pwc-archive/papers-with-abstracts huggingface dataset:
Machine-Learning-based Colorectal Tissue Classification via Acoustic Resolution Photoacoustic Microscopy
Authors: Shangqing Tong, Peng Ge, Yanan Jiao, Zhaofu Ma, Ziye Li, Longhai Liu, Feng Gao, Xiaohui Du, Fei Gao
Date: 2023-07-17 00:00:00
Tasks: Diagnostic

Colorectal cancer is a deadly disease that has become increasingly prevalent in recent years. Early detection is crucial for saving lives, but traditional diagnostic methods such as colonoscopy and biopsy have limitations. Colonoscopy cannot provide detailed information within the tissues affected by cancer, while biopsy involves tissue removal, which can be painful and invasive. In order to improve diagnostic efficiency and reduce patient suffering, we studied machine-learningbased approach for colorectal tissue classification that uses acoustic resolution photoacoustic microscopy (ARPAM). With this tool, we were able to classify benign and malignant tissue using multiple machine learning methods. Our results were analyzed both quantitatively and qualitatively to evaluate the effectiveness of our approach.
Results on Counterfactual Invariance
Authors: Jake Fawkes, Robin J. Evans
Date: 2023-07-17 00:00:00
Tasks: counterfactual

In this paper we provide a theoretical analysis of counterfactual invariance. We present a variety of existing definitions, study how they relate to each other and what their graphical implications are. We then turn to the current major question surrounding counterfactual invariance, how does it relate to conditional independence? We show that whilst counterfactual invariance implies conditional independence, conditional independence does not give any implications about the degree or likelihood of satisfying counterfactual invariance. Furthermore, we show that for discrete causal models counterfactually invariant functions are often constrained to be functions of particular variables, or even constant.
Kernel-Based Testing for Single-Cell Differential Analysis
Authors: Anthony Ozier-Lafontaine, Camille Fourneaux, Ghislain Durif, Polina Arsenteva, Céline Vallot, Olivier Gandrillon, Sandrine Giraud, Bertrand Michel, Franck Picard
Date: 2023-07-17 00:00:00

Single-cell technologies offer insights into molecular feature distributions, but comparing them poses challenges. We propose a kernel-testing framework for non-linear cell-wise distribution comparison, analyzing gene expression and epigenomic modifications. Our method allows feature-wise and global transcriptome/epigenome comparisons, revealing cell population heterogeneities. Using a classifier based on embedding variability, we identify transitions in cell states, overcoming limitations of traditional single-cell analysis. Applied to single-cell ChIP-Seq data, our approach identifies untreated breast cancer cells with an epigenomic profile resembling persister cells. This demonstrates the effectiveness of kernel testing in uncovering subtle population variations that might be missed by other methods.
Efficient and Accurate Optimal Transport with Mirror Descent and Conjugate Gradients
Authors: Mete Kemertas, Allan D. Jepson, Amir-Massoud Farahmand
Date: 2023-07-17 00:00:00
Tasks: Benchmarking, GPU

We design a novel algorithm for optimal transport by drawing from the entropic optimal transport, mirror descent and conjugate gradients literatures. Our scalable and GPU parallelizable algorithm is able to compute the Wasserstein distance with extreme precision, reaching relative error rates of $10^{-8}$ without numerical stability issues. Empirically, the algorithm converges to high precision solutions more quickly in terms of wall-clock time than a variety of algorithms including log-domain stabilized Sinkhorn's Algorithm. We provide careful ablations with respect to algorithm and problem parameters, and present benchmarking over upsampled MNIST images, comparing to various recent algorithms over high-dimensional problems. The results suggest that our algorithm can be a useful addition to the practitioner's optimal transport toolkit.
Fairness in KI-Systemen
Authors: Janine Strotherm, Alissa Müller, Barbara Hammer, Benjamin Paaßen
Date: 2023-07-17 00:00:00
Tasks: Fairness

The more AI-assisted decisions affect people's lives, the more important the fairness of such decisions becomes. In this chapter, we provide an introduction to research on fairness in machine learning. We explain the main fairness definitions and strategies for achieving fairness using concrete examples and place fairness research in the European context. Our contribution is aimed at an interdisciplinary audience and therefore avoids mathematical formulation but emphasizes visualizations and examples. -- Je mehr KI-gest\"utzte Entscheidungen das Leben von Menschen betreffen, desto wichtiger ist die Fairness solcher Entscheidungen. In diesem Kapitel geben wir eine Einf\"uhrung in die Forschung zu Fairness im maschinellen Lernen. Wir erkl\"aren die wesentlichen Fairness-Definitionen und Strategien zur Erreichung von Fairness anhand konkreter Beispiele und ordnen die Fairness-Forschung in den europ\"aischen Kontext ein. Unser Beitrag richtet sich dabei an ein interdisziplin\"ares Publikum und verzichtet daher auf die mathematische Formulierung sondern betont Visualisierungen und Beispiele.
Cross Feature Selection to Eliminate Spurious Interactions and Single Feature Dominance Explainable Boosting Machines
Authors: Shree Charran R, Sandipan Das Mahapatra
Date: 2023-07-17 00:00:00
Tasks: Decision Making, feature selection

Interpretability is a crucial aspect of machine learning models that enables humans to understand and trust the decision-making process of these models. In many real-world applications, the interpretability of models is essential for legal, ethical, and practical reasons. For instance, in the banking domain, interpretability is critical for lenders and borrowers to understand the reasoning behind the acceptance or rejection of loan applications as per fair lending laws. However, achieving interpretability in machine learning models is challenging, especially for complex high-performance models. Hence Explainable Boosting Machines (EBMs) have been gaining popularity due to their interpretable and high-performance nature in various prediction tasks. However, these models can suffer from issues such as spurious interactions with redundant features and single-feature dominance across all interactions, which can affect the interpretability and reliability of the model's predictions. In this paper, we explore novel approaches to address these issues by utilizing alternate Cross-feature selection, ensemble features and model configuration alteration techniques. Our approach involves a multi-step feature selection procedure that selects a set of candidate features, ensemble features and then benchmark the same using the EBM model. We evaluate our method on three benchmark datasets and show that the alternate techniques outperform vanilla EBM methods, while providing better interpretability and feature selection stability, and improving the model's predictive performance. Moreover, we show that our approach can identify meaningful interactions and reduce the dominance of single features in the model's predictions, leading to more reliable and interpretable models. Index Terms- Interpretability, EBM's, ensemble, feature selection.
A Fast Task Offloading Optimization Framework for IRS-Assisted Multi-Access Edge Computing System
Authors: Jianqiu Wu, Zhongyi Yu, Jianxiong Guo, Zhiqing Tang, Tian Wang, Weijia Jia
Date: 2023-07-17 00:00:00
Tasks: Combinatorial Optimization, Edge-computing

Terahertz communication networks and intelligent reflecting surfaces exhibit significant potential in advancing wireless networks, particularly within the domain of aerial-based multi-access edge computing systems. These technologies enable efficient offloading of computational tasks from user electronic devices to Unmanned Aerial Vehicles or local execution. For the generation of high-quality task-offloading allocations, conventional numerical optimization methods often struggle to solve challenging combinatorial optimization problems within the limited channel coherence time, thereby failing to respond quickly to dynamic changes in system conditions. To address this challenge, we propose a deep learning-based optimization framework called Iterative Order-Preserving policy Optimization (IOPO), which enables the generation of energy-efficient task-offloading decisions within milliseconds. Unlike exhaustive search methods, IOPO provides continuous updates to the offloading decisions without resorting to exhaustive search, resulting in accelerated convergence and reduced computational complexity, particularly when dealing with complex problems characterized by extensive solution spaces. Experimental results demonstrate that the proposed framework can generate energy-efficient task-offloading decisions within a very short time period, outperforming other benchmark methods.
SBMLtoODEjax: Efficient Simulation and Optimization of Biological Network Models in JAX
Authors: Mayalen Etcheverry, Michael Levin, Clément Moulin-Frier, Pierre-Yves Oudeyer
Date: 2023-07-17 00:00:00

Advances in bioengineering and biomedicine demand a deep understanding of the dynamic behavior of biological systems, ranging from protein pathways to complex cellular processes. Biological networks like gene regulatory networks and protein pathways are key drivers of embryogenesis and physiological processes. Comprehending their diverse behaviors is essential for tackling diseases, including cancer, as well as for engineering novel biological constructs. Despite the availability of extensive mathematical models represented in Systems Biology Markup Language (SBML), researchers face significant challenges in exploring the full spectrum of behaviors and optimizing interventions to efficiently shape those behaviors. Existing tools designed for simulation of biological network models are not tailored to facilitate interventions on network dynamics nor to facilitate automated discovery. Leveraging recent developments in machine learning (ML), this paper introduces SBMLtoODEjax, a lightweight library designed to seamlessly integrate SBML models with ML-supported pipelines, powered by JAX. SBMLtoODEjax facilitates the reuse and customization of SBML-based models, harnessing JAX's capabilities for efficient parallel simulations and optimization, with the aim to accelerate research in biological network analysis.
From random-walks to graph-sprints: a low-latency node embedding framework on continuous-time dynamic graphs
Authors: Ahmad Naser Eddin, Jacopo Bono, David Aparício, Hugo Ferreira, João Ascensão, Pedro Ribeiro, Pedro Bizarro
Date: 2023-07-17 00:00:00
Tasks: Graph Representation Learning, Node Classification, Representation Learning

Many real-world datasets have an underlying dynamic graph structure, where entities and their interactions evolve over time. Machine learning models should consider these dynamics in order to harness their full potential in downstream tasks. Previous approaches for graph representation learning have focused on either sampling k-hop neighborhoods, akin to breadth-first search, or random walks, akin to depth-first search. However, these methods are computationally expensive and unsuitable for real-time, low-latency inference on dynamic graphs. To overcome these limitations, we propose graph-sprints a general purpose feature extraction framework for continuous-time-dynamic-graphs (CTDGs) that has low latency and is competitive with state-of-the-art, higher latency models. To achieve this, a streaming, low latency approximation to the random-walk based features is proposed. In our framework, time-aware node embeddings summarizing multi-hop information are computed using only single-hop operations on the incoming edges. We evaluate our proposed approach on three open-source datasets and two in-house datasets, and compare with three state-of-the-art algorithms (TGN-attn, TGN-ID, Jodie). We demonstrate that our graph-sprints features, combined with a machine learning classifier, achieve competitive performance (outperforming all baselines for the node classification tasks in five datasets). Simultaneously, graph-sprints significantly reduce inference latencies, achieving close to an order of magnitude speed-up in our experimental setting.
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Authors: Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik Bekkers, Michael Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess Smidt, Shuiwang Ji
Date: 2023-07-17 00:00:00
Tasks: Out-of-Distribution Generalization, Transfer Learning, Uncertainty Quantification

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.
Vocoder drift compensation by x-vector alignment in speaker anonymisation
Authors: Michele Panariello, Massimiliano Todisco, Nicholas Evans
Date: 2023-07-17 00:00:00

For the most popular x-vector-based approaches to speaker anonymisation, the bulk of the anonymisation can stem from vocoding rather than from the core anonymisation function which is used to substitute an original speaker x-vector with that of a fictitious pseudo-speaker. This phenomenon can impede the design of better anonymisation systems since there is a lack of fine-grained control over the x-vector space. The work reported in this paper explores the origin of so-called vocoder drift and shows that it is due to the mismatch between the substituted x-vector and the original representations of the linguistic content, intonation and prosody. Also reported is an original approach to vocoder drift compensation. While anonymisation performance degrades as expected, compensation reduces vocoder drift substantially, offers improved control over the x-vector space and lays a foundation for the design of better anonymisation functions in the future.
On the application of Large Language Models for language teaching and assessment technology
Authors: Andrew Caines, Luca Benedetto, Shiva Taslimipoor, Christopher Davis, Yuan Gao, Oeistein Andersen, Zheng Yuan, Mark Elliott, Russell Moore, Christopher Bryant, Marek Rei, Helen Yannakoudakis, Andrew Mullooly, Diane Nicholls, Paula Buttery
Date: 2023-07-17 00:00:00
Tasks: Grammatical Error Correction, Misinformation, Text Generation

The recent release of very large language models such as PaLM and GPT-4 has made an unprecedented impact in the popular media and public consciousness, giving rise to a mixture of excitement and fear as to their capabilities and potential uses, and shining a light on natural language processing research which had not previously received so much attention. The developments offer great promise for education technology, and in this paper we look specifically at the potential for incorporating large language models in AI-driven language teaching and assessment systems. We consider several research areas and also discuss the risks and ethical considerations surrounding generative AI in education technology for language learners. Overall we find that larger language models offer improvements over previous models in text generation, opening up routes toward content generation which had not previously been plausible. For text generation they must be prompted carefully and their outputs may need to be reshaped before they are ready for use. For automated grading and grammatical error correction, tasks whose progress is checked on well-known benchmarks, early investigations indicate that large language models on their own do not improve on state-of-the-art results according to standard evaluation metrics. For grading it appears that linguistic features established in the literature should still be used for best performance, and for error correction it may be that the models can offer alternative feedback styles which are not measured sensitively with existing methods. In all cases, there is work to be done to experiment with the inclusion of large language models in education technology for language learners, in order to properly understand and report on their capacities and limitations, and to ensure that foreseeable risks such as misinformation and harmful bias are mitigated.
Correlation-aware Spatial-Temporal Graph Learning for Multivariate Time-series Anomaly Detection
Authors: Yu Zheng, Huan Yee Koh, Ming Jin, Lianhua Chi, Khoa T. Phan, Shirui Pan, Yi-Ping Phoebe Chen, Wei Xiang
Date: 2023-07-17 00:00:00
Tasks: Anomaly Detection, Graph Learning, Graph Neural Network, Time Series, Time Series Anomaly Detection

Multivariate time-series anomaly detection is critically important in many applications, including retail, transportation, power grid, and water treatment plants. Existing approaches for this problem mostly employ either statistical models which cannot capture the non-linear relations well or conventional deep learning models (e.g., CNN and LSTM) that do not explicitly learn the pairwise correlations among variables. To overcome these limitations, we propose a novel method, correlation-aware spatial-temporal graph learning (termed CST-GL), for time series anomaly detection. CST-GL explicitly captures the pairwise correlations via a multivariate time series correlation learning module based on which a spatial-temporal graph neural network (STGNN) can be developed. Then, by employing a graph convolution network that exploits one- and multi-hop neighbor information, our STGNN component can encode rich spatial information from complex pairwise dependencies between variables. With a temporal module that consists of dilated convolutional functions, the STGNN can further capture long-range dependence over time. A novel anomaly scoring component is further integrated into CST-GL to estimate the degree of an anomaly in a purely unsupervised manner. Experimental results demonstrate that CST-GL can detect anomalies effectively in general settings as well as enable early detection across different time delays.
Tabular Machine Learning Methods for Predicting Gas Turbine Emissions
Authors: Rebecca Potts, Rick Hackney, Georgios Leontidis
Date: 2023-07-17 00:00:00
Tasks: Missing Values

Predicting emissions for gas turbines is critical for monitoring harmful pollutants being released into the atmosphere. In this study, we evaluate the performance of machine learning models for predicting emissions for gas turbines. We compare an existing predictive emissions model, a first principles-based Chemical Kinetics model, against two machine learning models we developed based on SAINT and XGBoost, to demonstrate improved predictive performance of nitrogen oxides (NOx) and carbon monoxide (CO) using machine learning techniques. Our analysis utilises a Siemens Energy gas turbine test bed tabular dataset to train and validate the machine learning models. Additionally, we explore the trade-off between incorporating more features to enhance the model complexity, and the resulting presence of increased missing values in the dataset.
Predicting Battery Lifetime Under Varying Usage Conditions from Early Aging Data
Authors: Tingkai Li, ZiHao Zhou, Adam Thelen, David Howey, Chao Hu
Date: 2023-07-17 00:00:00
Tasks: Feature Engineering

Accurate battery lifetime prediction is important for preventative maintenance, warranties, and improved cell design and manufacturing. However, manufacturing variability and usage-dependent degradation make life prediction challenging. Here, we investigate new features derived from capacity-voltage data in early life to predict the lifetime of cells cycled under widely varying charge rates, discharge rates, and depths of discharge. Features were extracted from regularly scheduled reference performance tests (i.e., low rate full cycles) during cycling. The early-life features capture a cell's state of health and the rate of change of component-level degradation modes, some of which correlate strongly with cell lifetime. Using a newly generated dataset from 225 nickel-manganese-cobalt/graphite Li-ion cells aged under a wide range of conditions, we demonstrate a lifetime prediction of in-distribution cells with 15.1% mean absolute percentage error using no more than the first 15% of data, for most cells. Further testing using a hierarchical Bayesian regression model shows improved performance on extrapolation, achieving 21.8% mean absolute percentage error for out-of-distribution cells. Our approach highlights the importance of using domain knowledge of lithium-ion battery degradation modes to inform feature engineering. Further, we provide the community with a new publicly available battery aging dataset with cells cycled beyond 80% of their rated capacity.