured ones (e.g., sparse, low-rank, Fourier transform). These methods have not seen widespread adoption (1) in end-to-end training due to unfavorable efficiency–quality tradeoffs, and (2) in dense-to-sparse fine-tuning due to lack of tractable algorithms to approximate a given dense weight matrix. To address these issues, we propose a class of matrices (Monarch) that is hardware-efficient (they are parameterized as products of two block-diagonal matrices for better hardware utilization) and expressive (they can represent many commonly used transforms). Surprisingly, the problem of approximating a dense weight matrix with a Monarch matrix, though nonconvex, has an analytical optimal solution. These properties of Monarch matrices unlock new ways to train and fine-tune sparse and dense models. We empirically validate that Monarch can achieve favorable accuracy-efficiency tradeoffs in several end-to-end sparse training applications: speeding up ViT and GPT-2 training on ImageNet classification and Wikitext-103 language modeling by 2x with comparable model quality, and reducing the error on PDE solving and MRI reconstruction tasks by 40%. In sparse-to-dense training, with a simple technique called "reverse sparsification," Monarch matrices serve as a useful intermediate representation to speed up GPT-2 pretraining on OpenWebText by 2x without quality drop. The same technique brings 23% faster BERT pretraining than even the very optimized implementation from Nvidia that set the MLPerf 1.1 record. In dense-to-sparse fine-tuning, as a proof-of-concept, our Monarch approximation algorithm speeds up BERT fine-tuning on GLUE by 1.7x with comparable accuracy.

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs individually while neglecting their connections, such as motif-level relationships. We propose a novel molecular graph representation learning method by constructing a heterogeneous motif graph to address this issue. In particular, we build a heterogeneous motif graph that contains motif nodes and molecular nodes. Each motif node corresponds to a motif extracted from molecules. Then, we propose a Heterogeneous Motif Graph Neural Network (HM-GNN) to learn feature representations for each node in the heterogeneous motif graph. Our heterogeneous motif graph also enables effective multi-task learning, especially for small molecular datasets. To address the potential efficiency issue, we propose to use an edge sampler, which can significantly reduce computational resources usage. The experimental results show that our model consistently outperforms previous state-of-the-art models. Under multi-task settings, the promising performances of our methods on combined datasets shed light on a new learning paradigm for small molecular datasets. Finally, we show that our model achieves similar performances with significantly less computational resources by using our edge sampler.