arXiv subjects

Anima Anandkumar

Publications and source records attributed to Anima Anandkumar.

At least 199 records · Page 11Linked to original sources

arXiv2022

RelViT: Concept-guided Vision Transformer for Visual Relational Reasoning

Reasoning about visual relationships is central to how humans interpret the visual world. This task remains challenging for current deep learning algorithms since it requires addressing three key technical problems jointly: 1) identifying object entities and their properties, 2) inferring semantic relations between pairs of entities, and 3) generalizing to novel object-relation combinations, i.e., systematic generalization. In this work, we use vision transformers (ViTs) as our base model for visual reasoning and make better use of concepts defined as object entities and their relations to improve the reasoning ability of ViTs. Specifically, we introduce a novel concept-feature dictionary to allow flexible image feature retrieval at training time with concept keys. This dictionary enables two new concept-guided auxiliary tasks: 1) a global task for promoting relational reasoning, and 2) a local task for facilitating semantic object-centric correspondence learning. To examine the systematic generalization of visual reasoning models, we introduce systematic splits for the standard HICO and GQA benchmarks. We show the resulting model, Concept-guided Vision Transformer (or RelViT for short) significantly outperforms prior approaches on HICO and GQA by 16% and 13% in the original split, and by 43% and 18% in the systematic split. Our ablation analyses also reveal our model's compatibility with multiple ViT variants and robustness to hyper-parameters.

cs.CV↗

arXiv2022

Finite-Time Regret of Thompson Sampling Algorithms for Exponential Family Multi-Armed Bandits

We study the regret of Thompson sampling (TS) algorithms for exponential family bandits, where the reward distribution is from a one-dimensional exponential family, which covers many common reward distributions including Bernoulli, Gaussian, Gamma, Exponential, etc. We propose a Thompson sampling algorithm, termed ExpTS, which uses a novel sampling distribution to avoid the under-estimation of the optimal arm. We provide a tight regret analysis for ExpTS, which simultaneously yields both the finite-time regret bound as well as the asymptotic regret bound. In particular, for a $K$-armed bandit with exponential family rewards, ExpTS over a horizon $T$ is sub-UCB (a strong criterion for the finite-time regret that is problem-dependent), minimax optimal up to a factor $\sqrt{\log K}$, and asymptotically optimal, for exponential family rewards. Moreover, we propose ExpTS$^+$, by adding a greedy exploitation step in addition to the sampling distribution used in ExpTS, to avoid the over-estimation of sub-optimal arms. ExpTS$^+$ is an anytime bandit algorithm and achieves the minimax optimality and asymptotic optimality simultaneously for exponential family reward distributions. Our proof techniques are general and conceptually simple and can be easily applied to analyze standard Thompson sampling with specific reward distributions.

stat.ML↗

arXiv2022

Reinforcement Learning with Fast Stabilization in Linear Dynamical Systems

In this work, we study model-based reinforcement learning (RL) in unknown stabilizable linear dynamical systems. When learning a dynamical system, one needs to stabilize the unknown dynamics in order to avoid system blow-ups. We propose an algorithm that certifies fast stabilization of the underlying system by effectively exploring the environment with an improved exploration strategy. We show that the proposed algorithm attains $\tilde{\mathcal{O}}(\sqrt{T})$ regret after $T$ time steps of agent-environment interaction. We also show that the regret of the proposed algorithm has only a polynomial dependence in the problem dimensions, which gives an exponential improvement over the prior methods. Our improved exploration method is simple, yet efficient, and it combines a sophisticated exploration policy in RL with an isotropic exploration strategy to achieve fast stabilization and improved regret. We empirically demonstrate that the proposed algorithm outperforms other popular methods in several adaptive control tasks.

cs.LG↗

arXiv2022

KCRL: Krasovskii-Constrained Reinforcement Learning with Guaranteed Stability in Nonlinear Dynamical Systems

Learning a dynamical system requires stabilizing the unknown dynamics to avoid state blow-ups. However, current reinforcement learning (RL) methods lack stabilization guarantees, which limits their applicability for the control of safety-critical systems. We propose a model-based RL framework with formal stability guarantees, Krasovskii Constrained RL (KCRL), that adopts Krasovskii's family of Lyapunov functions as a stability constraint. The proposed method learns the system dynamics up to a confidence interval using feature representation, e.g. Random Fourier Features. It then solves a constrained policy optimization problem with a stability constraint based on Krasovskii's method using a primal-dual approach to recover a stabilizing policy. We show that KCRL is guaranteed to learn a stabilizing policy in a finite number of interactions with the underlying unknown system. We also derive the sample complexity upper bound for stabilization of unknown nonlinear dynamical systems via the KCRL framework.

cs.LG↗

arXiv2022

Diffusion Models for Adversarial Purification

Adversarial purification refers to a class of defense methods that remove adversarial perturbations using a generative model. These methods do not make assumptions on the form of attack and the classification model, and thus can defend pre-existing classifiers against unseen threats. However, their performance currently falls behind adversarial training methods. In this work, we propose DiffPure that uses diffusion models for adversarial purification: Given an adversarial example, we first diffuse it with a small amount of noise following a forward diffusion process, and then recover the clean image through a reverse generative process. To evaluate our method against strong adaptive attacks in an efficient and scalable way, we propose to use the adjoint method to compute full gradients of the reverse generative process. Extensive experiments on three image datasets including CIFAR-10, ImageNet and CelebA-HQ with three classifier architectures including ResNet, WideResNet and ViT demonstrate that our method achieves the state-of-the-art results, outperforming current adversarial training and adversarial purification methods, often by a large margin. Project page: https://diffpure.github.io.

cs.LG↗

arXiv2022

U-FNO -- An enhanced Fourier neural operator-based deep-learning model for multiphase flow

Numerical simulation of multiphase flow in porous media is essential for many geoscience applications. Machine learning models trained with numerical simulation data can provide a faster alternative to traditional simulators. Here we present U-FNO, a novel neural network architecture for solving multiphase flow problems with superior accuracy, speed, and data efficiency. U-FNO is designed based on the newly proposed Fourier neural operator (FNO), which has shown excellent performance in single-phase flows. We extend the FNO-based architecture to a highly complex CO2-water multiphase problem with wide ranges of permeability and porosity heterogeneity, anisotropy, reservoir conditions, injection configurations, flow rates, and multiphase flow properties. The U-FNO architecture is more accurate in gas saturation and pressure buildup predictions than the original FNO and a state-of-the-art convolutional neural network (CNN) benchmark. Meanwhile, it has superior data utilization efficiency, requiring only a third of the training data to achieve the equivalent accuracy as CNN. U-FNO provides superior performance in highly heterogeneous geological formations and critically important applications such as gas saturation and pressure buildup "fronts" determination. The trained model can serve as a general-purpose alternative to routine numerical simulations of 2D-radial CO2 injection problems with significant speed-ups than traditional simulators.

physics.geo-ph↗

arXiv2022

FreeSOLO: Learning to Segment Objects without Annotations

Instance segmentation is a fundamental vision task that aims to recognize and segment each object in an image. However, it requires costly annotations such as bounding boxes and segmentation masks for learning. In this work, we propose a fully unsupervised learning method that learns class-agnostic instance segmentation without any annotations. We present FreeSOLO, a self-supervised instance segmentation framework built on top of the simple instance segmentation method SOLO. Our method also presents a novel localization-aware pre-training framework, where objects can be discovered from complicated scenes in an unsupervised manner. FreeSOLO achieves 9.8% AP_{50} on the challenging COCO dataset, which even outperforms several segmentation proposal methods that use manual annotations. For the first time, we demonstrate unsupervised class-agnostic instance segmentation successfully. FreeSOLO's box localization significantly outperforms state-of-the-art unsupervised object detection/discovery methods, with about 100% relative improvements in COCO AP. FreeSOLO further demonstrates superiority as a strong pre-training method, outperforming state-of-the-art self-supervised pre-training methods by +9.8% AP when fine-tuning instance segmentation with only 5% COCO masks. Code is available at: github.com/NVlabs/FreeSOLO

cs.CV↗

arXiv2022

M$^2$BEV: Multi-Camera Joint 3D Detection and Segmentation with Unified Birds-Eye View Representation

In this paper, we propose M$^2$BEV, a unified framework that jointly performs 3D object detection and map segmentation in the Birds Eye View~(BEV) space with multi-camera image inputs. Unlike the majority of previous works which separately process detection and segmentation, M$^2$BEV infers both tasks with a unified model and improves efficiency. M$^2$BEV efficiently transforms multi-view 2D image features into the 3D BEV feature in ego-car coordinates. Such BEV representation is important as it enables different tasks to share a single encoder. Our framework further contains four important designs that benefit both accuracy and efficiency: (1) An efficient BEV encoder design that reduces the spatial dimension of a voxel feature map. (2) A dynamic box assignment strategy that uses learning-to-match to assign ground-truth 3D boxes with anchors. (3) A BEV centerness re-weighting that reinforces with larger weights for more distant predictions, and (4) Large-scale 2D detection pre-training and auxiliary supervision. We show that these designs significantly benefit the ill-posed camera-based 3D perception tasks where depth information is missing. M$^2$BEV is memory efficient, allowing significantly higher resolution images as input, with faster inference speed. Experiments on nuScenes show that M$^2$BEV achieves state-of-the-art results in both 3D object detection and BEV segmentation, with the best single model achieving 42.5 mAP and 57.0 mIoU in these two tasks, respectively.

cs.CV↗

arXiv2022

Few-shot Instruction Prompts for Pretrained Language Models to Detect Social Biases

Detecting social bias in text is challenging due to nuance, subjectivity, and difficulty in obtaining good quality labeled datasets at scale, especially given the evolving nature of social biases and society. To address these challenges, we propose a few-shot instruction-based method for prompting pre-trained language models (LMs). We select a few class-balanced exemplars from a small support repository that are closest to the query to be labeled in the embedding space. We then provide the LM with instruction that consists of this subset of labeled exemplars, the query text to be classified, a definition of bias, and prompt it to make a decision. We demonstrate that large LMs used in a few-shot context can detect different types of fine-grained biases with similar and sometimes superior accuracy to fine-tuned models. We observe that the largest 530B parameter model is significantly more effective in detecting social bias compared to smaller models (achieving at least 13% improvement in AUC metric compared to other models). It also maintains a high AUC (dropping less than 2%) when the labeled repository is reduced to as few as $100$ samples. Large pretrained language models thus make it easier and quicker to build new bias detectors.

cs.CL↗

arXiv2022

Informing Geometric Deep Learning with Electronic Interactions to Accelerate Quantum Chemistry

Predicting electronic energies, densities, and related chemical properties can facilitate the discovery of novel catalysts, medicines, and battery materials. By developing a physics-inspired equivariant neural network, we introduce a method to learn molecular representations based on the electronic interactions among atomic orbitals. Our method, OrbNet-Equi, leverages efficient tight-binding simulations and learned mappings to recover high fidelity quantum chemical properties. OrbNet-Equi models a wide spectrum of target properties with an accuracy consistently better than standard machine learning methods and a speed orders of magnitude greater than density functional theory. Despite only using training samples collected from readily available small-molecule libraries, OrbNet-Equi outperforms traditional methods on comprehensive downstream benchmarks that encompass diverse main-group chemical processes. Our method also describes interactions in challenging charge-transfer complexes and open-shell systems. We anticipate that the strategy presented here will help to expand opportunities for studies in chemistry and materials science, where the acquisition of experimental or reference training data is costly.

cs.LG↗

arXiv2022

Adaptive Fourier Neural Operators: Efficient Token Mixers for Transformers

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.

cs.CV↗

arXiv2022

Panoptic SegFormer: Delving Deeper into Panoptic Segmentation with Transformers

Panoptic segmentation involves a combination of joint semantic segmentation and instance segmentation, where image contents are divided into two types: things and stuff. We present Panoptic SegFormer, a general framework for panoptic segmentation with transformers. It contains three innovative components: an efficient deeply-supervised mask decoder, a query decoupling strategy, and an improved post-processing method. We also use Deformable DETR to efficiently process multi-scale features, which is a fast and efficient version of DETR. Specifically, we supervise the attention modules in the mask decoder in a layer-wise manner. This deep supervision strategy lets the attention modules quickly focus on meaningful semantic regions. It improves performance and reduces the number of required training epochs by half compared to Deformable DETR. Our query decoupling strategy decouples the responsibilities of the query set and avoids mutual interference between things and stuff. In addition, our post-processing strategy improves performance without additional costs by jointly considering classification and segmentation qualities to resolve conflicting mask overlaps. Our approach increases the accuracy 6.2\% PQ over the baseline DETR model. Panoptic SegFormer achieves state-of-the-art results on COCO test-dev with 56.2\% PQ. It also shows stronger zero-shot robustness over existing methods. The code is released at \url{https://github.com/zhiqi-li/Panoptic-SegFormer}.

cs.CV↗

arXiv2022

Generic Lithography Modeling with Dual-band Optics-Inspired Neural Networks

Lithography simulation is a critical step in VLSI design and optimization for manufacturability. Existing solutions for highly accurate lithography simulation with rigorous models are computationally expensive and slow, even when equipped with various approximation techniques. Recently, machine learning has provided alternative solutions for lithography simulation tasks such as coarse-grained edge placement error regression and complete contour prediction. However, the impact of these learning-based methods has been limited due to restrictive usage scenarios or low simulation accuracy. To tackle these concerns, we introduce an dual-band optics-inspired neural network design that considers the optical physics underlying lithography. To the best of our knowledge, our approach yields the first published via/metal layer contour simulation at 1nm^2/pixel resolution with any tile size. Compared to previous machine learning based solutions, we demonstrate that our framework can be trained much faster and offers a significant improvement on efficiency and image quality with 20X smaller model size. We also achieve 85X simulation speedup over traditional lithography simulator with 1% accuracy loss.

cs.OH↗

arXiv2022

Variational Quantum Optimization with Multi-Basis Encodings

Despite extensive research efforts, few quantum algorithms for classical optimization demonstrate realizable quantum advantage. The utility of many quantum algorithms is limited by high requisite circuit depth and nonconvex optimization landscapes. We tackle these challenges by introducing a new variational quantum algorithm that benefits from two innovations: multi-basis graph encodings and nonlinear activation functions. Our technique results in increased optimization performance, a factor of two increase in effective quantum resources, and a quadratic reduction in measurement complexity. While the classical simulation of many qubits with traditional quantum formalism is impossible due to its exponential scaling, we mitigate this limitation with exact circuit representations using factorized tensor rings. In particular, the shallow circuits permitted by our technique, combined with efficient factorized tensor-based simulation, enable us to successfully optimize the MaxCut of the nonlocally connected $512$-vertex DIMACS library graphs on a single GPU. By improving the performance of quantum optimization algorithms while requiring fewer quantum resources and utilizing shallower, more error-resistant circuits, we offer tangible progress for variational quantum optimization.

quant-ph↗

arXiv2022

AugMax: Adversarial Composition of Random Augmentations for Robust Training

Data augmentation is a simple yet effective way to improve the robustness of deep neural networks (DNNs). Diversity and hardness are two complementary dimensions of data augmentation to achieve robustness. For example, AugMix explores random compositions of a diverse set of augmentations to enhance broader coverage, while adversarial training generates adversarially hard samples to spot the weakness. Motivated by this, we propose a data augmentation framework, termed AugMax, to unify the two aspects of diversity and hardness. AugMax first randomly samples multiple augmentation operators and then learns an adversarial mixture of the selected operators. Being a stronger form of data augmentation, AugMax leads to a significantly augmented input distribution which makes model training more challenging. To solve this problem, we further design a disentangled normalization module, termed DuBIN (Dual-Batch-and-Instance Normalization), that disentangles the instance-wise feature heterogeneity arising from AugMax. Experiments show that AugMax-DuBIN leads to significantly improved out-of-distribution robustness, outperforming prior arts by 3.03%, 3.49%, 1.82% and 0.71% on CIFAR10-C, CIFAR100-C, Tiny ImageNet-C and ImageNet-C. Codes and pretrained models are available: https://github.com/VITA-Group/AugMax.

cs.CV↗

arXiv2021

TensorLy-Quantum: Quantum Machine Learning with Tensor Methods

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly reduce this overhead, tensor network-based simulators are relatively few and often lack crucial functionalities. To address this deficiency, we created TensorLy-Quantum, a Python library for quantum circuit simulation that adopts the PyTorch API. Our library leverages the optimized tensor methods of the existing TensorLy ecosystem to represent, simulate, and manipulate large-scale quantum circuits. Through compact tensor representations and efficient operations, TensorLy-Quantum can scale to hundreds of qubits on a single GPU and thousands of qubits on multiple GPUs. TensorLy-Quantum is open-source and accessible at https://github.com/tensorly/quantum

quant-ph↗

arXiv2021

CEM-GD: Cross-Entropy Method with Gradient Descent Planner for Model-Based Reinforcement Learning

Current state-of-the-art model-based reinforcement learning algorithms use trajectory sampling methods, such as the Cross-Entropy Method (CEM), for planning in continuous control settings. These zeroth-order optimizers require sampling a large number of trajectory rollouts to select an optimal action, which scales poorly for large prediction horizons or high dimensional action spaces. First-order methods that use the gradients of the rewards with respect to the actions as an update can mitigate this issue, but suffer from local optima due to the non-convex optimization landscape. To overcome these issues and achieve the best of both worlds, we propose a novel planner, Cross-Entropy Method with Gradient Descent (CEM-GD), that combines first-order methods with CEM. At the beginning of execution, CEM-GD uses CEM to sample a significant amount of trajectory rollouts to explore the optimization landscape and avoid poor local minima. It then uses the top trajectories as initialization for gradient descent and applies gradient updates to each of these trajectories to find the optimal action sequence. At each subsequent time step, however, CEM-GD samples much fewer trajectories from CEM before applying gradient updates. We show that as the dimensionality of the planning problem increases, CEM-GD maintains desirable performance with a constant small number of samples by using the gradient information, while avoiding local optima using initially well-sampled trajectories. Furthermore, CEM-GD achieves better performance than CEM on a variety of continuous control benchmarks in MuJoCo with 100x fewer samples per time step, resulting in around 25% less computation time and 10% less memory usage. The implementation of CEM-GD is available at $\href{https://github.com/KevinHuang8/CEM-GD}{\text{https://github.com/KevinHuang8/CEM-GD}}$.

cs.LG↗

arXiv2021

Long-Short Transformer: Efficient Transformers for Language and Vision

Transformers have achieved success in both language and vision domains. However, it is prohibitively expensive to scale them to long sequences such as long documents or high-resolution images, because self-attention mechanism has quadratic time and memory complexities with respect to the input sequence length. In this paper, we propose Long-Short Transformer (Transformer-LS), an efficient self-attention mechanism for modeling long sequences with linear complexity for both language and vision tasks. It aggregates a novel long-range attention with dynamic projection to model distant correlations and a short-term attention to capture fine-grained local correlations. We propose a dual normalization strategy to account for the scale mismatch between the two attention mechanisms. Transformer-LS can be applied to both autoregressive and bidirectional models without additional complexity. Our method outperforms the state-of-the-art models on multiple tasks in language and vision domains, including the Long Range Arena benchmark, autoregressive language modeling, and ImageNet classification. For instance, Transformer-LS achieves 0.97 test BPC on enwik8 using half the number of parameters than previous method, while being faster and is able to handle 3x as long sequences compared to its full-attention version on the same hardware. On ImageNet, it can obtain the state-of-the-art results (e.g., a moderate size of 55.8M model solely trained on 224x224 ImageNet-1K can obtain Top-1 accuracy 84.1%), while being more scalable on high-resolution images. The source code and models are released at https://github.com/NVIDIA/transformer-ls .

cs.CV↗