OpenRaiser/Intern-Atlas huggingface dataset:
On Joint Learning for Solving Placement and Routing in Chip Design
Venue: Conference NeurIPS 2021
Year: 2021

For its advantage in GPU acceleration and less dependency on human experts, machine learning has been an emerging tool for solving the placement and routing problems, as two critical steps in modern chip design flow. Being still in its early stage, there are fundamental issues: scalability, reward design, and end-to-end learning paradigm etc. To achieve end-to-end placement learning, we first propose a joint learning method termed by DeepPlace for the placement of macros and standard cells, by the integration of reinforcement learning with a gradient based optimization scheme. To further bridge the placement with the subsequent routing task, we also develop a joint learning approach via reinforcement learning to fulfill both macro placement and routing, which is called DeepPR. One key design in our (reinforcement) learning paradigm involves a multi-view embedding model to encode both global graph level and local node level information of the input macros. Moreover, the random network distillation is devised to encourage exploration. Experiments on public chip design benchmarks show that our method can effectively learn from experience and also provides intermediate placement for the post standard cell placement, within few hours for training.
Learning with Algorithmic Supervision via Continuous Relaxations
Venue: Conference NeurIPS 2021
Year: 2021

The integration of algorithmic components into neural architectures has gained increased attention recently, as it allows training neural networks with new forms of supervision such as ordering constraints or silhouettes instead of using ground truth labels. Many approaches in the field focus on the continuous relaxation of a specific task and show promising results in this context. But the focus on single tasks also limits the applicability of the proposed concepts to a narrow range of applications. In this work, we build on those ideas to propose an approach that allows to integrate algorithms into end-to-end trainable neural network architectures based on a general approximation of discrete conditions. To this end, we relax these conditions in control structures such as conditional statements, loops, and indexing, so that resulting algorithms are smoothly differentiable. To obtain meaningful gradients, each relevant variable is perturbed via logistic distributions and the expectation value under this perturbation is approximated. We evaluate the proposed continuous relaxation model on four challenging tasks and show that it can keep up with relaxations specifically designed for each individual task.
Differentiable Multiple Shooting Layers
Venue: Conference NeurIPS 2021
Year: 2021

We detail a novel class of implicit neural models. Leveraging time-parallel methods for differential equations, Multiple Shooting Layers (MSLs) seek solutions of initial value problems via parallelizable root-finding algorithms. MSLs broadly serve as drop-in replacements for neural ordinary differential equations (Neural ODEs) with improved efficiency in number of function evaluations (NFEs) and wall-clock inference time. We develop the algorithmic framework of MSLs, analyzing the different choices of solution methods from a theoretical and computational perspective. MSLs are showcased in long horizon optimal control of ODEs and PDEs and as latent models for sequence generation. Finally, we investigate the speedups obtained through application of MSL inference in neural controlled differential equations (Neural CDEs) for time series classification of medical data.
Global-aware Beam Search for Neural Abstractive Summarization
Venue: Conference NeurIPS 2021
Year: 2021

This study develops a calibrated beam-based algorithm with awareness of the global attention distribution for neural abstractive summarization, aiming to improve the local optimality problem of the original beam search in a rigorous way. Specifically, a novel global protocol is proposed based on the attention distribution to stipulate how a global optimal hypothesis should attend to the source. A global scoring mechanism is then developed to regulate beam search to generate summaries in a near-global optimal fashion. This novel design enjoys a distinctive property, i.e., the global attention distribution could be predicted before inference, enabling step-wise improvements on the beam search through the global scoring mechanism. Extensive experiments on nine datasets show that the global (attention)-aware inference significantly improves state-of-the-art summarization models even using empirical hyper-parameters. The algorithm is also proven robust as it remains to generate meaningful texts with corrupted attention distributions. The codes and a comprehensive set of examples are available.
An Axiomatic Theory of Provably-Fair Welfare-Centric Machine Learning
Venue: Conference NeurIPS 2021
Year: 2021

We address an inherent difficulty in welfare-theoretic fair machine learning by proposing an equivalently axiomatically-justified alternative and studying the resulting computational and statistical learning questions. Welfare metrics quantify overall wellbeing across a population of one or more groups, and welfare-based objectives and constraints have recently been proposed to incentivize fair machine learning methods to produce satisfactory solutions that consider the diverse needs of multiple groups. Unfortunately, many machine-learning problems are more naturally cast as loss minimization tasks, rather than utility maximization, which complicates direct application of welfare-centric methods to fair machine learning. In this work, we define a complementary measure, termed malfare, measuring overall societal harm (rather than wellbeing), with axiomatic justification via the standard axioms of cardinal welfare. We then cast fair machine learning as malfare minimization over the risk values (expected losses) of each group. Surprisingly, the axioms of cardinal welfare (malfare) dictate that this is not equivalent to simply defining utility as negative loss. Building upon these concepts, we define fair-PAC (FPAC) learning, where an FPAC learner is an algorithm that learns an $\varepsilon$-$δ$ malfare-optimal model with bounded sample complexity, for any data distribution, and for any (axiomatically justified) malfare concept. Finally, we show broad conditions under which, with appropriate modifications, standard PAC-learners may be converted to FPAC learners. This places FPAC learning on firm theoretical ground, as it yields statistical and computational efficiency guarantees for many well-studied machine-learning models, and is also practically relevant, as it democratizes fair ML by providing concrete training algorithms and rigorous generalization guarantees for these models
HSVA: Hierarchical Semantic-Visual Adaptation for Zero-Shot Learning
Venue: Conference NeurIPS 2021
Year: 2021

Zero-shot learning (ZSL) tackles the unseen class recognition problem, transferring semantic knowledge from seen classes to unseen ones. Typically, to guarantee desirable knowledge transfer, a common (latent) space is adopted for associating the visual and semantic domains in ZSL. However, existing common space learning methods align the semantic and visual domains by merely mitigating distribution disagreement through one-step adaptation. This strategy is usually ineffective due to the heterogeneous nature of the feature representations in the two domains, which intrinsically contain both distribution and structure variations. To address this and advance ZSL, we propose a novel hierarchical semantic-visual adaptation (HSVA) framework. Specifically, HSVA aligns the semantic and visual domains by adopting a hierarchical two-step adaptation, i.e., structure adaptation and distribution adaptation. In the structure adaptation step, we take two task-specific encoders to encode the source data (visual domain) and the target data (semantic domain) into a structure-aligned common space. To this end, a supervised adversarial discrepancy (SAD) module is proposed to adversarially minimize the discrepancy between the predictions of two task-specific classifiers, thus making the visual and semantic feature manifolds more closely aligned. In the distribution adaptation step, we directly minimize the Wasserstein distance between the latent multivariate Gaussian distributions to align the visual and semantic distributions using a common encoder. Finally, the structure and distribution adaptation are derived in a unified framework under two partially-aligned variational autoencoders. Extensive experiments on four benchmark datasets demonstrate that HSVA achieves superior performance on both conventional and generalized ZSL. The code is available at \url{https://github.com/shiming-chen/HSVA} .
Low-Rank Subspaces in GANs
Venue: Conference NeurIPS 2021
Year: 2021

The latent space of a Generative Adversarial Network (GAN) has been shown to encode rich semantics within some subspaces. To identify these subspaces, researchers typically analyze the statistical information from a collection of synthesized data, and the identified subspaces tend to control image attributes globally (i.e., manipulating an attribute causes the change of an entire image). By contrast, this work introduces low-rank subspaces that enable more precise control of GAN generation. Concretely, given an arbitrary image and a region of interest (e.g., eyes of face images), we manage to relate the latent space to the image region with the Jacobian matrix and then use low-rank factorization to discover steerable latent subspaces. There are three distinguishable strengths of our approach that can be aptly called LowRankGAN. First, compared to analytic algorithms in prior work, our low-rank factorization of Jacobians is able to find the low-dimensional representation of attribute manifold, making image editing more precise and controllable. Second, low-rank factorization naturally yields a null space of attributes such that moving the latent code within it only affects the outer region of interest. Therefore, local image editing can be simply achieved by projecting an attribute vector into the null space without relying on a spatial mask as existing methods do. Third, our method can robustly work with a local region from one image for analysis yet well generalize to other images, making it much easy to use in practice. Extensive experiments on state-of-the-art GAN models (including StyleGAN2 and BigGAN) trained on various datasets demonstrate the effectiveness of our LowRankGAN.
Sample-Efficient Reinforcement Learning Is Feasible for Linearly Realizable MDPs with Limited Revisiting
Venue: Conference NeurIPS 2021
Year: 2021

Low-complexity models such as linear function representation play a pivotal role in enabling sample-efficient reinforcement learning (RL). The current paper pertains to a scenario with value-based linear representation, which postulates the linear realizability of the optimal Q-function (also called the "linear $Q^{\star}$ problem"). While linear realizability alone does not allow for sample-efficient solutions in general, the presence of a large sub-optimality gap is a potential game changer, depending on the sampling mechanism in use. Informally, sample efficiency is achievable with a large sub-optimality gap when a generative model is available but is unfortunately infeasible when we turn to standard online RL settings. In this paper, we make progress towards understanding this linear $Q^{\star}$ problem by investigating a new sampling protocol, which draws samples in an online/exploratory fashion but allows one to backtrack and revisit previous states in a controlled and infrequent manner. This protocol is more flexible than the standard online RL setting, while being practically relevant and far more restrictive than the generative model. We develop an algorithm tailored to this setting, achieving a sample complexity that scales polynomially with the feature dimension, the horizon, and the inverse sub-optimality gap, but not the size of the state/action space. Our findings underscore the fundamental interplay between sampling protocols and low-complexity structural representation in RL.
Self-Paced Contrastive Learning for Semi-supervised Medical Image Segmentation with Meta-labels
Venue: Conference NeurIPS 2021
Year: 2021

Pre-training a recognition model with contrastive learning on a large dataset of unlabeled data has shown great potential to boost the performance of a downstream task, e.g., image classification. However, in domains such as medical imaging, collecting unlabeled data can be challenging and expensive. In this work, we propose to adapt contrastive learning to work with meta-label annotations, for improving the model's performance in medical image segmentation even when no additional unlabeled data is available. Meta-labels such as the location of a 2D slice in a 3D MRI scan or the type of device used, often come for free during the acquisition process. We use the meta-labels for pre-training the image encoder as well as to regularize a semi-supervised training, in which a reduced set of annotated data is used for training. Finally, to fully exploit the weak annotations, a self-paced learning approach is used to help the learning and discriminate useful labels from noise. Results on three different medical image segmentation datasets show that our approach: i) highly boosts the performance of a model trained on a few scans, ii) outperforms previous contrastive and semi-supervised approaches, and iii) reaches close to the performance of a model trained on the full data.
Reverse engineering recurrent neural networks with Jacobian switching linear dynamical systems
Venue: Conference NeurIPS 2021
Year: 2021

Recurrent neural networks (RNNs) are powerful models for processing time-series data, but it remains challenging to understand how they function. Improving this understanding is of substantial interest to both the machine learning and neuroscience communities. The framework of reverse engineering a trained RNN by linearizing around its fixed points has provided insight, but the approach has significant challenges. These include difficulty choosing which fixed point to expand around when studying RNN dynamics and error accumulation when reconstructing the nonlinear dynamics with the linearized dynamics. We present a new model that overcomes these limitations by co-training an RNN with a novel switching linear dynamical system (SLDS) formulation. A first-order Taylor series expansion of the co-trained RNN and an auxiliary function trained to pick out the RNN's fixed points govern the SLDS dynamics. The results are a trained SLDS variant that closely approximates the RNN, an auxiliary function that can produce a fixed point for each point in state-space, and a trained nonlinear RNN whose dynamics have been regularized such that its first-order terms perform the computation, if possible. This model removes the post-training fixed point optimization and allows us to unambiguously study the learned dynamics of the SLDS at any point in state-space. It also generalizes SLDS models to continuous manifolds of switching points while sharing parameters across switches. We validate the utility of the model on two synthetic tasks relevant to previous work reverse engineering RNNs. We then show that our model can be used as a drop-in in more complex architectures, such as LFADS, and apply this LFADS hybrid to analyze single-trial spiking activity from the motor system of a non-human primate.
Learning-Augmented Dynamic Power Management with Multiple States via New Ski Rental Bounds
Venue: Conference NeurIPS 2021
Year: 2021

We study the online problem of minimizing power consumption in systems with multiple power-saving states. During idle periods of unknown lengths, an algorithm has to choose between power-saving states of different energy consumption and wake-up costs. We develop a learning-augmented online algorithm that makes decisions based on (potentially inaccurate) predicted lengths of the idle periods. The algorithm's performance is near-optimal when predictions are accurate and degrades gracefully with increasing prediction error, with a worst-case guarantee almost identical to the optimal classical online algorithm for the problem. A key ingredient in our approach is a new algorithm for the online ski rental problem in the learning augmented setting with tight dependence on the prediction error. We support our theoretical findings with experiments.
Learning Equivariant Energy Based Models with Equivariant Stein Variational Gradient Descent
Venue: Conference NeurIPS 2021
Year: 2021

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling method based on Stein's identity for sampling from densities with symmetries. Equivariant SVGD explicitly incorporates symmetry information in a density through equivariant kernels which makes the resultant sampler efficient both in terms of sample complexity and the quality of generated samples. Subsequently, we define equivariant energy based models to model invariant densities that are learned using contrastive divergence. By utilizing our equivariant SVGD for training equivariant EBMs, we propose new ways of improving and scaling up training of energy based models. We apply these equivariant energy models for modelling joint densities in regression and classification tasks for image datasets, many-body particle systems and molecular structure generation.
Large-Scale Unsupervised Object Discovery
Venue: Conference NeurIPS 2021
Year: 2021

Existing approaches to unsupervised object discovery (UOD) do not scale up to large datasets without approximations that compromise their performance. We propose a novel formulation of UOD as a ranking problem, amenable to the arsenal of distributed methods available for eigenvalue problems and link analysis. Through the use of self-supervised features, we also demonstrate the first effective fully unsupervised pipeline for UOD. Extensive experiments on COCO and OpenImages show that, in the single-object discovery setting where a single prominent object is sought in each image, the proposed LOD (Large-scale Object Discovery) approach is on par with, or better than the state of the art for medium-scale datasets (up to 120K images), and over 37% better than the only other algorithms capable of scaling up to 1.7M images. In the multi-object discovery setting where multiple objects are sought in each image, the proposed LOD is over 14% better in average precision (AP) than all other methods for datasets ranging from 20K to 1.7M images. Using self-supervised features, we also show that the proposed method obtains state-of-the-art UOD performance on OpenImages. Our code is publicly available at https://github.com/huyvvo/LOD.
Sparse Steerable Convolutions: An Efficient Learning of SE(3)-Equivariant Features for Estimation and Tracking of Object Poses in 3D Space
Venue: Conference NeurIPS 2021
Year: 2021

As a basic component of SE(3)-equivariant deep feature learning, steerable convolution has recently demonstrated its advantages for 3D semantic analysis. The advantages are, however, brought by expensive computations on dense, volumetric data, which prevent its practical use for efficient processing of 3D data that are inherently sparse. In this paper, we propose a novel design of Sparse Steerable Convolution (SS-Conv) to address the shortcoming; SS-Conv greatly accelerates steerable convolution with sparse tensors, while strictly preserving the property of SE(3)-equivariance. Based on SS-Conv, we propose a general pipeline for precise estimation of object poses, wherein a key design is a Feature-Steering module that takes the full advantage of SE(3)-equivariance and is able to conduct an efficient pose refinement. To verify our designs, we conduct thorough experiments on three tasks of 3D object semantic analysis, including instance-level 6D pose estimation, category-level 6D pose and size estimation, and category-level 6D pose tracking. Our proposed pipeline based on SS-Conv outperforms existing methods on almost all the metrics evaluated by the three tasks. Ablation studies also show the superiority of our SS-Conv over alternative convolutions in terms of both accuracy and efficiency. Our code is released publicly at https://github.com/Gorilla-Lab-SCUT/SS-Conv.
On Linear Stability of SGD and Input-Smoothness of Neural Networks
Venue: Conference NeurIPS 2021
Year: 2021

The multiplicative structure of parameters and input data in the first layer of neural networks is explored to build connection between the landscape of the loss function with respect to parameters and the landscape of the model function with respect to input data. By this connection, it is shown that flat minima regularize the gradient of the model function, which explains the good generalization performance of flat minima. Then, we go beyond the flatness and consider high-order moments of the gradient noise, and show that Stochastic Gradient Descent (SGD) tends to impose constraints on these moments by a linear stability analysis of SGD around global minima. Together with the multiplicative structure, we identify the Sobolev regularization effect of SGD, i.e. SGD regularizes the Sobolev seminorms of the model function with respect to the input data. Finally, bounds for generalization error and adversarial robustness are provided for solutions found by SGD under assumptions of the data distribution.
Joint inference and input optimization in equilibrium networks
Venue: Conference NeurIPS 2021
Year: 2021

Many tasks in deep learning involve optimizing over the \emph{inputs} to a network to minimize or maximize some objective; examples include optimization over latent spaces in a generative model to match a target image, or adversarially perturbing an input to worsen classifier performance. Performing such optimization, however, is traditionally quite costly, as it involves a complete forward and backward pass through the network for each gradient step. In a separate line of work, a recent thread of research has developed the deep equilibrium (DEQ) model, a class of models that foregoes traditional network depth and instead computes the output of a network by finding the fixed point of a single nonlinear layer. In this paper, we show that there is a natural synergy between these two settings. Although, naively using DEQs for these optimization problems is expensive (owing to the time needed to compute a fixed point for each gradient step), we can leverage the fact that gradient-based optimization can \emph{itself} be cast as a fixed point iteration to substantially improve the overall speed. That is, we \emph{simultaneously} both solve for the DEQ fixed point \emph{and} optimize over network inputs, all within a single ``augmented'' DEQ model that jointly encodes both the original network and the optimization process. Indeed, the procedure is fast enough that it allows us to efficiently \emph{train} DEQ models for tasks traditionally relying on an ``inner'' optimization loop. We demonstrate this strategy on various tasks such as training generative models while optimizing over latent codes, training models for inverse problems like denoising and inpainting, adversarial training and gradient based meta-learning.