pwc-archive/papers-with-abstracts huggingface dataset:
RevBiFPN: The Fully Reversible Bidirectional Feature Pyramid Network
Authors: Vitaliy Chiley, Vithursan Thangarasa, Abhay Gupta, Anshul Samar, Joel Hestness, Dennis Decoste
Date: 2022-06-28 00:00:00
Tasks: General Classification, image-classification, Image Classification, Instance Segmentation, Object Detection

This work introduces RevSilo, the first reversible bidirectional multi-scale feature fusion module. Like other reversible methods, RevSilo eliminates the need to store hidden activations by recomputing them. However, existing reversible methods do not apply to multi-scale feature fusion and are, therefore, not applicable to a large class of networks. Bidirectional multi-scale feature fusion promotes local and global coherence and has become a de facto design principle for networks targeting spatially sensitive tasks, e.g., HRNet (Sun et al., 2019a) and EfficientDet (Tan et al., 2020). These networks achieve state-of-the-art results across various computer vision tasks when paired with high-resolution inputs. However, training them requires substantial accelerator memory for saving large, multi-resolution activations. These memory requirements inherently cap the size of neural networks, limiting improvements that come from scale. Operating across resolution scales, RevSilo alleviates these issues. Stacking RevSilos, we create RevBiFPN, a fully reversible bidirectional feature pyramid network. RevBiFPN is competitive with networks such as EfficientNet while using up to 19.8x lesser training memory for image classification. When fine-tuned on MS COCO, RevBiFPN provides up to a 2.5% boost in AP over HRNet using fewer MACs and a 2.4x reduction in training-time memory.
Hamiltonian Monte Carlo Particle Swarm Optimizer
Authors: Omatharv Bharat Vaidya, Rithvik Terence DSouza, Snehanshu Saha, Soma Dhavala, Swagatam Das
Date: 2022-05-08 00:00:00
Tasks: Position

We introduce the Hamiltonian Monte Carlo Particle Swarm Optimizer (HMC-PSO), an optimization algorithm that reaps the benefits of both Exponentially Averaged Momentum PSO and HMC sampling. The coupling of the position and velocity of each particle with Hamiltonian dynamics in the simulation allows for extensive freedom for exploration and exploitation of the search space. It also provides an excellent technique to explore highly non-convex functions while ensuring efficient sampling. We extend the method to approximate error gradients in closed form for Deep Neural Network (DNN) settings. We discuss possible methods of coupling and compare its performance to that of state-of-the-art optimizers on the Golomb's Ruler problem and Classification tasks.
Memory Safe Computations with XLA Compiler
Authors: Artem Artemev, Tilman Roeder, Mark van der Wilk
Date: 2022-06-28 00:00:00

Software packages like TensorFlow and PyTorch are designed to support linear algebra operations, and their speed and usability determine their success. However, by prioritising speed, they often neglect memory requirements. As a consequence, the implementations of memory-intensive algorithms that are convenient in terms of software design can often not be run for large problems due to memory overflows. Memory-efficient solutions require complex programming approaches with significant logic outside the computational framework. This impairs the adoption and use of such algorithms. To address this, we developed an XLA compiler extension that adjusts the computational data-flow representation of an algorithm according to a user-specified memory limit. We show that k-nearest neighbour and sparse Gaussian process regression methods can be run at a much larger scale on a single device, where standard implementations would have failed. Our approach leads to better use of hardware resources. We believe that further focus on removing memory constraints at a compiler level will widen the range of machine learning methods that can be developed in the future.
How to Steer Your Adversary: Targeted and Efficient Model Stealing Defenses with Gradient Redirection
Authors: Mantas Mazeika, Bo Li, David Forsyth
Date: 2022-06-28 00:00:00

Model stealing attacks present a dilemma for public machine learning APIs. To protect financial investments, companies may be forced to withhold important information about their models that could facilitate theft, including uncertainty estimates and prediction explanations. This compromise is harmful not only to users but also to external transparency. Model stealing defenses seek to resolve this dilemma by making models harder to steal while preserving utility for benign users. However, existing defenses have poor performance in practice, either requiring enormous computational overheads or severe utility trade-offs. To meet these challenges, we present a new approach to model stealing defenses called gradient redirection. At the core of our approach is a provably optimal, efficient algorithm for steering an adversary's training updates in a targeted manner. Combined with improvements to surrogate networks and a novel coordinated defense strategy, our gradient redirection defense, called GRAD${}^2$, achieves small utility trade-offs and low computational overhead, outperforming the best prior defenses. Moreover, we demonstrate how gradient redirection enables reprogramming the adversary with arbitrary behavior, which we hope will foster work on new avenues of defense.
Risk Perspective Exploration in Distributional Reinforcement Learning
Authors: Jihwan Oh, Joonkee Kim, Se-Young Yun
Date: 2022-06-28 00:00:00
Tasks: Distributional Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Scheduling

Distributional reinforcement learning demonstrates state-of-the-art performance in continuous and discrete control settings with the features of variance and risk, which can be used to explore. However, the exploration method employing the risk property is hard to find, although numerous exploration methods in Distributional RL employ the variance of return distribution per action. In this paper, we present risk scheduling approaches that explore risk levels and optimistic behaviors from a risk perspective. We demonstrate the performance enhancement of the DMIX algorithm using risk scheduling in a multi-agent setting with comprehensive experiments.
Low Emission Building Control with Zero-Shot Reinforcement Learning
Authors: Scott R. Jeen, Alessandro Abate, Jonathan M. Cullen
Date: 2022-06-28 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Heating and cooling systems in buildings account for 31% of global energy use, much of which are regulated by Rule Based Controllers (RBCs) that neither maximise energy efficiency nor minimise emissions by interacting optimally with the grid. Control via Reinforcement Learning (RL) has been shown to significantly improve building energy efficiency, but existing solutions require access to building-specific simulators or data that cannot be expected for every building in the world. In response, we show it is possible to obtain emission-reducing policies without such knowledge a priori--a paradigm we call zero-shot building control. We combine ideas from system identification and model-based RL to create PEARL (Probabilistic Emission-Abating Reinforcement Learning) and show that a short period of active exploration is all that is required to build a performant model. In experiments across three varied building energy simulations, we show PEARL outperforms an existing RBC once, and popular RL baselines in all cases, reducing building emissions by as much as 31% whilst maintaining thermal comfort. Our source code is available online via https://enjeeneer.io/projects/pearl/
AI-based computer-aided diagnostic system of chest digital tomography synthesis: Demonstrating comparative advantage with X-ray-based AI systems
Authors: Kyung-Su Kim, Ju Hwan Lee, Seong Je Oh, Myung Jin Chung
Date: 2022-06-18 00:00:00
Tasks: Diagnostic, Lesion Detection

Compared with chest X-ray (CXR) imaging, which is a single image projected from the front of the patient, chest digital tomosynthesis (CDTS) imaging can be more advantageous for lung lesion detection because it acquires multiple images projected from multiple angles of the patient. Various clinical comparative analysis and verification studies have been reported to demonstrate this, but there were no artificial intelligence (AI)-based comparative analysis studies. Existing AI-based computer-aided detection (CAD) systems for lung lesion diagnosis have been developed mainly based on CXR images; however, CAD-based on CDTS, which uses multi-angle images of patients in various directions, has not been proposed and verified for its usefulness compared to CXR-based counterparts. This study develops/tests a CDTS-based AI CAD system to detect lung lesions to demonstrate performance improvements compared to CXR-based AI CAD. We used multiple projection images as input for the CDTS-based AI model and a single-projection image as input for the CXR-based AI model to fairly compare and evaluate the performance between models. The proposed CDTS-based AI CAD system yielded sensitivities of 0.782 and 0.785 and accuracies of 0.895 and 0.837 for the performance of detecting tuberculosis and pneumonia, respectively, against normal subjects. These results show higher performance than sensitivities of 0.728 and 0.698 and accuracies of 0.874 and 0.826 for detecting tuberculosis and pneumonia through the CXR-based AI CAD, which only uses a single projection image in the frontal direction. We found that CDTS-based AI CAD improved the sensitivity of tuberculosis and pneumonia by 5.4% and 8.7% respectively, compared to CXR-based AI CAD without loss of accuracy. Therefore, we comparatively prove that CDTS-based AI CAD technology can improve performance more than CXR, enhancing the clinical applicability of CDTS.
Deep Learning-Based Defect Classification and Detection in SEM Images
Authors: Bappaditya Deya, Dipam Goswamif, Sandip Haldera, Kasem Khalilb, Philippe Leraya, Magdy A. Bayoumi
Date: 2022-06-20 00:00:00
Tasks: Deep Learning

This proposes a novel ensemble deep learning-based model to accurately classify, detect and localize different defect categories for aggressive pitches and thin resists (High NA applications).In particular, we train RetinaNet models using different ResNet, VGGNet architectures as backbone and present the comparison between the accuracies of these models and their performance analysis on SEM images with different types of defect patterns such as bridge, break and line collapses. Finally, we propose a preference-based ensemble strategy to combine the output predictions from different models in order to achieve better performance on classification and detection of defects. As CDSEM images inherently contain a significant level of noise, detailed feature information is often shadowed by noise. For certain resist profiles, the challenge is also to differentiate between a microbridge, footing, break, and zones of probable breaks. Therefore, we have applied an unsupervised machine learning model to denoise the SEM images to remove the False-Positive defects and optimize the effect of stochastic noise on structured pixels for better metrology and enhanced defect inspection. We repeated the defect inspection step with the same trained model and performed a comparative analysis for "robustness" and "accuracy" metric with conventional approach for both noisy/denoised image pair. The proposed ensemble method demonstrates improvement of the average precision metric (mAP) of the most difficult defect classes. In this work we have developed a novel robust supervised deep learning training scheme to accurately classify as well as localize different defect types in SEM images with high degree of accuracy. Our proposed approach demonstrates its effectiveness both quantitatively and qualitatively.
Tensor Recovery Based on A Novel Non-convex Function Minimax Logarithmic Concave Penalty Function
Authors: HongBing Zhang, Xinyi Liu, Chang Liu, HongTao Fan, YaJing Li, Xinyun Zhu
Date: 2022-06-25 00:00:00

Non-convex relaxation methods have been widely used in tensor recovery problems, and compared with convex relaxation methods, can achieve better recovery results. In this paper, a new non-convex function, Minimax Logarithmic Concave Penalty (MLCP) function, is proposed, and some of its intrinsic properties are analyzed, among which it is interesting to find that the Logarithmic function is an upper bound of the MLCP function. The proposed function is generalized to tensor cases, yielding tensor MLCP and weighted tensor $L\gamma$-norm. Consider that its explicit solution cannot be obtained when applying it directly to the tensor recovery problem. Therefore, the corresponding equivalence theorems to solve such problem are given, namely, tensor equivalent MLCP theorem and equivalent weighted tensor $L\gamma$-norm theorem. In addition, we propose two EMLCP-based models for classic tensor recovery problems, namely low-rank tensor completion (LRTC) and tensor robust principal component analysis (TRPCA), and design proximal alternate linearization minimization (PALM) algorithms to solve them individually. Furthermore, based on the Kurdyka-{\L}ojasiwicz property, it is proved that the solution sequence of the proposed algorithm has finite length and converges to the critical point globally. Finally, Extensive experiments show that proposed algorithm achieve good results, and it is confirmed that the MLCP function is indeed better than the Logarithmic function in the minimization problem, which is consistent with the analysis of theoretical properties.
AutoInit: Automatic Initialization via Jacobian Tuning
Authors: Tianyu He, Darshil Doshi, Andrey Gromov
Date: 2022-06-27 00:00:00

Good initialization is essential for training Deep Neural Networks (DNNs). Oftentimes such initialization is found through a trial and error approach, which has to be applied anew every time an architecture is substantially modified, or inherited from smaller size networks leading to sub-optimal initialization. In this work we introduce a new and cheap algorithm, that allows one to find a good initialization automatically, for general feed-forward DNNs. The algorithm utilizes the Jacobian between adjacent network blocks to tune the network hyperparameters to criticality. We solve the dynamics of the algorithm for fully connected networks with ReLU and derive conditions for its convergence. We then extend the discussion to more general architectures with BatchNorm and residual connections. Finally, we apply our method to ResMLP and VGG architectures, where the automatic one-shot initialization found by our method shows good performance on vision tasks.
A View Independent Classification Framework for Yoga Postures
Authors: Mustafa Chasmai, Nirjhar Das, Aman Bhardwaj, Rahul Garg
Date: 2022-06-27 00:00:00
Tasks: Classification, Pose Estimation, Transfer Learning

Yoga is a globally acclaimed and widely recommended practice for a healthy living. Maintaining correct posture while performing a Yogasana is of utmost importance. In this work, we employ transfer learning from Human Pose Estimation models for extracting 136 key-points spread all over the body to train a Random Forest classifier which is used for estimation of the Yogasanas. The results are evaluated on an in-house collected extensive yoga video database of 51 subjects recorded from 4 different camera angles. We propose a 3 step scheme for evaluating the generalizability of a Yoga classifier by testing it on 1) unseen frames, 2) unseen subjects, and 3) unseen camera angles. We argue that for most of the applications, validation accuracies on unseen subjects and unseen camera angles would be most important. We empirically analyze over three public datasets, the advantage of transfer learning and the possibilities of target leakage. We further demonstrate that the classification accuracies critically depend on the cross validation method employed and can often be misleading. To promote further research, we have made key-points dataset and code publicly available.
Materials Transformers Language Models for Generative Materials Design: a benchmark study
Authors: Nihang Fu, Lai Wei, Yuqi Song, Qinyang Li, Rui Xin, Sadman Sadeed Omee, Rongzhi Dong, Edirisuriya M. Dilanga Siriwardane, Jianjun Hu
Date: 2022-06-27 00:00:00

Pre-trained transformer language models on large unlabeled corpus have produced state-of-the-art results in natural language processing, organic molecule design, and protein sequence generation. However, no such models have been applied to learn the composition patterns of inorganic materials. Here we train a series of seven modern transformer language models (GPT, GPT-2, GPT-Neo, GPT-J, BLMM, BART, and RoBERTa) using the expanded formulas from material deposited in the ICSD, OQMD, and Materials Projects databases. Six different datasets with/out non-charge-neutral or balanced electronegativity samples are used to benchmark the performances and uncover the generation biases of modern transformer models for the generative design of materials compositions. Our extensive experiments showed that the causal language models based materials transformers can generate chemically valid materials compositions with as high as 97.54\% to be charge neutral and 91.40\% to be electronegativity balanced, which has more than 6 times higher enrichment compared to a baseline pseudo-random sampling algorithm. These models also demonstrate high novelty and their potential in new materials discovery has been proved by their capability to recover the leave-out materials. We also find that the properties of the generated samples can be tailored by training the models with selected training sets such as high-bandgap materials. Our experiments also showed that different models each have their own preference in terms of the properties of the generated samples and their running time complexity varies a lot. We have applied our materials transformer models to discover a set of new materials as validated using DFT calculations.
Ranking with multiple types of pairwise comparisons
Authors: M. E. J. Newman
Date: 2022-06-27 00:00:00

The task of ranking individuals or teams, based on a set of comparisons between pairs, arises in various contexts, including sporting competitions and the analysis of dominance hierarchies among animals and humans. Given data on which competitors beat which others, the challenge is to rank the competitors from best to worst. Here we study the problem of computing rankings when there are multiple, potentially conflicting modes of comparison, such as multiple types of dominance behaviors among animals. We assume that we do not know a priori what information each behavior conveys about the ranking, or even whether they convey any information at all. Nonetheless we show that it is possible to compute a ranking in this situation and present a fast method for doing so, based on a combination of an expectation-maximization algorithm and a modified Bradley-Terry model. We give a selection of example applications to both animal and human competition.
Exact Spectral Norm Regularization for Neural Networks
Authors: Anton Johansson, Claes Strannegård, Niklas Engsner, Petter Mostad
Date: 2022-06-27 00:00:00

We pursue a line of research that seeks to regularize the spectral norm of the Jacobian of the input-output mapping for deep neural networks. While previous work rely on upper bounding techniques, we provide a scheme that targets the exact spectral norm. We showcase that our algorithm achieves an improved generalization performance compared to previous spectral regularization techniques while simultaneously maintaining a strong safeguard against natural and adversarial noise. Moreover, we further explore some previous reasoning concerning the strong adversarial protection that Jacobian regularization provides and show that it can be misleading.
Heterogeneous mixtures of dictionary functions to approximate subspace invariance in Koopman operators
Authors: Charles A. Johnson, Shara Balakrishnan, Enoch Yeung
Date: 2022-06-27 00:00:00

Koopman operators model nonlinear dynamics as a linear dynamic system acting on a nonlinear function as the state. This nonstandard state is often called a Koopman observable and is usually approximated numerically by a superposition of functions drawn from a \textit{dictionary}. A widely used algorithm, is \textit{Extended Dynamic Mode Decomposition}, where the dictionary functions are drawn from a fixed, homogeneous class of functions. Recently, deep learning combined with EDMD has been used to learn novel dictionary functions in an algorithm called deep dynamic mode decomposition (deepDMD). The learned representation both (1) accurately models and (2) scales well with the dimension of the original nonlinear system. In this paper we analyze the learned dictionaries from deepDMD and explore the theoretical basis for their strong performance. We discover a novel class of dictionary functions to approximate Koopman observables. Error analysis of these dictionary functions show they satisfy a property of subspace approximation, which we define as uniform finite approximate closure. We discover that structured mixing of heterogeneous dictionary functions drawn from different classes of nonlinear functions achieve the same accuracy and dimensional scaling as deepDMD. This mixed dictionary does so with an order of magnitude reduction in parameters, while maintaining geometric interpretability. Our results provide a hypothesis to explain the success of deep neural networks in learning numerical approximations to Koopman operators.
Reduced Optimal Power Flow Using Graph Neural Network
Authors: Thuan Pham, Xingpeng Li
Date: 2022-06-27 00:00:00
Tasks: Graph Neural Network

OPF problems are formulated and solved for power system operations, especially for determining generation dispatch points in real-time. For large and complex power system networks with large numbers of variables and constraints, finding the optimal solution for real-time OPF in a timely manner requires a massive amount of computing power. This paper presents a new method to reduce the number of constraints in the original OPF problem using a graph neural network (GNN). GNN is an innovative machine learning model that utilizes features from nodes, edges, and network topology to maximize its performance. In this paper, we proposed a GNN model to predict which lines would be heavily loaded or congested with given load profiles and generation capacities. Only these critical lines will be monitored in an OPF problem, creating a reduced OPF (ROPF) problem. Significant saving in computing time is expected from the proposed ROPF model. A comprehensive analysis of predictions from the GNN model was also made. It is concluded that the application of GNN for ROPF is able to reduce computing time while retaining solution quality.