pwc-archive/papers-with-abstracts huggingface dataset:
Deep Physics Corrector: A physics enhanced deep learning architecture for solving stochastic differential equations
Authors: Tushar, Souvik Chakraborty
Date: 2022-09-20 00:00:00

We propose a novel gray-box modeling algorithm for physical systems governed by stochastic differential equations (SDE). The proposed approach, referred to as the Deep Physics Corrector (DPC), blends approximate physics represented in terms of SDE with deep neural network (DNN). The primary idea here is to exploit DNN to model the missing physics. We hypothesize that combining incomplete physics with data will make the model interpretable and allow better generalization. The primary bottleneck associated with training surrogate models for stochastic simulators is often associated with selecting the suitable loss function. Among the different loss functions available in the literature, we use the conditional maximum mean discrepancy (CMMD) loss function in DPC because of its proven performance. Overall, physics-data fusion and CMMD allow DPC to learn from sparse data. We illustrate the performance of the proposed DPC on four benchmark examples from the literature. The results obtained are highly accurate, indicating its possible application as a surrogate model for stochastic simulators.
Relaxed Attention for Transformer Models
Authors: Timo Lohrenz, Björn Möller, Zhengyang Li, Tim Fingscheidt
Date: 2022-09-20 00:00:00
Tasks: Decoder, Image Classification, Language Modeling, Language Modelling, Lipreading, Lip Reading, Machine Translation

The powerful modeling capabilities of all-attention-based transformer architectures often cause overfitting and - for natural language processing tasks - lead to an implicitly learned internal language model in the autoregressive transformer decoder complicating the integration of external language models. In this paper, we explore relaxed attention, a simple and easy-to-implement smoothing of the attention weights, yielding a two-fold improvement to the general transformer architecture: First, relaxed attention provides regularization when applied to the self-attention layers in the encoder. Second, we show that it naturally supports the integration of an external language model as it suppresses the implicitly learned internal language model by relaxing the cross attention in the decoder. We demonstrate the benefit of relaxed attention across several tasks with clear improvement in combination with recent benchmark approaches. Specifically, we exceed the former state-of-the-art performance of 26.90% word error rate on the largest public lip-reading LRS3 benchmark with a word error rate of 26.31%, as well as we achieve a top-performing BLEU score of 37.67 on the IWSLT14 (DE$\rightarrow$EN) machine translation task without external language models and virtually no additional model parameters. Code and models will be made publicly available.
Neural Graph Databases
Authors: Maciej Besta, Patrick Iff, Florian Scheidl, Kazuki Osawa, Nikoli Dryden, Michal Podstawski, Tiancheng Chen, Torsten Hoefler
Date: 2022-09-20 00:00:00

Graph databases (GDBs) enable processing and analysis of unstructured, complex, rich, and usually vast graph datasets. Despite the large significance of GDBs in both academia and industry, little effort has been made into integrating them with the predictive power of graph neural networks (GNNs). In this work, we show how to seamlessly combine nearly any GNN model with the computational capabilities of GDBs. For this, we observe that the majority of these systems are based on, or support, a graph data model called the Labeled Property Graph (LPG), where vertices and edges can have arbitrarily complex sets of labels and properties. We then develop LPG2vec, an encoder that transforms an arbitrary LPG dataset into a representation that can be directly used with a broad class of GNNs, including convolutional, attentional, message-passing, and even higher-order or spectral models. In our evaluation, we show that the rich information represented as LPG labels and properties is properly preserved by LPG2vec, and it increases the accuracy of predictions regardless of the targeted learning task or the used GNN model, by up to 34% compared to graphs with no LPG labels/properties. In general, LPG2vec enables combining predictive power of the most powerful GNNs with the full scope of information encoded in the LPG model, paving the way for neural graph databases, a class of systems where the vast complexity of maintained data will benefit from modern and future graph machine learning methods.
Sparse Vicious Attacks on Graph Neural Networks
Authors: Giovanni Trappolini, Valentino Maiorca, Silvio Severino, Emanuele Rodolà, Fabrizio Silvestri, Gabriele Tolomei
Date: 2022-09-20 00:00:00
Tasks: Link Prediction, Prediction, Recommendation Systems

Graph Neural Networks (GNNs) have proven to be successful in several predictive modeling tasks for graph-structured data. Amongst those tasks, link prediction is one of the fundamental problems for many real-world applications, such as recommender systems. However, GNNs are not immune to adversarial attacks, i.e., carefully crafted malicious examples that are designed to fool the predictive model. In this work, we focus on a specific, white-box attack to GNN-based link prediction models, where a malicious node aims to appear in the list of recommended nodes for a given target victim. To achieve this goal, the attacker node may also count on the cooperation of other existing peers that it directly controls, namely on the ability to inject a number of ``vicious'' nodes in the network. Specifically, all these malicious nodes can add new edges or remove existing ones, thereby perturbing the original graph. Thus, we propose SAVAGE, a novel framework and a method to mount this type of link prediction attacks. SAVAGE formulates the adversary's goal as an optimization task, striking the balance between the effectiveness of the attack and the sparsity of malicious resources required. Extensive experiments conducted on real-world and synthetic datasets demonstrate that adversarial attacks implemented through SAVAGE indeed achieve high attack success rate yet using a small amount of vicious nodes. Finally, despite those attacks require full knowledge of the target model, we show that they are successfully transferable to other black-box methods for link prediction.
Symbolic Regression with Fast Function Extraction and Nonlinear Least Squares Optimization
Authors: Lukas Kammerer, Gabriel Kronberger, Michael Kommenda
Date: 2022-09-20 00:00:00
Tasks: regression, Symbolic Regression

Fast Function Extraction (FFX) is a deterministic algorithm for solving symbolic regression problems. We improve the accuracy of FFX by adding parameters to the arguments of nonlinear functions. Instead of only optimizing linear parameters, we optimize these additional nonlinear parameters with separable nonlinear least squared optimization using a variable projection algorithm. Both FFX and our new algorithm is applied on the PennML benchmark suite. We show that the proposed extensions of FFX leads to higher accuracy while providing models of similar length and with only a small increase in runtime on the given data. Our results are compared to a large set of regression methods that were already published for the given benchmark suite.
Testing Rare Downstream Safety Violations via Upstream Adaptive Sampling of Perception Error Models
Authors: Craig Innes, Subramanian Ramamoorthy
Date: 2022-09-20 00:00:00

Testing black-box perceptual-control systems in simulation faces two difficulties. Firstly, perceptual inputs in simulation lack the fidelity of real-world sensor inputs. Secondly, for a reasonably accurate perception system, encountering a rare failure trajectory may require running infeasibly many simulations. This paper combines perception error models -- surrogates for a sensor-based detection system -- with state-dependent adaptive importance sampling. This allows us to efficiently assess the rare failure probabilities for real-world perceptual control systems within simulation. Our experiments with an autonomous braking system equipped with an RGB obstacle-detector show that our method can calculate accurate failure probabilities with an inexpensive number of simulations. Further, we show how choice of safety metric can influence the process of learning proposal distributions capable of reliably sampling high-probability failures.
Industrial Data Science for Batch Manufacturing Processes
Authors: Imanol Arzac-Garmendia, Mattia Vallerio, Carlos Perez-Galvan, Francisco J. Navarro-Brull
Date: 2022-09-20 00:00:00
Tasks: AutoML

Batch processes show several sources of variability, from raw materials' properties to initial and evolving conditions that change during the different events in the manufacturing process. In this chapter, we will illustrate with an industrial example how to use machine learning to reduce this apparent excess of data while maintaining the relevant information for process engineers. Two common use cases will be presented: 1) AutoML analysis to quickly find correlations in batch process data, and 2) trajectory analysis to monitor and identify anomalous batches leading to process control improvements.
Lower Bounds on the Worst-Case Complexity of Efficient Global Optimization
Authors: Wenjie Xu, Yuning Jiang, Emilio T. Maddalena, Colin N. Jones
Date: 2022-09-20 00:00:00
Tasks: global-optimization

Efficient global optimization is a widely used method for optimizing expensive black-box functions such as tuning hyperparameter, and designing new material, etc. Despite its popularity, less attention has been paid to analyzing the inherent hardness of the problem although, given its extensive use, it is important to understand the fundamental limits of efficient global optimization algorithms. In this paper, we study the worst-case complexity of the efficient global optimization problem and, in contrast to existing kernel-specific results, we derive a unified lower bound for the complexity of efficient global optimization in terms of the metric entropy of a ball in its corresponding reproducing kernel Hilbert space~(RKHS). Specifically, we show that if there exists a deterministic algorithm that achieves suboptimality gap smaller than $\epsilon$ for any function $f\in S$ in $T$ function evaluations, it is necessary that $T$ is at least $\Omega\left(\frac{\log\mathcal{N}(S(\mathcal{X}), 4\epsilon,\|\cdot\|_\infty)}{\log(\frac{R}{\epsilon})}\right)$, where $\mathcal{N}(\cdot,\cdot,\cdot)$ is the covering number, $S$ is the ball centered at $0$ with radius $R$ in the RKHS and $S(\mathcal{X})$ is the restriction of $S$ over the feasible set $\mathcal{X}$. Moreover, we show that this lower bound nearly matches the upper bound attained by non-adaptive search algorithms for the commonly used squared exponential kernel and the Mat\'ern kernel with a large smoothness parameter $\nu$, up to a replacement of $d/2$ by $d$ and a logarithmic term $\log\frac{R}{\epsilon}$. That is to say, our lower bound is nearly optimal for these kernels.
MAC: A Meta-Learning Approach for Feature Learning and Recombination
Authors: S. Tiwari, M. Gogoi, S. Verma, K. P. Singh
Date: 2022-09-20 00:00:00
Tasks: Meta-Learning

Optimization-based meta-learning aims to learn an initialization so that a new unseen task can be learned within a few gradient updates. Model Agnostic Meta-Learning (MAML) is a benchmark algorithm comprising two optimization loops. The inner loop is dedicated to learning a new task and the outer loop leads to meta-initialization. However, ANIL (almost no inner loop) algorithm shows that feature reuse is an alternative to rapid learning in MAML. Thus, the meta-initialization phase makes MAML primed for feature reuse and obviates the need for rapid learning. Contrary to ANIL, we hypothesize that there may be a need to learn new features during meta-testing. A new unseen task from non-similar distribution would necessitate rapid learning in addition reuse and recombination of existing features. In this paper, we invoke the width-depth duality of neural networks, wherein, we increase the width of the network by adding extra computational units (ACU). The ACUs enable the learning of new atomic features in the meta-testing task, and the associated increased width facilitates information propagation in the forwarding pass. The newly learnt features combine with existing features in the last layer for meta-learning. Experimental results show that our proposed MAC method outperformed existing ANIL algorithm for non-similar task distribution by approximately 13% (5-shot task setting)
Comparing Shape-Constrained Regression Algorithms for Data Validation
Authors: Florian Bachinger, Gabriel Kronberger
Date: 2022-09-20 00:00:00
Tasks: regression

Industrial and scientific applications handle large volumes of data that render manual validation by humans infeasible. Therefore, we require automated data validation approaches that are able to consider the prior knowledge of domain experts to produce dependable, trustworthy assessments of data quality. Prior knowledge is often available as rules that describe interactions of inputs with regard to the target e.g. the target must be monotonically decreasing and convex over increasing input values. Domain experts are able to validate multiple such interactions at a glance. However, existing rule-based data validation approaches are unable to consider these constraints. In this work, we compare different shape-constrained regression algorithms for the purpose of data validation based on their classification accuracy and runtime performance.
EffEval: A Comprehensive Evaluation of Efficiency for MT Evaluation Metrics
Authors: Daniil Larionov, Jens Grünwald, Christoph Leiter, Steffen Eger
Date: 2022-09-20 00:00:00
Tasks: CPU, GPU, Machine Translation, nlg evaluation, Semantic Similarity, Semantic Textual Similarity, Text Generation

Efficiency is a key property to foster inclusiveness and reduce environmental costs, especially in an era of LLMs. In this work, we provide a comprehensive evaluation of efficiency for MT evaluation metrics. Our approach involves replacing computation-intensive transformers with lighter alternatives and employing linear and quadratic approximations for alignment algorithms on top of LLM representations. We evaluate six (reference-free and reference-based) metrics across three MT datasets and examine 16 lightweight transformers. In addition, we look into the training efficiency of metrics like COMET by utilizing adapters. Our results indicate that (a) TinyBERT provides the optimal balance between quality and efficiency, (b) CPU speed-ups are more substantial than those on GPU; (c) WMD approximations yield no efficiency gains while reducing quality and (d) adapters enhance training efficiency (regarding backward pass speed and memory requirements) as well as, in some cases, metric quality. These findings can help to strike a balance between evaluation speed and quality, which is essential for effective NLG systems. Furthermore, our research contributes to the ongoing efforts to optimize NLG evaluation metrics with minimal impact on performance. To our knowledge, ours is the most comprehensive analysis of different aspects of efficiency for MT metrics conducted so far.
Closing the Gender Wage Gap: Adversarial Fairness in Job Recommendation
Authors: Clara Rus, Jeffrey Luppes, Harrie Oosterhuis, Gido H. Schoenmacker
Date: 2022-09-20 00:00:00
Tasks: Fairness, Generative Adversarial Network, Recommendation Systems

The goal of this work is to help mitigate the already existing gender wage gap by supplying unbiased job recommendations based on resumes from job seekers. We employ a generative adversarial network to remove gender bias from word2vec representations of 12M job vacancy texts and 900k resumes. Our results show that representations created from recruitment texts contain algorithmic bias and that this bias results in real-world consequences for recommendation systems. Without controlling for bias, women are recommended jobs with significantly lower salary in our data. With adversarially fair representations, this wage gap disappears, meaning that our debiased job recommendations reduce wage discrimination. We conclude that adversarial debiasing of word representations can increase real-world fairness of systems and thus may be part of the solution for creating fairness-aware recommendation systems.
Adaptable Butterfly Accelerator for Attention-based NNs via Hardware and Algorithm Co-design
Authors: Hongxiang Fan, Thomas Chau, Stylianos I. Venieris, Royson Lee, Alexandros Kouris, Wayne Luk, Nicholas D. Lane, Mohamed S. Abdelfattah
Date: 2022-09-20 00:00:00
Tasks: CPU, GPU, Raspberry Pi 4

Attention-based neural networks have become pervasive in many AI tasks. Despite their excellent algorithmic performance, the use of the attention mechanism and feed-forward network (FFN) demands excessive computational and memory resources, which often compromises their hardware performance. Although various sparse variants have been introduced, most approaches only focus on mitigating the quadratic scaling of attention on the algorithm level, without explicitly considering the efficiency of mapping their methods on real hardware designs. Furthermore, most efforts only focus on either the attention mechanism or the FFNs but without jointly optimizing both parts, causing most of the current designs to lack scalability when dealing with different input lengths. This paper systematically considers the sparsity patterns in different variants from a hardware perspective. On the algorithmic level, we propose FABNet, a hardware-friendly variant that adopts a unified butterfly sparsity pattern to approximate both the attention mechanism and the FFNs. On the hardware level, a novel adaptable butterfly accelerator is proposed that can be configured at runtime via dedicated hardware control to accelerate different butterfly layers using a single unified hardware engine. On the Long-Range-Arena dataset, FABNet achieves the same accuracy as the vanilla Transformer while reducing the amount of computation by 10 to 66 times and the number of parameters 2 to 22 times. By jointly optimizing the algorithm and hardware, our FPGA-based butterfly accelerator achieves 14.2 to 23.2 times speedup over state-of-the-art accelerators normalized to the same computational budget. Compared with optimized CPU and GPU designs on Raspberry Pi 4 and Jetson Nano, our system is up to 273.8 and 15.1 times faster under the same power budget.
An Attention Free Long Short-Term Memory for Time Series Forecasting
Authors: Hugo Inzirillo, Ludovic De Villelongue
Date: 2022-09-20 00:00:00
Tasks: Prediction, Time Series, Time Series Analysis, Time Series Forecasting, Time Series Prediction

Deep learning is playing an increasingly important role in time series analysis. We focused on time series forecasting using attention free mechanism, a more efficient framework, and proposed a new architecture for time series prediction for which linear models seem to be unable to capture the time dependence. We proposed an architecture built using attention free LSTM layers that overcome linear models for conditional variance prediction. Our findings confirm the validity of our model, which also allowed to improve the prediction capacity of a LSTM, while improving the efficiency of the learning task.
Boosting the Discriminant Power of Naive Bayes
Authors: Shihe Wang, Jianfeng Ren, Xiaoyu Lian, Ruibin Bai, Xudong Jiang
Date: 2022-09-20 00:00:00

Naive Bayes has been widely used in many applications because of its simplicity and ability in handling both numerical data and categorical data. However, lack of modeling of correlations between features limits its performance. In addition, noise and outliers in the real-world dataset also greatly degrade the classification performance. In this paper, we propose a feature augmentation method employing a stack auto-encoder to reduce the noise in the data and boost the discriminant power of naive Bayes. The proposed stack auto-encoder consists of two auto-encoders for different purposes. The first encoder shrinks the initial features to derive a compact feature representation in order to remove the noise and redundant information. The second encoder boosts the discriminant power of the features by expanding them into a higher-dimensional space so that different classes of samples could be better separated in the higher-dimensional space. By integrating the proposed feature augmentation method with the regularized naive Bayes, the discrimination power of the model is greatly enhanced. The proposed method is evaluated on a set of machine-learning benchmark datasets. The experimental results show that the proposed method significantly and consistently outperforms the state-of-the-art naive Bayes classifiers.
Reduction from Complementary-Label Learning to Probability Estimates
Authors: Wei-I Lin, Hsuan-Tien Lin
Date: 2022-09-20 00:00:00
Tasks: Weakly-supervised Learning

Complementary-Label Learning (CLL) is a weakly-supervised learning problem that aims to learn a multi-class classifier from only complementary labels, which indicate a class to which an instance does not belong. Existing approaches mainly adopt the paradigm of reduction to ordinary classification, which applies specific transformations and surrogate losses to connect CLL back to ordinary classification. Those approaches, however, face several limitations, such as the tendency to overfit or be hooked on deep models. In this paper, we sidestep those limitations with a novel perspective--reduction to probability estimates of complementary classes. We prove that accurate probability estimates of complementary labels lead to good classifiers through a simple decoding step. The proof establishes a reduction framework from CLL to probability estimates. The framework offers explanations of several key CLL approaches as its special cases and allows us to design an improved algorithm that is more robust in noisy environments. The framework also suggests a validation procedure based on the quality of probability estimates, leading to an alternative way to validate models with only complementary labels. The flexible framework opens a wide range of unexplored opportunities in using deep and non-deep models for probability estimates to solve the CLL problem. Empirical experiments further verified the framework's efficacy and robustness in various settings.
A framework for benchmarking clustering algorithms
Authors: Marek Gagolewski
Date: 2022-09-20 00:00:00
Tasks: Benchmarking, Clustering, valid

The evaluation of clustering algorithms can involve running them on a variety of benchmark problems, and comparing their outputs to the reference, ground-truth groupings provided by experts. Unfortunately, many research papers and graduate theses consider only a small number of datasets. Also, the fact that there can be many equally valid ways to cluster a given problem set is rarely taken into account. In order to overcome these limitations, we have developed a framework whose aim is to introduce a consistent methodology for testing clustering algorithms. Furthermore, we have aggregated, polished, and standardised many clustering benchmark dataset collections referred to across the machine learning and data mining literature, and included new datasets of different dimensionalities, sizes, and cluster types. An interactive datasets explorer, the documentation of the Python API, a description of the ways to interact with the framework from other programming languages such as R or MATLAB, and other details are all provided at <https://clustering-benchmarks.gagolewski.com>.