pwc-archive/papers-with-abstracts huggingface dataset:
Variational Kalman Filtering with Hinf-Based Correction for Robust Bayesian Learning in High Dimensions
Authors: Niladri Das, Jed A. Duersch, Thomas A. Catanach
Date: 2022-04-27 00:00:00
Tasks: Variational Inference

In this paper, we address the problem of convergence of sequential variational inference filter (VIF) through the application of a robust variational objective and Hinf-norm based correction for a linear Gaussian system. As the dimension of state or parameter space grows, performing the full Kalman update with the dense covariance matrix for a large scale system requires increased storage and computational complexity, making it impractical. The VIF approach, based on mean-field Gaussian variational inference, reduces this burden through the variational approximation to the covariance usually in the form of a diagonal covariance approximation. The challenge is to retain convergence and correct for biases introduced by the sequential VIF steps. We desire a framework that improves feasibility while still maintaining reasonable proximity to the optimal Kalman filter as data is assimilated. To accomplish this goal, a Hinf-norm based optimization perturbs the VIF covariance matrix to improve robustness. This yields a novel VIF- Hinf recursion that employs consecutive variational inference and Hinf based optimization steps. We explore the development of this method and investigate a numerical example to illustrate the effectiveness of the proposed filter.
Faster online calibration without randomization: interval forecasts and the power of two choices
Authors: Chirag Gupta, Aaditya Ramdas
Date: 2022-04-27 00:00:00

We study the problem of making calibrated probabilistic forecasts for a binary sequence generated by an adversarial nature. Following the seminal paper of Foster and Vohra (1998), nature is often modeled as an adaptive adversary who sees all activity of the forecaster except the randomization that the forecaster may deploy. A number of papers have proposed randomized forecasting strategies that achieve an $\epsilon$-calibration error rate of $O(1/\sqrt{T})$, which we prove is tight in general. On the other hand, it is well known that it is not possible to be calibrated without randomization, or if nature also sees the forecaster's randomization; in both cases the calibration error could be $\Omega(1)$. Inspired by the equally seminal works on the "power of two choices" and imprecise probability theory, we study a small variant of the standard online calibration problem. The adversary gives the forecaster the option of making two nearby probabilistic forecasts, or equivalently an interval forecast of small width, and the endpoint closest to the revealed outcome is used to judge calibration. This power of two choices, or imprecise forecast, accords the forecaster with significant power -- we show that a faster $\epsilon$-calibration rate of $O(1/T)$ can be achieved even without deploying any randomization.
Can deep learning match the efficiency of human visual long-term memory in storing object details?
Authors: A. Emin Orhan
Date: 2022-04-27 00:00:00

Humans have a remarkably large capacity to store detailed visual information in long-term memory even after a single exposure, as demonstrated by classic experiments in psychology. For example, Standing (1973) showed that humans could recognize with high accuracy thousands of pictures that they had seen only once a few days prior to a recognition test. In deep learning, the primary mode of incorporating new information into a model is through gradient descent in the model's parameter space. This paper asks whether deep learning via gradient descent can match the efficiency of human visual long-term memory to incorporate new information in a rigorous, head-to-head, quantitative comparison. We answer this in the negative: even in the best case, models learning via gradient descent require approximately 10 exposures to the same visual materials in order to reach a recognition memory performance humans achieve after only a single exposure. Prior knowledge induced via pretraining and bigger model sizes improve performance, but these improvements are not very visible after a single exposure (it takes a few exposures for the improvements to become apparent), suggesting that simply scaling up the pretraining data size or model size might not be a feasible strategy to reach human-level memory efficiency.
TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs
Authors: Alex J. Li, Vikram Sundar, Gevorg Grigoryan, Amy E. Keating
Date: 2022-04-27 00:00:00
Tasks: Protein Design

Computational protein design has the potential to deliver novel molecular structures, binders, and catalysts for myriad applications. Recent neural graph-based models that use backbone coordinate-derived features show exceptional performance on native sequence recovery tasks and are promising frameworks for design. A statistical framework for modeling protein sequence landscapes using Tertiary Motifs (TERMs), compact units of recurring structure in proteins, has also demonstrated good performance on protein design tasks. In this work, we investigate the use of TERM-derived data as features in neural protein design frameworks. Our graph-based architecture, TERMinator, incorporates TERM-based and coordinate-based information and outputs a Potts model over sequence space. TERMinator outperforms state-of-the-art models on native sequence recovery tasks, suggesting that utilizing TERM-based and coordinate-based features together is beneficial for protein design.
Binding Actions to Objects in World Models
Authors: Ondrej Biza, Robert Platt, Jan-Willem van de Meent, Lawson L. S. Wong, Thomas Kipf
Date: 2022-04-27 00:00:00
Tasks: Hard Attention, Object

We study the problem of binding actions to objects in object-factored world models using action-attention mechanisms. We propose two attention mechanisms for binding actions to objects, soft attention and hard attention, which we evaluate in the context of structured world models for five environments. Our experiments show that hard attention helps contrastively-trained structured world models to learn to separate individual objects in an object-based grid-world environment. Further, we show that soft attention increases performance of factored world models trained on a robotic manipulation task. The learned action attention weights can be used to interpret the factored world model as the attention focuses on the manipulated object in the environment.
NLU++: A Multi-Label, Slot-Rich, Generalisable Dataset for Natural Language Understanding in Task-Oriented Dialogue
Authors: Iñigo Casanueva, Ivan Vulić, Georgios P. Spithourakis, Paweł Budzianowski
Date: 2022-04-27 00:00:00
Proceeding: Findings (NAACL) 2022 7
Tasks: Natural Language Understanding

We present NLU++, a novel dataset for natural language understanding (NLU) in task-oriented dialogue (ToD) systems, with the aim to provide a much more challenging evaluation environment for dialogue NLU models, up to date with the current application and industry requirements. NLU++ is divided into two domains (BANKING and HOTELS) and brings several crucial improvements over current commonly used NLU datasets. 1) NLU++ provides fine-grained domain ontologies with a large set of challenging multi-intent sentences, introducing and validating the idea of intent modules that can be combined into complex intents that convey complex user goals, combined with finer-grained and thus more challenging slot sets. 2) The ontology is divided into domain-specific and generic (i.e., domain-universal) intent modules that overlap across domains, promoting cross-domain reusability of annotated examples. 3) The dataset design has been inspired by the problems observed in industrial ToD systems, and 4) it has been collected, filtered and carefully annotated by dialogue NLU experts, yielding high-quality annotated data. Finally, we benchmark a series of current state-of-the-art NLU models on NLU++; the results demonstrate the challenging nature of the dataset, especially in low-data regimes, the validity of `intent modularisation', and call for further research on ToD NLU.
Multi-Objective Physics-Guided Recurrent Neural Networks for Identifying Non-Autonomous Dynamical Systems
Authors: Oliver Schön, Ricarda-Samantha Götte, Julia Timmermann
Date: 2022-04-27 00:00:00

While trade-offs between modeling effort and model accuracy remain a major concern with system identification, resorting to data-driven methods often leads to a complete disregard for physical plausibility. To address this issue, we propose a physics-guided hybrid approach for modeling non-autonomous systems under control. Starting from a traditional physics-based model, this is extended by a recurrent neural network and trained using a sophisticated multi-objective strategy yielding physically plausible models. While purely data-driven methods fail to produce satisfying results, experiments conducted on real data reveal substantial accuracy improvements by our approach compared to a physics-based model.
Particle algorithms for maximum likelihood training of latent variable models
Authors: Juan Kuntz, Jen Ning Lim, Adam M. Johansen
Date: 2022-04-27 00:00:00

(Neal and Hinton, 1998) recast maximum likelihood estimation of any given latent variable model as the minimization of a free energy functional $F$, and the EM algorithm as coordinate descent applied to $F$. Here, we explore alternative ways to optimize the functional. In particular, we identify various gradient flows associated with $F$ and show that their limits coincide with $F$'s stationary points. By discretizing the flows, we obtain practical particle-based algorithms for maximum likelihood estimation in broad classes of latent variable models. The novel algorithms scale to high-dimensional settings and perform well in numerical experiments.
Domain Knowledge-Infused Deep Learning for Automated Analog/Radio-Frequency Circuit Parameter Optimization
Authors: Weidong Cao, Mouhacine Benosman, Xuan Zhang, Rui Ma
Date: 2022-04-27 00:00:00
Tasks: Graph Learning

The design automation of analog circuits is a longstanding challenge. This paper presents a reinforcement learning method enhanced by graph learning to automate the analog circuit parameter optimization at the pre-layout stage, i.e., finding device parameters to fulfill desired circuit specifications. Unlike all prior methods, our approach is inspired by human experts who rely on domain knowledge of analog circuit design (e.g., circuit topology and couplings between circuit specifications) to tackle the problem. By originally incorporating such key domain knowledge into policy training with a multimodal network, the method best learns the complex relations between circuit parameters and design targets, enabling optimal decisions in the optimization process. Experimental results on exemplary circuits show it achieves human-level design accuracy (99%) 1.5X efficiency of existing best-performing methods. Our method also shows better generalization ability to unseen specifications and optimality in circuit performance optimization. Moreover, it applies to design radio-frequency circuits on emerging semiconductor technologies, breaking the limitations of prior learning methods in designing conventional analog circuits.
Spending Privacy Budget Fairly and Wisely
Authors: Lucas Rosenblatt, Joshua Allen, Julia Stoyanovich
Date: 2022-04-27 00:00:00
Tasks: Fairness, Feature Importance, Synthetic Data Generation

Differentially private (DP) synthetic data generation is a practical method for improving access to data as a means to encourage productive partnerships. One issue inherent to DP is that the "privacy budget" is generally "spent" evenly across features in the data set. This leads to good statistical parity with the real data, but can undervalue the conditional probabilities and marginals that are critical for predictive quality of synthetic data. Further, loss of predictive quality may be non-uniform across the data set, with subsets that correspond to minority groups potentially suffering a higher loss. In this paper, we develop ensemble methods that distribute the privacy budget "wisely" to maximize predictive accuracy of models trained on DP data, and "fairly" to bound potential disparities in accuracy across groups and reduce inequality. Our methods are based on the insights that feature importance can inform how privacy budget is allocated, and, further, that per-group feature importance and fairness-related performance objectives can be incorporated in the allocation. These insights make our methods tunable to social contexts, allowing data owners to produce balanced synthetic data for predictive analysis.
LiftPool: Lifting-based Graph Pooling for Hierarchical Graph Representation Learning
Authors: Mingxing Xu, Wenrui Dai, Chenglin Li, Junni Zou, Hongkai Xiong
Date: 2022-04-27 00:00:00
Tasks: Graph Classification, Graph Representation Learning, Representation Learning

Graph pooling has been increasingly considered for graph neural networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages, i.e., selecting the top-ranked nodes and removing the rest nodes to construct a coarsened graph representation. However, local structural information of the removed nodes would be inevitably dropped in these methods, due to the inherent coupling of nodes (location) and their features (signals). In this paper, we propose an enhanced three-stage method via lifting, named LiftPool, to improve hierarchical graph representation by maximally preserving the local structural information in graph pooling. LiftPool introduces an additional stage of graph lifting before graph coarsening to preserve the local information of the removed nodes and decouple the processes of node removing and feature reduction. Specifically, for each node to be removed, its local information is obtained by subtracting the global information aggregated from its neighboring preserved nodes. Subsequently, this local information is aligned and propagated to the preserved nodes to alleviate information loss in graph coarsening. Furthermore, we demonstrate that the proposed LiftPool is localized and permutation-invariant. The proposed graph lifting structure is general to be integrated with existing downsampling-based graph pooling methods. Evaluations on benchmark graph datasets show that LiftPool substantially outperforms the state-of-the-art graph pooling methods in the task of graph classification.
Performance and Interpretability Comparisons of Supervised Machine Learning Algorithms: An Empirical Study
Authors: Alice J. Liu, Arpita Mukherjee, Linwei Hu, Jie Chen, Vijayan N. Nair
Date: 2022-04-27 00:00:00
Tasks: BIG-bench Machine Learning

This paper compares the performances of three supervised machine learning algorithms in terms of predictive ability and model interpretation on structured or tabular data. The algorithms considered were scikit-learn implementations of extreme gradient boosting machines (XGB) and random forests (RFs), and feedforward neural networks (FFNNs) from TensorFlow. The paper is organized in a findings-based manner, with each section providing general conclusions supported by empirical results from simulation studies that cover a wide range of model complexity and correlation structures among predictors. We considered both continuous and binary responses of different sample sizes. Overall, XGB and FFNNs were competitive, with FFNNs showing better performance in smooth models and tree-based boosting algorithms performing better in non-smooth models. This conclusion held generally for predictive performance, identification of important variables, and determining correct input-output relationships as measured by partial dependence plots (PDPs). FFNNs generally had less over-fitting, as measured by the difference in performance between training and testing datasets. However, the difference with XGB was often small. RFs did not perform well in general, confirming the findings in the literature. All models exhibited different degrees of bias seen in PDPs, but the bias was especially problematic for RFs. The extent of the biases varied with correlation among predictors, response type, and data set sample size. In general, tree-based models tended to over-regularize the fitted model in the tails of predictor distributions. Finally, as to be expected, performances were better for continuous responses compared to binary data and with larger samples.
Detecting Backdoor Poisoning Attacks on Deep Neural Networks by Heatmap Clustering
Authors: Lukas Schulth, Christian Berghoff, Matthias Neu
Date: 2022-04-27 00:00:00
Tasks: Clustering

Predicitions made by neural networks can be fraudulently altered by so-called poisoning attacks. A special case are backdoor poisoning attacks. We study suitable detection methods and introduce a new method called Heatmap Clustering. There, we apply a $k$-means clustering algorithm on heatmaps produced by the state-of-the-art explainable AI method Layer-wise relevance propagation. The goal is to separate poisoned from un-poisoned data in the dataset. We compare this method with a similar method, called Activation Clustering, which also uses $k$-means clustering but applies it on the activation of certain hidden layers of the neural network as input. We test the performance of both approaches for standard backdoor poisoning attacks, label-consistent poisoning attacks and label-consistent poisoning attacks with reduced amplitude stickers. We show that Heatmap Clustering consistently performs better than Activation Clustering. However, when considering label-consistent poisoning attacks, the latter method also yields good detection performance.
Learning to Parallelize in a Shared-Memory Environment with Transformers
Authors: Re'em Harel, Yuval Pinter, Gal Oren
Date: 2022-04-27 00:00:00
Tasks: Management

In past years, the world has switched to many-core and multi-core shared memory architectures. As a result, there is a growing need to utilize these architectures by introducing shared memory parallelization schemes to software applications. OpenMP is the most comprehensive API that implements such schemes, characterized by a readable interface. Nevertheless, introducing OpenMP into code is challenging due to pervasive pitfalls in management of parallel shared memory. To facilitate the performance of this task, many source-to-source (S2S) compilers have been created over the years, tasked with inserting OpenMP directives into code automatically. In addition to having limited robustness to their input format, these compilers still do not achieve satisfactory coverage and precision in locating parallelizable code and generating appropriate directives. In this work, we propose leveraging recent advances in ML techniques, specifically in natural language processing (NLP), to replace S2S compilers altogether. We create a database (corpus), Open-OMP, specifically for this goal. Open-OMP contains over 28,000 code snippets, half of which contain OpenMP directives while the other half do not need parallelization at all with high probability. We use the corpus to train systems to automatically classify code segments in need of parallelization, as well as suggest individual OpenMP clauses. We train several transformer models, named PragFormer, for these tasks, and show that they outperform statistically-trained baselines and automatic S2S parallelization compilers in both classifying the overall need for an OpenMP directive and the introduction of private and reduction clauses. Our source code and database are available at: https://github.com/Scientific-Computing-Lab-NRCN/PragFormer.
Uncertainty-Aware Prediction of Battery Energy Consumption for Hybrid Electric Vehicles
Authors: Jihed Khiari, Cristina Olaverri-Monreal
Date: 2022-04-27 00:00:00

The usability of vehicles is highly dependent on their energy consumption. In particular, one of the main factors hindering the mass adoption of electric (EV), hybrid (HEV), and plug-in hybrid (PHEV) vehicles is range anxiety, which occurs when a driver is uncertain about the availability of energy for a given trip. To tackle this problem, we propose a machine learning approach for modeling the battery energy consumption. By reducing predictive uncertainty, this method can help increase trust in the vehicle's performance and thus boost its usability. Most related work focuses on physical and/or chemical models of the battery that affect the energy consumption. We propose a data-driven approach which relies on real-world datasets including battery related attributes. Our approach showed an improvement in terms of predictive uncertainty as well as in accuracy compared to traditional methods.
When Performance is not Enough -- A Multidisciplinary View on Clinical Decision Support
Authors: Roland Roller, Klemens Budde, Aljoscha Burchardt, Peter Dabrock, Sebastian Möller, Bilgin Osmanodja, Simon Ronicke, David Samhammer, Sven Schmeier
Date: 2022-04-27 00:00:00
Tasks: BIG-bench Machine Learning

Scientific publications about machine learning in healthcare are often about implementing novel methods and boosting the performance - at least from a computer science perspective. However, beyond such often short-lived improvements, much more needs to be taken into consideration if we want to arrive at a sustainable progress in healthcare. What does it take to actually implement such a system, make it usable for the domain expert, and possibly bring it into practical usage? Targeted at Computer Scientists, this work presents a multidisciplinary view on machine learning in medical decision support systems and covers information technology, medical, as well as ethical aspects. Along with an implemented risk prediction system in nephrology, challenges and lessons learned in a pilot project are presented.
Supervised Contrastive CSI Representation Learning for Massive MIMO Positioning
Authors: Junquan Deng, Wei Shi, Jianzhao Zhang, Xianyu Zhang, Chuan Zhang
Date: 2022-04-27 00:00:00
Tasks: Contrastive Learning, Representation Learning

Similarity metric is crucial for massive MIMO positioning utilizing channel state information~(CSI). In this letter, we propose a novel massive MIMO CSI similarity learning method via deep convolutional neural network~(DCNN) and contrastive learning. A contrastive loss function is designed considering multiple positive and negative CSI samples drawn from a training dataset. The DCNN encoder is trained using the loss so that positive samples are mapped to points close to the anchor's encoding, while encodings of negative samples are kept away from the anchor's in the representation space. Evaluation results of fingerprint-based positioning on a real-world CSI dataset show that the learned similarity metric improves positioning accuracy significantly compared with other known state-of-the-art methods.