pwc-archive/papers-with-abstracts huggingface dataset:
Ensemble Spectral Prediction (ESP) Model for Metabolite Annotation
Authors: Xinmeng Li, Hao Zhu, Li-Ping Liu, Soha Hassoun
Date: 2022-03-25 00:00:00
Tasks: model, Prediction

A key challenge in metabolomics is annotating measured spectra from a biological sample with chemical identities. Currently, only a small fraction of measurements can be assigned identities. Two complementary computational approaches have emerged to address the annotation problem: mapping candidate molecules to spectra, and mapping query spectra to molecular candidates. In essence, the candidate molecule with the spectrum that best explains the query spectrum is recommended as the target molecule. Despite candidate ranking being fundamental in both approaches, no prior works utilized rank learning tasks in determining the target molecule. We propose a novel machine learning model, Ensemble Spectral Prediction (ESP), for metabolite annotation. ESP takes advantage of prior neural network-based annotation models that utilize multilayer perceptron (MLP) networks and Graph Neural Networks (GNNs). Based on the ranking results of the MLP and GNN-based models, ESP learns a weighting for the outputs of MLP and GNN spectral predictors to generate a spectral prediction for a query molecule. Importantly, training data is stratified by molecular formula to provide candidate sets during model training. Further, baseline MLP and GNN models are enhanced by considering peak dependencies through multi-head attention mechanism and multi-tasking on spectral topic distributions. ESP improves average rank by 41% and 30% over the MLP and GNN baselines, respectively, demonstrating remarkable performance gain over state-of-the-art neural network approaches. We show that annotation performance, for ESP and other models, is a strong function of the number of molecules in the candidate set and their similarity to the target molecule.
FLUTE: A Scalable, Extensible Framework for High-Performance Federated Learning Simulations
Authors: Mirian Hipolito Garcia, Andre Manoel, Daniel Madrigal Diaz, FatemehSadat Mireshghallah, Robert Sim, Dimitrios Dimitriadis
Date: 2022-03-25 00:00:00
Tasks: Federated Learning, Quantization, speech-recognition, Speech Recognition, Vocal Bursts Intensity Prediction

In this paper we introduce "Federated Learning Utilities and Tools for Experimentation" (FLUTE), a high-performance open-source platform for federated learning research and offline simulations. The goal of FLUTE is to enable rapid prototyping and simulation of new federated learning algorithms at scale, including novel optimization, privacy, and communications strategies. We describe the architecture of FLUTE, enabling arbitrary federated modeling schemes to be realized. We compare the platform with other state-of-the-art platforms and describe available features of FLUTE for experimentation in core areas of active research, such as optimization, privacy, and scalability. A comparison with other established platforms shows speed-ups of up to 42x and savings in memory footprint of 3x. A sample of the platform capabilities is also presented for a range of tasks, as well as other functionality, such as linear scaling for the number of participating clients, and a variety of federated optimizers, including FedAdam, DGA, etcetera.
Feature Selection on Quantum Computers
Authors: Sascha Mücke, Raoul Heese, Sabine Müller, Moritz Wolter, Nico Piatkowski
Date: 2022-03-24 00:00:00
Tasks: feature selection

In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a quadratic unconstrained binary optimization (QUBO) problem, which allows to select a specified number of features based on their importance and redundancy. In contrast to iterative or greedy methods, our direct approach yields higherquality solutions. QUBO problems are particularly interesting because they can be solved on quantum hardware. To evaluate our proposed algorithm, we conduct a series of numerical experiments using a classical computer, a quantum gate computer and a quantum annealer. Our evaluation compares our method to a range of standard methods on various benchmark datasets. We observe competitive performance.
Shoring Up the Foundations: Fusing Model Embeddings and Weak Supervision
Authors: Mayee F. Chen, Daniel Y. Fu, Dyah Adila, Michael Zhang, Frederic Sala, Kayvon Fatahalian, Christopher Ré
Date: 2022-03-24 00:00:00

Foundation models offer an exciting new paradigm for constructing models with out-of-the-box embeddings and a few labeled examples. However, it is not clear how to best apply foundation models without labeled data. A potential approach is to fuse foundation models with weak supervision frameworks, which use weak label sources -- pre-trained models, heuristics, crowd-workers -- to construct pseudolabels. The challenge is building a combination that best exploits the signal available in both foundation models and weak sources. We propose Liger, a combination that uses foundation model embeddings to improve two crucial elements of existing weak supervision techniques. First, we produce finer estimates of weak source quality by partitioning the embedding space and learning per-part source accuracies. Second, we improve source coverage by extending source votes in embedding space. Despite the black-box nature of foundation models, we prove results characterizing how our approach improves performance and show that lift scales with the smoothness of label distributions in embedding space. On six benchmark NLP and video tasks, Liger outperforms vanilla weak supervision by 14.1 points, weakly-supervised kNN and adapters by 11.8 points, and kNN and adapters supervised by traditional hand labels by 7.2 points.
Local optimisation of Nyström samples through stochastic gradient descent
Authors: Matthew Hutchings, Bertrand Gauthier
Date: 2022-03-24 00:00:00

We study a relaxed version of the column-sampling problem for the Nystr\"om approximation of kernel matrices, where approximations are defined from multisets of landmark points in the ambient space; such multisets are referred to as Nystr\"om samples. We consider an unweighted variation of the radial squared-kernel discrepancy (SKD) criterion as a surrogate for the classical criteria used to assess the Nystr\"om approximation accuracy; in this setting, we discuss how Nystr\"om samples can be efficiently optimised through stochastic gradient descent. We perform numerical experiments which demonstrate that the local minimisation of the radial SKD yields Nystr\"om samples with improved Nystr\"om approximation accuracy.
Continuous-Time Audiovisual Fusion with Recurrence vs. Attention for In-The-Wild Affect Recognition
Authors: Vincent Karas, Mani Kumar Tellamekala, Adria Mallol-Ragolta, Michel Valstar, Björn W. Schuller
Date: 2022-03-24 00:00:00
Tasks: Arousal Estimation, Emotion Recognition, Multimodal Emotion Recognition

In this paper, we present our submission to 3rd Affective Behavior Analysis in-the-wild (ABAW) challenge. Learningcomplex interactions among multimodal sequences is critical to recognise dimensional affect from in-the-wild audiovisual data. Recurrence and attention are the two widely used sequence modelling mechanisms in the literature. To clearly understand the performance differences between recurrent and attention models in audiovisual affect recognition, we present a comprehensive evaluation of fusion models based on LSTM-RNNs, self-attention and cross-modal attention, trained for valence and arousal estimation. Particularly, we study the impact of some key design choices: the modelling complexity of CNN backbones that provide features to the the temporal models, with and without end-to-end learning. We trained the audiovisual affect recognition models on in-the-wild ABAW corpus by systematically tuning the hyper-parameters involved in the network architecture design and training optimisation. Our extensive evaluation of the audiovisual fusion models shows that LSTM-RNNs can outperform the attention models when coupled with low-complex CNN backbones and trained in an end-to-end fashion, implying that attention models may not necessarily be the optimal choice for continuous-time multimodal emotion recognition.
Human Gait Recognition Using Bag of Words Feature Representation Method
Authors: Nasrin Bayat, Elham Rastegari, QiFeng Li
Date: 2022-03-24 00:00:00
Tasks: Gait Recognition

In this paper, we propose a novel gait recognition method based on a bag-of-words feature representation method. The algorithm is trained, tested and evaluated on a unique human gait data consisting of 93 individuals who walked with comfortable pace between two end points during two different sessions. To evaluate the effectiveness of the proposed model, the results are compared with the outputs of the classification using extracted features. As it is presented, the proposed method results in significant improvement accuracy compared to using common statistical features, in all the used classifiers.
Deep reinforcement learning for optimal well control in subsurface systems with uncertain geology
Authors: Yusuf Nasir, Louis J. Durlofsky
Date: 2022-03-24 00:00:00
Tasks: Decision Making, Deep Reinforcement Learning, Management, Reinforcement Learning (RL)

A general control policy framework based on deep reinforcement learning (DRL) is introduced for closed-loop decision making in subsurface flow settings. Traditional closed-loop modeling workflows in this context involve the repeated application of data assimilation/history matching and robust optimization steps. Data assimilation can be particularly challenging in cases where both the geological style (scenario) and individual model realizations are uncertain. The closed-loop reservoir management (CLRM) problem is formulated here as a partially observable Markov decision process, with the associated optimization problem solved using a proximal policy optimization algorithm. This provides a control policy that instantaneously maps flow data observed at wells (as are available in practice) to optimal well pressure settings. The policy is represented by a temporal convolution and gated transformer blocks. Training is performed in a preprocessing step with an ensemble of prior geological models, which can be drawn from multiple geological scenarios. Example cases involving the production of oil via water injection, with both 2D and 3D geological models, are presented. The DRL-based methodology is shown to result in an NPV increase of 15% (for the 2D cases) and 33% (3D cases) relative to robust optimization over prior models, and to an average improvement of 4% in NPV relative to traditional CLRM. The solutions from the control policy are found to be comparable to those from deterministic optimization, in which the geological model is assumed to be known, even when multiple geological scenarios are considered. The control policy approach results in a 76% decrease in computational cost relative to traditional CLRM with the algorithms and parameter settings considered in this work.
Statistic Selection and MCMC for Differentially Private Bayesian Estimation
Authors: Baris Alparslan, Sinan Yildirim
Date: 2022-03-24 00:00:00
Tasks: Bayesian Inference

This paper concerns differentially private Bayesian estimation of the parameters of a population distribution, when a statistic of a sample from that population is shared in noise to provide differential privacy. This work mainly addresses two problems: (1) What statistic of the sample should be shared privately? For the first question, i.e., the one about statistic selection, we promote using the Fisher information. We find out that, the statistic that is most informative in a non-privacy setting may not be the optimal choice under the privacy restrictions. We provide several examples to support that point. We consider several types of data sharing settings and propose several Monte Carlo-based numerical estimation methods for calculating the Fisher information for those settings. The second question concerns inference: (2) Based on the shared statistics, how could we perform effective Bayesian inference? We propose several Markov chain Monte Carlo (MCMC) algorithms for sampling from the posterior distribution of the parameter given the noisy statistic. The proposed MCMC algorithms can be preferred over one another depending on the problem. For example, when the shared statistics is additive and added Gaussian noise, a simple Metropolis-Hasting algorithm that utilizes the central limit theorem is a decent choice. We propose more advanced MCMC algorithms for several other cases of practical relevance. Our numerical examples involve comparing several candidate statistics to be shared privately. For each statistic, we perform Bayesian estimation based on the posterior distribution conditional on the privatized version of that statistic. We demonstrate that, the relative performance of a statistic, in terms of the mean squared error of the Bayesian estimator based on the corresponding privatized statistic, is adequately predicted by the Fisher information of the privatized statistic.
Email Summarization to Assist Users in Phishing Identification
Authors: Amir Kashapov, Tingmin Wu, Alsharif Abuadbba, Carsten Rudolph
Date: 2022-03-24 00:00:00

Cyber-phishing attacks recently became more precise, targeted, and tailored by training data to activate only in the presence of specific information or cues. They are adaptable to a much greater extent than traditional phishing detection. Hence, automated detection systems cannot always be 100% accurate, increasing the uncertainty around expected behavior when faced with a potential phishing email. On the other hand, human-centric defence approaches focus extensively on user training but face the difficulty of keeping users up to date with continuously emerging patterns. Therefore, advances in analyzing the content of an email in novel ways along with summarizing the most pertinent content to the recipients of emails is a prospective gateway to furthering how to combat these threats. Addressing this gap, this work leverages transformer-based machine learning to (i) analyze prospective psychological triggers, to (ii) detect possible malicious intent, and (iii) create representative summaries of emails. We then amalgamate this information and present it to the user to allow them to (i) easily decide whether the email is "phishy" and (ii) self-learn advanced malicious patterns.
Reshaping Robot Trajectories Using Natural Language Commands: A Study of Multi-Modal Data Alignment Using Transformers
Authors: Arthur Bucker, Luis Figueredo, Sami Haddadin, Ashish Kapoor, Shuang Ma, Rogerio Bonatti
Date: 2022-03-25 00:00:00
Tasks: Imitation Learning, Text Generation

Natural language is the most intuitive medium for us to interact with other people when expressing commands and instructions. However, using language is seldom an easy task when humans need to express their intent towards robots, since most of the current language interfaces require rigid templates with a static set of action targets and commands. In this work, we provide a flexible language-based interface for human-robot collaboration, which allows a user to reshape existing trajectories for an autonomous agent. We take advantage of recent advancements in the field of large language models (BERT and CLIP) to encode the user command, and then combine these features with trajectory information using multi-modal attention transformers. We train the model using imitation learning over a dataset containing robot trajectories modified by language commands, and treat the trajectory generation process as a sequence prediction problem, analogously to how language generation architectures operate. We evaluate the system in multiple simulated trajectory scenarios, and show a significant performance increase of our model over baseline approaches. In addition, our real-world experiments with a robot arm show that users significantly prefer our natural language interface over traditional methods such as kinesthetic teaching or cost-function programming. Our study shows how the field of robotics can take advantage of large pre-trained language models towards creating more intuitive interfaces between robots and machines. Project webpage: https://arthurfenderbucker.github.io/NL_trajectory_reshaper/
Amortized Projection Optimization for Sliced Wasserstein Generative Models
Authors: Khai Nguyen, Nhat Ho
Date: 2022-03-25 00:00:00

Seeking informative projecting directions has been an important task in utilizing sliced Wasserstein distance in applications. However, finding these directions usually requires an iterative optimization procedure over the space of projecting directions, which is computationally expensive. Moreover, the computational issue is even more severe in deep learning applications, where computing the distance between two mini-batch probability measures is repeated several times. This nested loop has been one of the main challenges that prevent the usage of sliced Wasserstein distances based on good projections in practice. To address this challenge, we propose to utilize the learning-to-optimize technique or amortized optimization to predict the informative direction of any given two mini-batch probability measures. To the best of our knowledge, this is the first work that bridges amortized optimization and sliced Wasserstein generative models. In particular, we derive linear amortized models, generalized linear amortized models, and non-linear amortized models which are corresponding to three types of novel mini-batch losses, named amortized sliced Wasserstein. We demonstrate the favorable performance of the proposed sliced losses in deep generative modeling on standard benchmark datasets.
Risk-Aware Off-Road Navigation via a Learned Speed Distribution Map
Authors: Xiaoyi Cai, Michael Everett, Jonathan Fink, Jonathan P. How
Date: 2022-03-25 00:00:00
Tasks: Motion Planning, Unity

Motion planning in off-road environments requires reasoning about both the geometry and semantics of the scene (e.g., a robot may be able to drive through soft bushes but not a fallen log). In many recent works, the world is classified into a finite number of semantic categories that often are not sufficient to capture the ability (i.e., the speed) with which a robot can traverse off-road terrain. Instead, this work proposes a new representation of traversability based exclusively on robot speed that can be learned from data, offers interpretability and intuitive tuning, and can be easily integrated with a variety of planning paradigms in the form of a costmap. Specifically, given a dataset of experienced trajectories, the proposed algorithm learns to predict a distribution of speeds the robot could achieve, conditioned on the environment semantics and commanded speed. The learned speed distribution map is converted into costmaps with a risk-aware cost term based on conditional value at risk (CVaR). Numerical simulations demonstrate that the proposed risk-aware planning algorithm leads to faster average time-to-goals compared to a method that only considers expected behavior, and the planner can be tuned for slightly slower, but less variable behavior. Furthermore, the approach is integrated into a full autonomy stack and demonstrated in a high-fidelity Unity environment and is shown to provide a 30\% improvement in the success rate of navigation.
3D GAN Inversion for Controllable Portrait Image Animation
Authors: Connor Z. Lin, David B. Lindell, Eric R. Chan, Gordon Wetzstein
Date: 2022-03-25 00:00:00
Tasks: Attribute, Generative Adversarial Network, Image Animation, Pose Transfer

Millions of images of human faces are captured every single day; but these photographs portray the likeness of an individual with a fixed pose, expression, and appearance. Portrait image animation enables the post-capture adjustment of these attributes from a single image while maintaining a photorealistic reconstruction of the subject's likeness or identity. Still, current methods for portrait image animation are typically based on 2D warping operations or manipulations of a 2D generative adversarial network (GAN) and lack explicit mechanisms to enforce multi-view consistency. Thus these methods may significantly alter the identity of the subject, especially when the viewpoint relative to the camera is changed. In this work, we leverage newly developed 3D GANs, which allow explicit control over the pose of the image subject with multi-view consistency. We propose a supervision strategy to flexibly manipulate expressions with 3D morphable models, and we show that the proposed method also supports editing appearance attributes, such as age or hairstyle, by interpolating within the latent space of the GAN. The proposed technique for portrait image animation outperforms previous methods in terms of image quality, identity preservation, and pose transfer while also supporting attribute editing.
Randomized Policy Optimization for Optimal Stopping
Authors: Xinyi Guan, Velibor V. Mišić
Date: 2022-03-25 00:00:00
Tasks: Management

Optimal stopping is the problem of determining when to stop a stochastic system in order to maximize reward, which is of practical importance in domains such as finance, operations management and healthcare. Existing methods for high-dimensional optimal stopping that are popular in practice produce deterministic linear policies -- policies that deterministically stop based on the sign of a weighted sum of basis functions -- but are not guaranteed to find the optimal policy within this policy class given a fixed basis function architecture. In this paper, we propose a new methodology for optimal stopping based on randomized linear policies, which choose to stop with a probability that is determined by a weighted sum of basis functions. We motivate these policies by establishing that under mild conditions, given a fixed basis function architecture, optimizing over randomized linear policies is equivalent to optimizing over deterministic linear policies. We formulate the problem of learning randomized linear policies from data as a smooth non-convex sample average approximation (SAA) problem. We theoretically prove the almost sure convergence of our randomized policy SAA problem and establish bounds on the out-of-sample performance of randomized policies obtained from our SAA problem based on Rademacher complexity. We also show that the SAA problem is in general NP-Hard, and consequently develop a practical heuristic for solving our randomized policy problem. Through numerical experiments on a benchmark family of option pricing problem instances, we show that our approach can substantially outperform state-of-the-art methods.