ICLR 2023 论文列表

Optimal transport has emerged as a powerful tool for a variety of problems in machine learning, and it is frequently used to enforce distributional constraints. In this context, existing methods often use either a Wasserstein metric, or else they apply concurrent barycenter approaches when more than two distributions are considered. In this paper, we leverage multi-marginal optimal transport (MMOT), where we take advantage of a procedure that computes a generalized earth mover's distance as a sub-routine. We show that not only is our algorithm computationally more efficient compared to other barycentric-based distance methods, but it has the additional advantage that gradients used for backpropagation can be efficiently computed during the forward pass computation itself, which leads to substantially faster model training. We provide technical details about this new regularization term and its properties, and we present experimental demonstrations of faster runtimes when compared to standard Wasserstein-style methods. Finally, on a range of experiments designed to assess effectiveness at enforcing fairness, we demonstrate our method compares well with alternatives.

We consider a generic min-max multi-objective bilevel optimization problem with applications in robust machine learning such as representation learning and hyperparameter optimization. We design MORBiT, a novel single-loop gradient descent-ascent bilevel optimization algorithm, to solve the generic problem and present a novel analysis showing that MORBiT converges to the first-order stationary point at a rate of $\widetilde{\mathcal{O}}(n^{1/2} K^{-2/5})$ for a class of weakly convex problems with $n$ objectives upon $K$ iterations of the algorithm. Our analysis utilizes novel results to handle the non-smooth min-max multi-objective setup and to obtain a sublinear dependence in the number of objectives $n$. Experimental results on robust representation learning and robust hyperparameter optimization showcase (i) the advantages of considering the min-max multi-objective setup, and (ii) convergence properties of the proposed \morbit.

Several recent works on self-supervised learning are trained by mapping different augmentations of the same image to the same feature representation. The data augmentations used are of crucial importance to the quality of learned feature representations. In this paper, we analyze how the color jitter traditionally used in data augmentation negatively impacts the quality of the color features in learned feature representations. To address this problem, we propose a more realistic, physics-based color data augmentation - which we call Planckian Jitter - that creates realistic variations in chromaticity and produces a model robust to illumination changes that can be commonly observed in real life, while maintaining the ability to discriminate image content based on color information. Experiments confirm that such a representation is complementary to the representations learned with the currently-used color jitter augmentation and that a simple concatenation leads to significant performance gains on a wide range of downstream datasets. In addition, we present a color sensitivity analysis that documents the impact of different training methods on model neurons and shows that the performance of the learned features is robust with respect to illuminant variations. Official code available at: https://github.com/TheZino/PlanckianJitter

Spiking Neural Networks (SNNs) have attracted great attention due to their distinctive characteristics of low power consumption and temporal information processing. ANN-SNN conversion, as the most commonly used training method for applying SNNs, can ensure that converted SNNs achieve comparable performance to ANNs on large-scale datasets. However, the performance degrades severely under low quantities of time-steps, which hampers the practical applications of SNNs to neuromorphic chips. In this paper, instead of evaluating different conversion errors and then eliminating these errors, we define an offset spike to measure the degree of deviation between actual and desired SNN firing rates. We perform a detailed analysis of offset spike and note that the firing of one additional (or one less) spike is the main cause of conversion errors. Based on this, we propose an optimization strategy based on shifting the initial membrane potential and we theoretically prove the corresponding optimal shifting distance for calibrating the spike. In addition, we also note that our method has a unique iterative property that enables further reduction of conversion errors. The experimental results show that our proposed method achieves state-of-the-art performance on CIFAR-10, CIFAR-100, and ImageNet datasets. For example, we reach a top-1 accuracy of 67.12% on ImageNet when using 6 time-steps. To the best of our knowledge, this is the first time an ANN-SNN conversion has been shown to simultaneously achieve high accuracy and ultralow latency on complex datasets. Code is available at https://github.com/hzc1208/ANN2SNN_COS.

Symbolic Regression (SR) is the well-studied problem of finding closed-form analytical expressions that describe the relationship between variables in a measurement dataset. In this paper, we rethink SR from two perspectives: morphology and adaptability. Morphology: Current SR algorithms typically use several man-made heuristics to influence the morphology (or structure) of the expressions in the search space. These man-made heuristics may introduce unintentional bias and data leakage, especially with the relatively few equation-recovery benchmark problems available for evaluating SR approaches. To address this, we formulate a novel minimalistic approach, based on constructing a depth-aware mathematical language model trained on terminal walks of expression trees, as a replacement to these heuristics. Adaptability: Current SR algorithms tend to select expressions based on only a single fitness function (e.g., MSE on the training set). We promote the use of an adaptability framework in evolutionary SR which uses fitness functions that alternate across generations. This leads to robust expressions that perform well on the training set and are close to the true functional form. We demonstrate this by alternating fitness functions that quantify faithfulness to values (via MSE) and empirical derivatives (via a novel theoretically justified fitness metric coined MSEDI). Proof-of-concept: We combine these ideas into a minimalistic evolutionary SR algorithm that outperforms all benchmark and state of-the-art SR algorithms in problems with unknown constants added, which we claim are more reflective of SR performance for real-world applications. Our claim is then strengthened by reproducing the superior performance on real-world regression datasets from SRBench. For researchers interested in equation-recovery problems, we also propose a set of conventions that can be used to promote fairness in comparison across SR methods and to reduce unintentional bias.

Fast and accurate predictions for complex physical dynamics are a big challenge across various applications. Real-time prediction on resource-constrained hardware is even more crucial in the real-world problems. The deep operator network (DeepONet) has recently been proposed as a framework for learning nonlinear mappings between function spaces. However, the DeepONet requires many parameters and has a high computational cost when learning operators, particularly those with complex (discontinuous or non-smooth) target functions. In this study, we propose HyperDeepONet, which uses the expressive power of the hypernetwork to enable learning of a complex operator with smaller set of parameters. The DeepONet and its variant models can be thought of as a method of injecting the input function information into the target function. From this perspective, these models can be viewed as a special case of HyperDeepONet. We analyze the complexity of DeepONet and conclude that HyperDeepONet needs relatively lower complexity to obtain the desired accuracy for operator learning. HyperDeepONet was successfully applied to various operator learning problems using low computational resources compared to other benchmarks.

Deep learning has revolutionized human society, yet the black-box nature of deep neural networks hinders further application to reliability-demanded industries. In the attempt to unpack them, many works observe or impact internal variables to improve the comprehensibility and invertibility of the black-box models. However, existing methods rely on intuitive assumptions and lack mathematical guarantees. To bridge this gap, we introduce Bort, an optimizer for improving model explainability with boundedness and orthogonality constraints on model parameters, derived from the sufficient conditions of model comprehensibility and invertibility. We perform reconstruction and backtracking on the model representations optimized by Bort and observe a clear improvement in model explainability. Based on Bort, we are able to synthesize explainable adversarial samples without additional parameters and training. Surprisingly, we find Bort constantly improves the classification accuracy of various architectures including ResNet and DeiT on MNIST, CIFAR-10, and ImageNet. Code: https://github.com/zbr17/Bort.

An oft-cited challenge of federated learning is the presence of heterogeneity. \emph{Data heterogeneity} refers to the fact that data from different clients may follow very different distributions. \emph{System heterogeneity} refers to client devices having different system capabilities. A considerable number of federated optimization methods address this challenge. In the literature, empirical evaluations usually start federated training from random initialization. However, in many practical applications of federated learning, the server has access to proxy data for the training task that can be used to pre-train a model before starting federated training. Using four standard federated learning benchmark datasets, we empirically study the impact of starting from a pre-trained model in federated learning. Unsurprisingly, starting from a pre-trained model reduces the training time required to reach a target error rate and enables the training of more accurate models (up to 40\%) than is possible when starting from random initialization. Surprisingly, we also find that starting federated learning from a pre-trained initialization reduces the effect of both data and system heterogeneity. We recommend future work proposing and evaluating federated optimization methods to evaluate the performance when starting from random and pre-trained initializations. This study raises several questions for further work on understanding the role of heterogeneity in federated optimization.

Many recent breakthroughs of deep reinforcement learning (RL) are mainly built upon large-scale distributed training of model-free methods using millions to billions of samples. On the other hand, state-of-the-art model-based RL methods can achieve human-level sample efficiency but often take a much longer over all training time than model-free methods. However, high sample efficiency and fast training time are both important to many real-world applications. We develop SpeedyZero, a distributed RL system built upon a state-of-the-art model-based RL method, EfficientZero, with a dedicated system design for fast distributed computation. We also develop two novel algorithmic techniques, Priority Refresh and Clipped LARS, to stabilize training with massive parallelization and large batch size. SpeedyZero maintains on-par sample efficiency compared with EfficientZero while achieving a 14.5X speedup in wall-clock time, leading to human-level performances on the Atari benchmark within 35 minutes using only 300k samples. In addition, we also present an in-depth analysis on the fundamental challenges in further scaling our system to bring insights to the community.

In this work, we aim to learn dexterous manipulation of deformable objects using multi-fingered hands. Reinforcement learning approaches for dexterous rigid object manipulation would struggle in this setting due to the complexity of physics interaction with deformable objects. At the same time, previous trajectory optimization approaches with differentiable physics for deformable manipulation would suffer from local optima caused by the explosion of contact modes from hand-object interactions. To address these challenges, we propose DexDeform, a principled framework that abstracts dexterous manipulation skills from human demonstration, and refines the learned skills with differentiable physics. Concretely, we first collect a small set of human demonstrations using teleoperation. And we then train a skill model using demonstrations for planning over action abstractions in imagination. To explore the goal space, we further apply augmentations to the existing deformable shapes in demonstrations and use a gradient optimizer to refine the actions planned by the skill model. Finally, we adopt the refined trajectories as new demonstrations for finetuning the skill model. To evaluate the effectiveness of our approach, we introduce a suite of six challenging dexterous deformable object manipulation tasks. Compared with baselines, DexDeform is able to better explore and generalize across novel goals unseen in the initial human demonstrations. Additional materials can be found at our project website: https://sites.google.com/view/dexdeform.

When deployed for risk-sensitive tasks, deep neural networks must be able to detect instances with labels from outside the distribution for which they were trained. In this paper we present a novel framework to benchmark the ability of image classifiers to detect class-out-of-distribution instances (i.e., instances whose true labels do not appear in the training distribution) at various levels of detection difficulty. We apply this technique to ImageNet, and benchmark 525 pretrained, publicly available, ImageNet-1k classifiers. The code for generating a benchmark for any ImageNet-1k classifier, along with the benchmarks prepared for the above-mentioned 525 models is available at https://github.com/mdabbah/COOD_benchmarking. The usefulness of the proposed framework and its advantage over alternative existing benchmarks is demonstrated by analyzing the results obtained for these models, which reveals numerous novel observations including: (1) knowledge distillation consistently improves class-out-of-distribution (C-OOD) detection performance; (2) a subset of ViTs performs better C-OOD detection than any other model; (3) the language–-vision CLIP model achieves good zero-shot detection performance, with its best instance outperforming 96% of all other models evaluated; (4) accuracy and in-distribution ranking are positively correlated to C-OOD detection; and (5) we compare various confidence functions for C-OOD detection. Our companion paper, also published in ICLR 2023 (What Can We Learn From The Selective Prediction And Uncertainty Estimation Performance Of 523 Imagenet Classifiers), examines the uncertainty estimation performance (ranking, calibration, and selective prediction performance) of these classifiers in an in-distribution setting.

Due to their superior results, Transformer-based models such as BERT have become de facto standards in many Natural Language Processing (NLP) applications. However, the intensive use of complex non-linear functions within the Transformer architecture impairs its computing efficiency and complicates corresponding accelerator designs, because non-linear functions are generally computation-intensive and require special hardware support. In light of this, we propose MA-BERT, which allows matrix arithmetic-only operations in Transformer-based NLP models and achieves efficient inference with negligible accuracy loss. Specifically, we propose four correlated techniques that include approximating softmax with a two-layer neural network, replacing GELU with ReLU, fusing normalization layers with adjacent linear layers, and leveraging knowledge transfer from baseline models. Through these techniques, we are able to eliminate the major non-linear functions in Transformer-based models and obtain MA-BERT with only matrix arithmetic and trivial ReLU operations without compromising on accuracy. With mainly regular matrix arithmetic operations, MA-BERT enables hardware-friendly processing on various computing engines, including CPUs and GPUs. Our experimental results show that MA-BERT achieves up to 27% and 41% reduction in inference time on CPU and GPU, respectively, with comparable accuracy on many downstream tasks compared to the baseline BERT models.

A Transformer-based deep direct sampling method is proposed for electrical impedance tomography, a well-known severely ill-posed nonlinear boundary value inverse problem. A real-time reconstruction is achieved by evaluating the learned inverse operator between carefully designed data and the reconstructed images. An effort is made to give a specific example to a fundamental question: whether and how one can benefit from the theoretical structure of a mathematical problem to develop task-oriented and structure-conforming deep neural networks? Specifically, inspired by direct sampling methods for inverse problems, the 1D boundary data in different frequencies are preprocessed by a partial differential equation-based feature map to yield 2D harmonic extensions as different input channels. Then, by introducing learnable non-local kernels, the direct sampling is recast to a modified attention mechanism. The new method achieves superior accuracy over its predecessors and contemporary operator learners and shows robustness to noises in benchmarks. This research shall strengthen the insights that, despite being invented for natural language processing tasks, the attention mechanism offers great flexibility to be modified in conformity with the a priori mathematical knowledge, which ultimately leads to the design of more physics-compatible neural architectures.

As machine learning (ML) models are increasingly being deployed in high-stakes applications, policymakers have suggested tighter data protection regulations (e.g., GDPR, CCPA). One key principle is the “right to be forgotten” which gives users the right to have their data deleted. Another key principle is the right to an actionable explanation, also known as algorithmic recourse, allowing users to reverse unfavorable decisions. To date, it is unknown whether these two principles can be operationalized simultaneously. Therefore, we introduce and study the problem of recourse invalidation in the context of data deletion requests. More specifically, we theoretically and empirically analyze the behavior of popular state-of-the-art algorithms and demonstrate that the recourses generated by these algorithms are likely to be invalidated if a small number of data deletion requests (e.g., 1 or 2) warrant updates of the predictive model. For the setting of differentiable models, we suggest a framework to identify a minimal subset of critical training points which, when removed, maximize the fraction of invalidated recourses.Using our framework, we empirically show that the removal of as little as 2 data instances from the training set can invalidate up to 95 percent of all recourses output by popular state-of-the-art algorithms. Thus, our work raises fundamental questions about the compatibility of ``the right to an actionable explanation'' in the context of the ``right to be forgotten'', while also providing constructive insights on the determining factors of recourse robustness.

The long runtime of high-fidelity partial differential equation (PDE) solvers makes them unsuitable for time-critical applications. We propose to accelerate PDE solvers using reduced-order modeling (ROM). Whereas prior ROM approaches reduce the dimensionality of discretized vector fields, our continuous reduced-order modeling (CROM) approach builds a low-dimensional embedding of the continuous vector fields themselves, not their discretization. We represent this reduced manifold using continuously differentiable neural fields, which may train on any and all available numerical solutions of the continuous system, even when they are obtained using diverse methods or discretizations. We validate our approach on an extensive range of PDEs with training data from voxel grids, meshes, and point clouds. Compared to prior discretization-dependent ROM methods, such as linear subspace proper orthogonal decomposition (POD) and nonlinear manifold neural-network-based autoencoders, CROM features higher accuracy, lower memory consumption, dynamically adaptive resolutions, and applicability to any discretization. For equal latent space dimension, CROM exhibits 79$\times$ and 49$\times$ better accuracy, and 39$\times$ and 132$\times$ smaller memory footprint, than POD and autoencoder methods, respectively. Experiments demonstrate 109$\times$ and 89$\times$ wall-clock speedups over unreduced models on CPUs and GPUs, respectively. Videos and codes are available on the project page: https://crom-pde.github.io

The optimal transportation map finds the most economical way to transport one probability measure to another, and it has been applied in a broad range of applications in machine learning and computer vision. By the Brenier theory, computing the optimal transport map is equivalent to solving a Monge-Amp\`ere equation, which is highly non-linear. Therefore, the computation of optimal transportation maps is intrinsically challenging. In this work, we propose a novel and powerful method, the FFT-OT (fast Fourier transform-optimal transport), to compute the 3-dimensional OT problems. The method is based on several key ideas: first, the Monge-Amp\`ere equation is linearized to a sequence of linear elliptic PDEs with spacial and temporal variant coefficients; second, the obliqueness property of optimal transportation maps is reformulated as a Neumann boundary condition; and third, the variant coefficient elliptic PDEs are approximated by constant coefficient elliptic PDEs and solved by FFT on GPUs. We also prove that the algorithm converges linearly, namely the approximation error decreases exponentially fast. Experimental results show that the FFT-OT algorithm is more than a hundred times faster than the conventional methods based on the convex geometry. Furthermore, the method can be directly applied for sampling from complex 3D density functions in machine learning and magnifying the volumetric data in medical imaging.

Disentangled learning representations have promising utility in many applications, but they currently suffer from serious reliability issues. We present Gaussian Channel Autoencoder (GCAE), a method which achieves reliable disentanglement via scalable non-parametric density estimation of the latent space. GCAE avoids the curse of dimensionality of density estimation by disentangling subsets of its latent space with the Dual Total Correlation (DTC) metric, thereby representing its high-dimensional latent joint distribution as a collection of many low-dimensional conditional distributions. In our experiments, GCAE achieves highly competitive and reliable disentanglement scores compared with state-of-the-art baselines.

Humans manipulate various kinds of fluids in their everyday life: creating latte art, scooping floating objects from water, rolling an ice cream cone, etc. Using robots to augment or replace human labors in these daily settings remain as a challenging task due to the multifaceted complexities of fluids. Previous research in robotic fluid manipulation mostly consider fluids governed by an ideal, Newtonian model in simple task settings (e.g., pouring water into a container). However, the vast majority of real-world fluid systems manifest their complexities in terms of the fluid’s complex material behaviors (e.g., elastoplastic deformation) and multi-component interactions (e.g. coffee and frothed milk when making latte art), both of which were well beyond the scope of the current literature. To evaluate robot learning algorithms on understanding and interacting with such complex fluid systems, a comprehensive virtual platform with versatile simulation capabilities and well-established tasks is needed. In this work, we introduce FluidLab, a simulation environment with a diverse set of manipulation tasks involving complex fluid dynamics. These tasks address interactions between solid and fluid as well as among multiple fluids. At the heart of our platform is a fully differentiable physics simulator, FluidEngine, providing GPU-accelerated simulations and gradient calculations for various material types and their couplings, extending the scope of the existing differentiable simulation engines. We identify several challenges for fluid manipulation learning by evaluating a set of reinforcement learning and trajectory optimization methods on our platform. To address these challenges, we propose several domain-specific optimization schemes coupled with differentiable physics, which are empirically shown to be effective in tackling optimization problems featured by fluid system’s non-convex and non-smooth properties. Furthermore, we demonstrate reasonable sim-to-real transfer by deploying optimized trajectories in real-world settings. FluidLab is publicly available at: https://fluidlab2023.github.io.

Effective data-driven PDE forecasting methods often rely on fixed spatial and / or temporal discretizations. This raises limitations in real-world applications like weather prediction where flexible extrapolation at arbitrary spatiotemporal locations is required. We address this problem by introducing a new data-driven approach, DINo, that models a PDE's flow with continuous-time dynamics of spatially continuous functions. This is achieved by embedding spatial observations independently of their discretization via Implicit Neural Representations in a small latent space temporally driven by a learned ODE. This separate and flexible treatment of time and space makes DINo the first data-driven model to combine the following advantages. It extrapolates at arbitrary spatial and temporal locations; it can learn from sparse irregular grids or manifolds; at test time, it generalizes to new grids or resolutions. DINo outperforms alternative neural PDE forecasters in a variety of challenging generalization scenarios on representative PDE systems.