pwc-archive/papers-with-abstracts huggingface dataset:
Differentially Private SGDA for Minimax Problems
Authors: Zhenhuan Yang, Shu Hu, Yunwen Lei, Kush R. Varshney, Siwei Lyu, Yiming Ying
Date: 2022-01-22 00:00:00

Stochastic gradient descent ascent (SGDA) and its variants have been the workhorse for solving minimax problems. However, in contrast to the well-studied stochastic gradient descent (SGD) with differential privacy (DP) constraints, there is little work on understanding the generalization (utility) of SGDA with DP constraints. In this paper, we use the algorithmic stability approach to establish the generalization (utility) of DP-SGDA in different settings. In particular, for the convex-concave setting, we prove that the DP-SGDA can achieve an optimal utility rate in terms of the weak primal-dual population risk in both smooth and non-smooth cases. To our best knowledge, this is the first-ever-known result for DP-SGDA in the non-smooth case. We further provide its utility analysis in the nonconvex-strongly-concave setting which is the first-ever-known result in terms of the primal population risk. The convergence and generalization results for this nonconvex setting are new even in the non-private setting. Finally, numerical experiments are conducted to demonstrate the effectiveness of DP-SGDA for both convex and nonconvex cases.
Good Classification Measures and How to Find Them
Authors: Martijn Gösgens, Anton Zhiyanov, Alexey Tikhonov, Liudmila Prokhorenkova
Date: 2022-01-22 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Classification

Several performance measures can be used for evaluating classification results: accuracy, F-measure, and many others. Can we say that some of them are better than others, or, ideally, choose one measure that is best in all situations? To answer this question, we conduct a systematic analysis of classification performance measures: we formally define a list of desirable properties and theoretically analyze which measures satisfy which properties. We also prove an impossibility theorem: some desirable properties cannot be simultaneously satisfied. Finally, we propose a new family of measures satisfying all desirable properties except one. This family includes the Matthews Correlation Coefficient and a so-called Symmetric Balanced Accuracy that was not previously used in classification literature. We believe that our systematic approach gives an important tool to practitioners for adequately evaluating classification results.
NAS-VAD: Neural Architecture Search for Voice Activity Detection
Authors: Daniel Rho, Jinhyeok Park, Jong Hwan Ko
Date: 2022-01-22 00:00:00
Tasks: Action Detection, Activity Detection, Neural Architecture Search

Various neural network-based approaches have been proposed for more robust and accurate voice activity detection (VAD). Manual design of such neural architectures is an error-prone and time-consuming process, which prompted the development of neural architecture search (NAS) that automatically design and optimize network architectures. While NAS has been successfully applied to improve performance in a variety of tasks, it has not yet been exploited in the VAD domain. In this paper, we present the first work that utilizes NAS approaches on the VAD task. To effectively search architectures for the VAD task, we propose a modified macro structure and a new search space with a much broader range of operations that includes attention operations. The results show that the network structures found by the propose NAS framework outperform previous manually designed state-of-the-art VAD models in various noise-added and real-world-recorded datasets. We also show that the architectures searched on a particular dataset achieve improved generalization performance on unseen audio datasets. Our code and models are available at https://github.com/daniel03c1/NAS_VAD.
Bi-CLKT: Bi-Graph Contrastive Learning based Knowledge Tracing
Authors: XiangYu Song, JianXin Li, Qi Lei, Wei Zhao, Yunliang Chen, Ajmal Mian
Date: 2022-01-22 00:00:00
Tasks: Contrastive Learning, Knowledge Tracing, Self-Supervised Learning

The goal of Knowledge Tracing (KT) is to estimate how well students have mastered a concept based on their historical learning of related exercises. The benefit of knowledge tracing is that students' learning plans can be better organised and adjusted, and interventions can be made when necessary. With the recent rise of deep learning, Deep Knowledge Tracing (DKT) has utilised Recurrent Neural Networks (RNNs) to accomplish this task with some success. Other works have attempted to introduce Graph Neural Networks (GNNs) and redefine the task accordingly to achieve significant improvements. However, these efforts suffer from at least one of the following drawbacks: 1) they pay too much attention to details of the nodes rather than to high-level semantic information; 2) they struggle to effectively establish spatial associations and complex structures of the nodes; and 3) they represent either concepts or exercises only, without integrating them. Inspired by recent advances in self-supervised learning, we propose a Bi-Graph Contrastive Learning based Knowledge Tracing (Bi-CLKT) to address these limitations. Specifically, we design a two-layer contrastive learning scheme based on an "exercise-to-exercise" (E2E) relational subgraph. It involves node-level contrastive learning of subgraphs to obtain discriminative representations of exercises, and graph-level contrastive learning to obtain discriminative representations of concepts. Moreover, we designed a joint contrastive loss to obtain better representations and hence better prediction performance. Also, we explored two different variants, using RNN and memory-augmented neural networks as the prediction layer for comparison to obtain better representations of exercises and concepts respectively. Extensive experiments on four real-world datasets show that the proposed Bi-CLKT and its variants outperform other baseline models.
Survival Prediction of Children Undergoing Hematopoietic Stem Cell Transplantation Using Different Machine Learning Classifiers by Performing Chi-squared Test and Hyper-parameter Optimization: A Retrospective Analysis
Authors: Ishrak Jahan Ratul, Ummay Habiba Wani, Mirza Muntasir Nishat, Abdullah Al-Monsur, Abrar Mohammad Ar-Rafi, Fahim Faisal, Mohammad Ridwan Kabir
Date: 2022-01-22 00:00:00
Tasks: Diagnostic, feature selection, Missing Values, Survival Prediction

Bone Marrow Transplant, a gradational rescue for a wide range of disorders emanating from the bone marrow, is an efficacious surgical treatment. Several risk factors, such as post-transplant illnesses, new malignancies, and even organ damage, can impair long-term survival. Therefore, technologies like Machine Learning are deployed for investigating the survival prediction of BMT receivers along with the influences that limit their resilience. In this study, an efficient survival classification model is presented in a comprehensive manner, incorporating the Chi-squared feature selection method to address the dimensionality problem and Hyper Parameter Optimization (HPO) to increase accuracy. A synthetic dataset is generated by imputing the missing values, transforming the data using dummy variable encoding, and compressing the dataset from 59 features to the 11 most correlated features using Chi-squared feature selection. The dataset was split into train and test sets at a ratio of 80:20, and the hyperparameters were optimized using Grid Search Cross-Validation. Several supervised ML methods were trained in this regard, like Decision Tree, Random Forest, Logistic Regression, K-Nearest Neighbors, Gradient Boosting Classifier, Ada Boost, and XG Boost. The simulations have been performed for both the default and optimized hyperparameters by using the original and reduced synthetic dataset. After ranking the features using the Chi-squared test, it was observed that the top 11 features with HPO, resulted in the same accuracy of prediction (94.73%) as the entire dataset with default parameters. Moreover, this approach requires less time and resources for predicting the survivability of children undergoing BMT. Hence, the proposed approach may aid in the development of a computer-aided diagnostic system with satisfactory accuracy and minimal computation time by utilizing medical data records.
PiCO+: Contrastive Label Disambiguation for Robust Partial Label Learning
Authors: Haobo Wang, Ruixuan Xiao, Yixuan Li, Lei Feng, Gang Niu, Gang Chen, Junbo Zhao
Date: 2022-01-22 00:00:00
Tasks: Contrastive Learning, Partial Label Learning, PICO, Representation Learning

Partial label learning (PLL) is an important problem that allows each training example to be labeled with a coarse candidate set, which well suits many real-world data annotation scenarios with label ambiguity. Despite the promise, the performance of PLL often lags behind the supervised counterpart. In this work, we bridge the gap by addressing two key research challenges in PLL -- representation learning and label disambiguation -- in one coherent framework. Specifically, our proposed framework PiCO consists of a contrastive learning module along with a novel class prototype-based label disambiguation algorithm. PiCO produces closely aligned representations for examples from the same classes and facilitates label disambiguation. Theoretically, we show that these two components are mutually beneficial, and can be rigorously justified from an expectation-maximization (EM) algorithm perspective. Moreover, we study a challenging yet practical noisy partial label learning setup, where the ground-truth may not be included in the candidate set. To remedy this problem, we present an extension PiCO+ that performs distance-based clean sample selection and learns robust classifiers by a semi-supervised contrastive learning algorithm. Extensive experiments demonstrate that our proposed methods significantly outperform the current state-of-the-art approaches in standard and noisy PLL tasks and even achieve comparable results to fully supervised learning.
Mechanical Search on Shelves using a Novel "Bluction" Tool
Authors: Huang Huang, Michael Danielczuk, Chung Min Kim, Letian Fu, Zachary Tam, Jeffrey Ichnowski, Anelia Angelova, Brian Ichter, Ken Goldberg
Date: 2022-01-22 00:00:00

Shelves are common in homes, warehouses, and commercial settings due to their storage efficiency. However, this efficiency comes at the cost of reduced visibility and accessibility. When looking from a side (lateral) view of a shelf, most objects will be fully occluded, resulting in a constrained lateral-access mechanical search problem. To address this problem, we introduce: (1) a novel bluction tool, which combines a thin pushing blade and suction cup gripper, (2) an improved LAX-RAY simulation pipeline and perception model that combines ray-casting with 2D Minkowski sums to efficiently generate target occupancy distributions, and (3) a novel SLAX-RAY search policy, which optimally reduces target object distribution support area using the bluction tool. Experimental data from 2000 simulated shelf trials and 18 trials with a physical Fetch robot equipped with the bluction tool suggest that using suction grasping actions improves the success rate over the highest performing push-only policy by 26% in simulation and 67% in physical environments.
The Many Faces of Adversarial Risk
Authors: Muni Sreenivas Pydi, Varun Jog
Date: 2022-01-22 00:00:00
Proceeding: NeurIPS 2021 12
Tasks: Adversarial Robustness

Adversarial risk quantifies the performance of classifiers on adversarially perturbed data. Numerous definitions of adversarial risk -- not all mathematically rigorous and differing subtly in the details -- have appeared in the literature. In this paper, we revisit these definitions, make them rigorous, and critically examine their similarities and differences. Our technical tools derive from optimal transport, robust statistics, functional analysis, and game theory. Our contributions include the following: generalizing Strassen's theorem to the unbalanced optimal transport setting with applications to adversarial classification with unequal priors; showing an equivalence between adversarial robustness and robust hypothesis testing with $\infty$-Wasserstein uncertainty sets; proving the existence of a pure Nash equilibrium in the two-player game between the adversary and the algorithm; and characterizing adversarial risk by the minimum Bayes error between a pair of distributions belonging to the $\infty$-Wasserstein uncertainty sets. Our results generalize and deepen recently discovered connections between optimal transport and adversarial robustness and reveal new connections to Choquet capacities and game theory.
Overcoming Oversmoothness in Graph Convolutional Networks via Hybrid Scattering Networks
Authors: Frederik Wenkel, Yimeng Min, Matthew Hirn, Michael Perlmutter, Guy Wolf
Date: 2022-01-22 00:00:00

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to graph-structured data arising in, e.g., social networks, biochemistry, and material science. Graph convolutional networks (GCNs) in particular, inspired by their Euclidean counterparts, have been successful in processing graph data by extracting structure-aware features. However, current GNN models are often constrained by various phenomena that limit their expressive power and ability to generalize to more complex graph datasets. Most models essentially rely on low-pass filtering of graph signals via local averaging operations, leading to oversmoothing. Moreover, to avoid severe oversmoothing, most popular GCN-style networks tend to be shallow, with narrow receptive fields, leading to underreaching. Here, we propose a hybrid GNN framework that combines traditional GCN filters with band-pass filters defined via geometric scattering. We further introduce an attention framework that allows the model to locally attend over combined information from different filters at the node level. Our theoretical results establish the complementary benefits of the scattering filters to leverage structural information from the graph, while our experiments show the benefits of our method on various learning tasks.
Nearest Class-Center Simplification through Intermediate Layers
Authors: Ido Ben-Shaul, Shai Dekel
Date: 2022-01-21 00:00:00
Tasks: Language Modeling, Language Modelling

Recent advances in theoretical Deep Learning have introduced geometric properties that occur during training, past the Interpolation Threshold -- where the training error reaches zero. We inquire into the phenomena coined Neural Collapse in the intermediate layers of the networks, and emphasize the innerworkings of Nearest Class-Center Mismatch inside the deepnet. We further show that these processes occur both in vision and language model architectures. Lastly, we propose a Stochastic Variability-Simplification Loss (SVSL) that encourages better geometrical features in intermediate layers, and improves both train metrics and generalization.
Uncertainty-Cognizant Model Predictive Control for Energy Management of Residential Buildings with PVT and Thermal Energy Storage
Authors: Hossein Kalantar-Neyestanaki, Madjid Soltani
Date: 2022-01-21 00:00:00
Tasks: energy management, Management, Model Predictive Control

The building sector accounts for almost 40 percent of the global energy consumption. This reveals a great opportunity to exploit renewable energy resources in buildings to achieve the climate target. In this context, this paper offers a building energy system embracing a heat pump, a thermal energy storage system along with grid-connected photovoltaic thermal (PVT) collectors to supply both electric and thermal energy demands of the building with minimum operating cost. To this end, the paper develops a stochastic model predictive control (MPC) strategy to optimally determine the set-point of the whole building energy system while accounting for the uncertainties associated with the PVT energy generation. This system enables the building to 1-shift its electric demand from high-peak to off-peak hours and 2- sell electricity to the grid to make energy arbitrage.
Optimal Dynamic Regret in Proper Online Learning with Strongly Convex Losses and Beyond
Authors: Dheeraj Baby, Yu-Xiang Wang
Date: 2022-01-21 00:00:00

We study the framework of universal dynamic regret minimization with strongly convex losses. We answer an open problem in Baby and Wang 2021 by showing that in a proper learning setup, Strongly Adaptive algorithms can achieve the near optimal dynamic regret of $\tilde O(d^{1/3} n^{1/3}\text{TV}[u_{1:n}]^{2/3} \vee d)$ against any comparator sequence $u_1,\ldots,u_n$ simultaneously, where $n$ is the time horizon and $\text{TV}[u_{1:n}]$ is the Total Variation of comparator. These results are facilitated by exploiting a number of new structures imposed by the KKT conditions that were not considered in Baby and Wang 2021 which also lead to other improvements over their results such as: (a) handling non-smooth losses and (b) improving the dimension dependence on regret. Further, we also derive near optimal dynamic regret rates for the special case of proper online learning with exp-concave losses and an $L_\infty$ constrained decision set.
Universal Online Learning with Unbounded Losses: Memory Is All You Need
Authors: Moise Blanchard, Romain Cosson, Steve Hanneke
Date: 2022-01-21 00:00:00
Tasks: All, Learning Theory, Memorization

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.
Reinforcement Learning for Personalized Drug Discovery and Design for Complex Diseases: A Systems Pharmacology Perspective
Authors: Ryan K. Tan, Yang Liu, Lei Xie
Date: 2022-01-21 00:00:00
Tasks: Drug Design, Drug Discovery, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Many multi-genic systemic diseases such as neurological disorders, inflammatory diseases, and the majority of cancers do not have effective treatments yet. Reinforcement learning powered systems pharmacology is a potentially effective approach to design personalized therapies for untreatable complex diseases. In this survey, state-of-the-art reinforcement learning methods and their latest applications to drug design are reviewed. The challenges on harnessing reinforcement learning for systems pharmacology and personalized medicine are discussed. Potential solutions to overcome the challenges are proposed. In spite of successful application of advanced reinforcement learning techniques to target-based drug discovery, new reinforcement learning strategies are needed to address systems pharmacology-oriented personalized de novo drug design.
Classical Simulation of Variational Quantum Classifiers using Tensor Rings
Authors: Dheeraj Peddireddy, Vipul Bansal, Vaneet Aggarwal
Date: 2022-01-21 00:00:00
Tasks: BIG-bench Machine Learning, Combinatorial Optimization, Quantum Machine Learning

In recent times, Variational Quantum Circuits (VQC) have been widely adopted to different tasks in machine learning such as Combinatorial Optimization and Supervised Learning. With the growing interest, it is pertinent to study the boundaries of the classical simulation of VQCs to effectively benchmark the algorithms. Classically simulating VQCs can also provide the quantum algorithms with a better initialization reducing the amount of quantum resources needed to train the algorithm. This manuscript proposes an algorithm that compresses the quantum state within a circuit using a tensor ring representation which allows for the implementation of VQC based algorithms on a classical simulator at a fraction of the usual storage and computational complexity. Using the tensor ring approximation of the input quantum state, we propose a method that applies the parametrized unitary operations while retaining the low-rank structure of the tensor ring corresponding to the transformed quantum state, providing an exponential improvement of storage and computational time in the number of qubits and layers. This approximation is used to implement the tensor ring VQC for the task of supervised learning on Iris and MNIST datasets to demonstrate the comparable performance as that of the implementations from classical simulator using Matrix Product States.
Variational Autoencoder based Metamodeling for Multi-Objective Topology Optimization of Electrical Machines
Authors: Vivek Parekh, Dominik Flore, Sebastian Schöps
Date: 2022-01-21 00:00:00
Tasks: Decoder

Conventional magneto-static finite element analysis of electrical machine design is time-consuming and computationally expensive. Since each machine topology has a distinct set of parameters, design optimization is commonly performed independently. This paper presents a novel method for predicting Key Performance Indicators (KPIs) of differently parameterized electrical machine topologies at the same time by mapping a high dimensional integrated design parameters in a lower dimensional latent space using a variational autoencoder. After training, via a latent space, the decoder and multi-layer neural network will function as meta-models for sampling new designs and predicting associated KPIs, respectively. This enables parameter-based concurrent multi-topology optimization.
Stochastic normalizing flows as non-equilibrium transformations
Authors: Michele Caselle, Elia Cellini, Alessandro Nada, Marco Panero
Date: 2022-01-21 00:00:00

Normalizing flows are a class of deep generative models that provide a promising route to sample lattice field theories more efficiently than conventional Monte Carlo simulations. In this work we show that the theoretical framework of stochastic normalizing flows, in which neural-network layers are combined with Monte Carlo updates, is the same that underlies out-of-equilibrium simulations based on Jarzynski's equality, which have been recently deployed to compute free-energy differences in lattice gauge theories. We lay out a strategy to optimize the efficiency of this extended class of generative models and present examples of applications.