pwc-archive/papers-with-abstracts huggingface dataset:
Music Mixing Style Transfer: A Contrastive Learning Approach to Disentangle Audio Effects
Authors: Junghyun Koo, Marco A. Martínez-Ramírez, Wei-Hsiang Liao, Stefan Uhlich, Kyogu Lee, Yuki Mitsufuji
Date: 2022-11-04 00:00:00
Tasks: Contrastive Learning, Disentanglement, Music Source Separation, Style Transfer

We propose an end-to-end music mixing style transfer system that converts the mixing style of an input multitrack to that of a reference song. This is achieved with an encoder pre-trained with a contrastive objective to extract only audio effects related information from a reference music recording. All our models are trained in a self-supervised manner from an already-processed wet multitrack dataset with an effective data preprocessing method that alleviates the data scarcity of obtaining unprocessed dry data. We analyze the proposed encoder for the disentanglement capability of audio effects and also validate its performance for mixing style transfer through both objective and subjective evaluations. From the results, we show the proposed system not only converts the mixing style of multitrack audio close to a reference but is also robust with mixture-wise style transfer upon using a music source separation model.
Materials Property Prediction with Uncertainty Quantification: A Benchmark Study
Authors: Daniel Varivoda, Rongzhi Dong, Sadman Sadeed Omee, Jianjun Hu
Date: 2022-11-04 00:00:00
Tasks: Active Learning, Band Gap, Formation Energy, Graph Neural Network, Prediction, Property Prediction, Uncertainty Quantification

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new training data from uncertain regions. There are several categories of UQ methods each considering different types of uncertainty sources. Here we conduct a comprehensive evaluation on the UQ methods for graph neural network based materials property prediction and evaluate how they truly reflect the uncertainty that we want in error bound estimation or active learning. Our experimental results over four crystal materials datasets (including formation energy, adsorption energy, total energy, and band gap properties) show that the popular ensemble methods for uncertainty estimation is NOT the best choice for UQ in materials property prediction. For the convenience of the community, all the source code and data sets can be accessed freely at \url{https://github.com/usccolumbia/materialsUQ}.
A Latent Space Model for HLA Compatibility Networks in Kidney Transplantation
Authors: Zhipeng Huang, Kevin S. Xu
Date: 2022-11-04 00:00:00
Tasks: Survival Analysis

Kidney transplantation is the preferred treatment for people suffering from end-stage renal disease. Successful kidney transplants still fail over time, known as graft failure; however, the time to graft failure, or graft survival time, can vary significantly between different recipients. A significant biological factor affecting graft survival times is the compatibility between the human leukocyte antigens (HLAs) of the donor and recipient. We propose to model HLA compatibility using a network, where the nodes denote different HLAs of the donor and recipient, and edge weights denote compatibilities of the HLAs, which can be positive or negative. The network is indirectly observed, as the edge weights are estimated from transplant outcomes rather than directly observed. We propose a latent space model for such indirectly-observed weighted and signed networks. We demonstrate that our latent space model can not only result in more accurate estimates of HLA compatibilities, but can also be incorporated into survival analysis models to improve accuracy for the downstream task of predicting graft survival times.
Adversarial Defense via Neural Oscillation inspired Gradient Masking
Authors: Chunming Jiang, Yilei Zhang
Date: 2022-11-04 00:00:00
Tasks: Adversarial Defense

Spiking neural networks (SNNs) attract great attention due to their low power consumption, low latency, and biological plausibility. As they are widely deployed in neuromorphic devices for low-power brain-inspired computing, security issues become increasingly important. However, compared to deep neural networks (DNNs), SNNs currently lack specifically designed defense methods against adversarial attacks. Inspired by neural membrane potential oscillation, we propose a novel neural model that incorporates the bio-inspired oscillation mechanism to enhance the security of SNNs. Our experiments show that SNNs with neural oscillation neurons have better resistance to adversarial attacks than ordinary SNNs with LIF neurons on kinds of architectures and datasets. Furthermore, we propose a defense method that changes model's gradients by replacing the form of oscillation, which hides the original training gradients and confuses the attacker into using gradients of 'fake' neurons to generate invalid adversarial samples. Our experiments suggest that the proposed defense method can effectively resist both single-step and iterative attacks with comparable defense effectiveness and much less computational costs than adversarial training methods on DNNs. To the best of our knowledge, this is the first work that establishes adversarial defense through masking surrogate gradients on SNNs.
The Benefits of Model-Based Generalization in Reinforcement Learning
Authors: Kenny Young, Aditya Ramesh, Louis Kirsch, Jürgen Schmidhuber
Date: 2022-11-04 00:00:00
Tasks: Model-based Reinforcement Learning, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Model-Based Reinforcement Learning (RL) is widely believed to have the potential to improve sample efficiency by allowing an agent to synthesize large amounts of imagined experience. Experience Replay (ER) can be considered a simple kind of model, which has proved effective at improving the stability and efficiency of deep RL. In principle, a learned parametric model could improve on ER by generalizing from real experience to augment the dataset with additional plausible experience. However, given that learned value functions can also generalize, it is not immediately obvious why model generalization should be better. Here, we provide theoretical and empirical insight into when, and how, we can expect data generated by a learned model to be useful. First, we provide a simple theorem motivating how learning a model as an intermediate step can narrow down the set of possible value functions more than learning a value function directly from data using the Bellman equation. Second, we provide an illustrative example showing empirically how a similar effect occurs in a more concrete setting with neural network function approximation. Finally, we provide extensive experiments showing the benefit of model-based learning for online RL in environments with combinatorial complexity, but factored structure that allows a learned model to generalize. In these experiments, we take care to control for other factors in order to isolate, insofar as possible, the benefit of using experience generated by a learned model relative to ER alone.
Fully Bayesian inference for latent variable Gaussian process models
Authors: Suraj Yerramilli, Akshay Iyer, Wei Chen, Daniel W. Apley
Date: 2022-11-04 00:00:00
Tasks: Bayesian Inference, Gaussian Processes, Uncertainty Quantification

Real engineering and scientific applications often involve one or more qualitative inputs. Standard Gaussian processes (GPs), however, cannot directly accommodate qualitative inputs. The recently introduced latent variable Gaussian process (LVGP) overcomes this issue by first mapping each qualitative factor to underlying latent variables (LVs), and then uses any standard GP covariance function over these LVs. The LVs are estimated similarly to the other GP hyperparameters through maximum likelihood estimation, and then plugged into the prediction expressions. However, this plug-in approach will not account for uncertainty in estimation of the LVs, which can be significant especially with limited training data. In this work, we develop a fully Bayesian approach for the LVGP model and for visualizing the effects of the qualitative inputs via their LVs. We also develop approximations for scaling up LVGPs and fully Bayesian inference for the LVGP hyperparameters. We conduct numerical studies comparing plug-in inference against fully Bayesian inference over a few engineering models and material design applications. In contrast to previous studies on standard GP modeling that have largely concluded that a fully Bayesian treatment offers limited improvements, our results show that for LVGP modeling it offers significant improvements in prediction accuracy and uncertainty quantification over the plug-in approach.
Distributed Linear Bandits under Communication Constraints
Authors: Sudeep Salgia, Qing Zhao
Date: 2022-11-04 00:00:00

We consider distributed linear bandits where $M$ agents learn collaboratively to minimize the overall cumulative regret incurred by all agents. Information exchange is facilitated by a central server, and both the uplink and downlink communications are carried over channels with fixed capacity, which limits the amount of information that can be transmitted in each use of the channels. We investigate the regret-communication trade-off by (i) establishing information-theoretic lower bounds on the required communications (in terms of bits) for achieving a sublinear regret order; (ii) developing an efficient algorithm that achieves the minimum sublinear regret order offered by centralized learning using the minimum order of communications dictated by the information-theoretic lower bounds. For sparse linear bandits, we show a variant of the proposed algorithm offers better regret-communication trade-off by leveraging the sparsity of the problem.
Learning Tool Morphology for Contact-Rich Manipulation Tasks with Differentiable Simulation
Authors: Mengxi Li, Rika Antonova, Dorsa Sadigh, Jeannette Bohg
Date: 2022-11-04 00:00:00
Tasks: Contact-rich Manipulation, Continual Learning

When humans perform contact-rich manipulation tasks, customized tools are often necessary to simplify the task. For instance, we use various utensils for handling food, such as knives, forks and spoons. Similarly, robots may benefit from specialized tools that enable them to more easily complete a variety of tasks. We present an end-to-end framework to automatically learn tool morphology for contact-rich manipulation tasks by leveraging differentiable physics simulators. Previous work relied on manually constructed priors requiring detailed specification of a 3D object model, grasp pose and task description to facilitate the search or optimization process. Our approach only requires defining the objective with respect to task performance and enables learning a robust morphology through randomizing variations of the task. We make this optimization tractable by casting it as a continual learning problem. We demonstrate the effectiveness of our method for designing new tools in several scenarios, such as winding ropes, flipping a box and pushing peas onto a scoop in simulation. Additionally, experiments with real robots show that the tool shapes discovered by our method help them succeed in these scenarios.
Learning to Rank Graph-based Application Objects on Heterogeneous Memories
Authors: Diego Moura, Vinicius Petrucci, Daniel Mosse
Date: 2022-11-04 00:00:00
Tasks: Learning-To-Rank

Persistent Memory (PMEM), also known as Non-Volatile Memory (NVM), can deliver higher density and lower cost per bit when compared with DRAM. Its main drawback is that it is typically slower than DRAM. On the other hand, DRAM has scalability problems due to its cost and energy consumption. Soon, PMEM will likely coexist with DRAM in computer systems but the biggest challenge is to know which data to allocate on each type of memory. This paper describes a methodology for identifying and characterizing application objects that have the most influence on the application's performance using Intel Optane DC Persistent Memory. In the first part of our work, we built a tool that automates the profiling and analysis of application objects. In the second part, we build a machine learning model to predict the most critical object within large-scale graph-based applications. Our results show that using isolated features does not bring the same benefit compared to using a carefully chosen set of features. By performing data placement using our predictive model, we can reduce the execution time degradation by 12\% (average) and 30\% (max) when compared to the baseline's approach based on LLC misses indicator.
MUSTACHE: Multi-Step-Ahead Predictions for Cache Eviction
Authors: Gabriele Tolomei, Lorenzo Takanen, Fabio Pinelli
Date: 2022-11-03 00:00:00
Tasks: Time Series, Time Series Analysis, Time Series Forecasting

In this work, we propose MUSTACHE, a new page cache replacement algorithm whose logic is learned from observed memory access requests rather than fixed like existing policies. We formulate the page request prediction problem as a categorical time series forecasting task. Then, our method queries the learned page request forecaster to obtain the next $k$ predicted page memory references to better approximate the optimal B\'el\'ady's replacement algorithm. We implement several forecasting techniques using advanced deep learning architectures and integrate the best-performing one into an existing open-source cache simulator. Experiments run on benchmark datasets show that MUSTACHE outperforms the best page replacement heuristic (i.e., exact LRU), improving the cache hit ratio by 1.9% and reducing the number of reads/writes required to handle cache misses by 18.4% and 10.3%.
Can RBMs be trained with zero step contrastive divergence?
Authors: Charles K. Fisher
Date: 2022-11-03 00:00:00

Restricted Boltzmann Machines (RBMs) are probabilistic generative models that can be trained by maximum likelihood in principle, but are usually trained by an approximate algorithm called Contrastive Divergence (CD) in practice. In general, a CD-k algorithm estimates an average with respect to the model distribution using a sample obtained from a k-step Markov Chain Monte Carlo Algorithm (e.g., block Gibbs sampling) starting from some initial configuration. Choices of k typically vary from 1 to 100. This technical report explores if it's possible to leverage a simple approximate sampling algorithm with a modified version of CD in order to train an RBM with k=0. As usual, the method is illustrated on MNIST.
A $k$-additive Choquet integral-based approach to approximate the SHAP values for local interpretability in machine learning
Authors: Guilherme Dean Pelegrina, Leonardo Tomazeli Duarte, Michel Grabisch
Date: 2022-11-03 00:00:00

Besides accuracy, recent studies on machine learning models have been addressing the question on how the obtained results can be interpreted. Indeed, while complex machine learning models are able to provide very good results in terms of accuracy even in challenging applications, it is difficult to interpret them. Aiming at providing some interpretability for such models, one of the most famous methods, called SHAP, borrows the Shapley value concept from game theory in order to locally explain the predicted outcome of an instance of interest. As the SHAP values calculation needs previous computations on all possible coalitions of attributes, its computational cost can be very high. Therefore, a SHAP-based method called Kernel SHAP adopts an efficient strategy that approximate such values with less computational effort. In this paper, we also address local interpretability in machine learning based on Shapley values. Firstly, we provide a straightforward formulation of a SHAP-based method for local interpretability by using the Choquet integral, which leads to both Shapley values and Shapley interaction indices. Moreover, we also adopt the concept of $k$-additive games from game theory, which contributes to reduce the computational effort when estimating the SHAP values. The obtained results attest that our proposal needs less computations on coalitions of attributes to approximate the SHAP values.
A Riemannian ADMM
Authors: Jiaxiang Li, Shiqian Ma, Tejes Srivastava
Date: 2022-11-03 00:00:00
Tasks: Dictionary Learning, Riemannian optimization

We consider a class of Riemannian optimization problems where the objective is the sum of a smooth function and a nonsmooth function, considered in the ambient space. This class of problems finds important applications in machine learning and statistics such as the sparse principal component analysis, sparse spectral clustering, and orthogonal dictionary learning. We propose a Riemannian alternating direction method of multipliers (ADMM) to solve this class of problems. Our algorithm adopts easily computable steps in each iteration. The iteration complexity of the proposed algorithm for obtaining an $\epsilon$-stationary point is analyzed under mild assumptions. Existing ADMM for solving nonconvex problems either does not allow nonconvex constraint set, or does not allow nonsmooth objective function. Our algorithm is the first ADMM type algorithm that minimizes a nonsmooth objective over manifold -- a particular nonconvex set. Numerical experiments are conducted to demonstrate the advantage of the proposed method.
Privacy-preserving Deep Learning based Record Linkage
Authors: Thilina Ranbaduge, Dinusha Vatsalan, Ming Ding
Date: 2022-11-03 00:00:00
Tasks: Data Integration, Deep Learning, Privacy Preserving, Privacy Preserving Deep Learning

Deep learning-based linkage of records across different databases is becoming increasingly useful in data integration and mining applications to discover new insights from multiple sources of data. However, due to privacy and confidentiality concerns, organisations often are not willing or allowed to share their sensitive data with any external parties, thus making it challenging to build/train deep learning models for record linkage across different organizations' databases. To overcome this limitation, we propose the first deep learning-based multi-party privacy-preserving record linkage (PPRL) protocol that can be used to link sensitive databases held by multiple different organisations. In our approach, each database owner first trains a local deep learning model, which is then uploaded to a secure environment and securely aggregated to create a global model. The global model is then used by a linkage unit to distinguish unlabelled record pairs as matches and non-matches. We utilise differential privacy to achieve provable privacy protection against re-identification attacks. We evaluate the linkage quality and scalability of our approach using several large real-world databases, showing that it can achieve high linkage quality while providing sufficient privacy protection against existing attacks.
A Survey on Reinforcement Learning in Aviation Applications
Authors: Pouria Razzaghi, Amin Tabrizian, Wei Guo, Shulu Chen, Abenezer Taye, Ellis Thompson, Alexis Bregeon, Ali Baheri, Peng Wei
Date: 2022-11-03 00:00:00
Tasks: Decision Making, reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Sequential Decision Making, Survey

Compared with model-based control and optimization methods, reinforcement learning (RL) provides a data-driven, learning-based framework to formulate and solve sequential decision-making problems. The RL framework has become promising due to largely improved data availability and computing power in the aviation industry. Many aviation-based applications can be formulated or treated as sequential decision-making problems. Some of them are offline planning problems, while others need to be solved online and are safety-critical. In this survey paper, we first describe standard RL formulations and solutions. Then we survey the landscape of existing RL-based applications in aviation. Finally, we summarize the paper, identify the technical gaps, and suggest future directions of RL research in aviation.
Safe Real-World Autonomous Driving by Learning to Predict and Plan with a Mixture of Experts
Authors: Stefano Pini, Christian S. Perone, Aayush Ahuja, Ana Sofia Rufino Ferreira, Moritz Niendorf, Sergey Zagoruyko
Date: 2022-11-03 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Mixture-of-Experts, Navigate

The goal of autonomous vehicles is to navigate public roads safely and comfortably. To enforce safety, traditional planning approaches rely on handcrafted rules to generate trajectories. Machine learning-based systems, on the other hand, scale with data and are able to learn more complex behaviors. However, they often ignore that agents and self-driving vehicle trajectory distributions can be leveraged to improve safety. In this paper, we propose modeling a distribution over multiple future trajectories for both the self-driving vehicle and other road agents, using a unified neural network architecture for prediction and planning. During inference, we select the planning trajectory that minimizes a cost taking into account safety and the predicted probabilities. Our approach does not depend on any rule-based planners for trajectory generation or optimization, improves with more training data and is simple to implement. We extensively evaluate our method through a realistic simulator and show that the predicted trajectory distribution corresponds to different driving profiles. We also successfully deploy it on a self-driving vehicle on urban public roads, confirming that it drives safely without compromising comfort. The code for training and testing our model on a public prediction dataset and the video of the road test are available at https://woven.mobi/safepathnet
A 3D-Shape Similarity-based Contrastive Approach to Molecular Representation Learning
Authors: Austin Atsango, Nathaniel L. Diamant, Ziqing Lu, Tommaso Biancalani, Gabriele Scalia, Kangway V. Chuang
Date: 2022-11-03 00:00:00
Tasks: Contrastive Learning, Molecular Property Prediction, molecular representation, Property Prediction, Representation Learning

Molecular shape and geometry dictate key biophysical recognition processes, yet many graph neural networks disregard 3D information for molecular property prediction. Here, we propose a new contrastive-learning procedure for graph neural networks, Molecular Contrastive Learning from Shape Similarity (MolCLaSS), that implicitly learns a three-dimensional representation. Rather than directly encoding or targeting three-dimensional poses, MolCLaSS matches a similarity objective based on Gaussian overlays to learn a meaningful representation of molecular shape. We demonstrate how this framework naturally captures key aspects of three-dimensionality that two-dimensional representations cannot and provides an inductive framework for scaffold hopping.