pwc-archive/papers-with-abstracts huggingface dataset:
Unsupervised Deep Unfolded PGD for Transmit Power Allocation in Wireless Systems
Authors: Ramoni Adeogun
Date: 2023-06-20 00:00:00

Transmit power control (TPC) is a key mechanism for managing interference, energy utilization, and connectivity in wireless systems. In this paper, we propose a simple low-complexity TPC algorithm based on the deep unfolding of the iterative projected gradient descent (PGD) algorithm into layers of a deep neural network and learning the step-size parameters. An unsupervised learning method with either online learning or offline pretraining is applied for optimizing the weights of the DNN. Performance evaluation in dense device-to-device (D2D) communication scenarios showed that the proposed method can achieve better performance than the iterative algorithm with more than a factor of 2 lower number of iterations.
A Model-free Closeness-of-influence Test for Features in Supervised Learning
Authors: Mohammad Mehrabi, Ryan A. Rossi
Date: 2023-06-20 00:00:00
Tasks: Binary Classification

Understanding the effect of a feature vector $x \in \mathbb{R}^d$ on the response value (label) $y \in \mathbb{R}$ is the cornerstone of many statistical learning problems. Ideally, it is desired to understand how a set of collected features combine together and influence the response value, but this problem is notoriously difficult, due to the high-dimensionality of data and limited number of labeled data points, among many others. In this work, we take a new perspective on this problem, and we study the question of assessing the difference of influence that the two given features have on the response value. We first propose a notion of closeness for the influence of features, and show that our definition recovers the familiar notion of the magnitude of coefficients in the parametric model. We then propose a novel method to test for the closeness of influence in general model-free supervised learning problems. Our proposed test can be used with finite number of samples with control on type I error rate, no matter the ground truth conditional law $\mathcal{L}(Y |X)$. We analyze the power of our test for two general learning problems i) linear regression, and ii) binary classification under mixture of Gaussian models, and show that under the proper choice of score function, an internal component of our test, with sufficient number of samples will achieve full statistical power. We evaluate our findings through extensive numerical simulations, specifically we adopt the datamodel framework (Ilyas, et al., 2022) for CIFAR-10 dataset to identify pairs of training samples with different influence on the trained model via optional black box training mechanisms.
Generalization Across Experimental Parameters in Machine Learning Analysis of High Resolution Transmission Electron Microscopy Datasets
Authors: Katherine Sytwu, Luis Rangel DaCosta, Mary C. Scott
Date: 2023-06-20 00:00:00

Neural networks are promising tools for high-throughput and accurate transmission electron microscopy (TEM) analysis of nanomaterials, but are known to generalize poorly on data that is "out-of-distribution" from their training data. Given the limited set of image features typically seen in high-resolution TEM imaging, it is unclear which images are considered out-of-distribution from others. Here, we investigate how the choice of metadata features in the training dataset influences neural network performance, focusing on the example task of nanoparticle segmentation. We train and validate neural networks across curated, experimentally-collected high-resolution TEM image datasets of nanoparticles under controlled imaging and material parameters, including magnification, dosage, nanoparticle diameter, and nanoparticle material. Overall, we find that our neural networks are not robust across microscope parameters, but do generalize across certain sample parameters. Additionally, data preprocessing heavily influences the generalizability of neural networks trained on nominally similar datasets. Our results highlight the need to understand how dataset features affect deployment of data-driven algorithms.
Decoding Urban-health Nexus: Interpretable Machine Learning Illuminates Cancer Prevalence based on Intertwined City Features
Authors: Chenyue Liu, Ali Mostafavi
Date: 2023-06-20 00:00:00
Tasks: Causal Inference, Interpretable Machine Learning

This study investigates the interplay among social demographics, built environment characteristics, and environmental hazard exposure features in determining community level cancer prevalence. Utilizing data from five Metropolitan Statistical Areas in the United States: Chicago, Dallas, Houston, Los Angeles, and New York, the study implemented an XGBoost machine learning model to predict the extent of cancer prevalence and evaluate the importance of different features. Our model demonstrates reliable performance, with results indicating that age, minority status, and population density are among the most influential factors in cancer prevalence. We further explore urban development and design strategies that could mitigate cancer prevalence, focusing on green space, developed areas, and total emissions. Through a series of experimental evaluations based on causal inference, the results show that increasing green space and reducing developed areas and total emissions could alleviate cancer prevalence. The study and findings contribute to a better understanding of the interplay among urban features and community health and also show the value of interpretable machine learning models for integrated urban design to promote public health. The findings also provide actionable insights for urban planning and design, emphasizing the need for a multifaceted approach to addressing urban health disparities through integrated urban design strategies.
UMM: Unsupervised Mean-difference Maximization
Authors: Jan Sosulski, Michael Tangermann
Date: 2023-06-20 00:00:00
Tasks: Brain Computer Interface, ERP

Many brain-computer interfaces make use of brain signals that are elicited in response to a visual, auditory or tactile stimulus, so-called event-related potentials (ERPs). In visual ERP speller applications, sets of letters shown on a screen are flashed randomly, and the participant attends to the target letter they want to spell. When this letter flashes, the resulting ERP is different compared to when any other non-target letter flashes. We propose a new unsupervised approach to detect this attended letter. In each trial, for every available letter our approach makes the hypothesis that it is in fact the attended letter, and calculates the ERPs based on each of these hypotheses. We leverage the fact that only the true hypothesis produces the largest difference between the class means. Note that this unsupervised method does not require any changes to the underlying experimental paradigm and therefore can be employed in almost any ERP-based setup. To deal with limited data, we use a block-Toeplitz regularized covariance matrix that models the background activity. We implemented the proposed novel unsupervised mean-difference maximization (UMM) method and evaluated it in offline replays of brain-computer interface visual speller datasets. For a dataset that used 16 flashes per symbol per trial, UMM correctly classifies 3651 out of 3654 letters ($99.92\,\%$) across 25 participants. In another dataset with fewer and shorter trials, 7344 out of 7383 letters ($99.47\,\%$) are classified correctly across 54 participants with two sessions each. Even in more challenging datasets obtained from patients with amyotrophic lateral sclerosis ($77.86\,\%$) or when using auditory ERPs ($82.52\,\%$), the obtained classification rates obtained by UMM are competitive. In addition, UMM provides stable confidence measures which can be used to monitor convergence.
DynaQuant: Compressing Deep Learning Training Checkpoints via Dynamic Quantization
Authors: Amey Agrawal, Sameer Reddy, Satwik Bhattamishra, Venkata Prabhakara Sarath Nookala, Vidushi Vashishth, Kexin Rong, Alexey Tumanov
Date: 2023-06-20 00:00:00
Tasks: Deep Learning, Model Compression, Quantization, Transfer Learning

With the increase in the scale of Deep Learning (DL) training workloads in terms of compute resources and time consumption, the likelihood of encountering in-training failures rises substantially, leading to lost work and resource wastage. Such failures are typically offset by a checkpointing mechanism, which comes at the cost of storage and network bandwidth overhead. State-of-the-art approaches involve lossy model compression mechanisms, which induce a tradeoff between the resulting model quality (accuracy) and compression ratio. Delta compression is then also used to further reduce the overhead by only storing the difference between consecutive checkpoints. We make a key enabling observation that the sensitivity of model weights to compression varies during training, and different weights benefit from different quantization levels (ranging from retaining full precision to pruning). We propose (1) a non-uniform quantization scheme that leverages this variation, (2) an efficient search mechanism to dynamically adjust to the best quantization configurations, and (3) a quantization-aware delta compression mechanism that rearranges weights to minimize checkpoint differences, thereby maximizing compression. We instantiate these contributions in DynaQuant - a framework for DL workload checkpoint compression. Our experiments show that DynaQuant consistently achieves better tradeoff between accuracy and compression ratios compared to prior works, enabling a compression ratio up to 39x and withstanding up to 10 restores with negligible accuracy impact for fault-tolerant training. DynaQuant achieves at least an order of magnitude reduction in checkpoint storage overhead for training failure recovery as well as transfer learning use cases without any loss of accuracy
Towards a robust and reliable deep learning approach for detection of compact binary mergers in gravitational wave data
Authors: Shreejit Jadhav, Mihir Shrivastava, Sanjit Mitra
Date: 2023-06-20 00:00:00
Tasks: Generative Adversarial Network

The ability of deep learning (DL) approaches to learn generalised signal and noise models, coupled with their fast inference on GPUs, holds great promise for enhancing gravitational-wave (GW) searches in terms of speed, parameter space coverage, and search sensitivity. However, the opaque nature of DL models severely harms their reliability. In this work, we meticulously develop a DL model stage-wise and work towards improving its robustness and reliability. First, we address the problems in maintaining the purity of training data by deriving a new metric that better reflects the visual strength of the 'chirp' signal features in the data. Using a reduced, smooth representation obtained through a variational auto-encoder (VAE), we build a classifier to search for compact binary coalescence (CBC) signals. Our tests on real LIGO data show an impressive performance of the model. However, upon probing the robustness of the model through adversarial attacks, its simple failure modes were identified, underlining how such models can still be highly fragile. As a first step towards bringing robustness, we retrain the model in a novel framework involving a generative adversarial network (GAN). Over the course of training, the model learns to eliminate the primary modes of failure identified by the adversaries. Although absolute robustness is practically impossible to achieve, we demonstrate some fundamental improvements earned through such training, like sparseness and reduced degeneracy in the extracted features at different layers inside the model. We show that these gains are achieved at practically zero loss in terms of model performance on real LIGO data before and after GAN training. Through a direct search on 8.8 days of LIGO data, we recover two significant CBC events from GWTC-2.1, GW190519_153544 and GW190521_074359. We also report the search sensitivity obtained from an injection study.
Time-Varying Transition Matrices with Multi-task Gaussian Processes
Authors: Ekin Ugurel
Date: 2023-06-20 00:00:00
Tasks: Gaussian Processes

In this paper, we present a kernel-based, multi-task Gaussian Process (GP) model for approximating the underlying function of an individual's mobility state using a time-inhomogeneous Markov Process with two states: moves and pauses. Our approach accounts for the correlations between the transition probabilities by creating a covariance matrix over the tasks. We also introduce time-variability by assuming that an individual's transition probabilities vary over time in response to exogenous variables. We enforce the stochasticity and non-negativity constraints of probabilities in a Markov process through the incorporation of a set of constraint points in the GP. We also discuss opportunities to speed up GP estimation and inference in this context by exploiting Toeplitz and Kronecker product structures. Our numerical experiments demonstrate the ability of our formulation to enforce the desired constraints while learning the functional form of transition probabilities.
Geometric Deep Learning for Structure-Based Drug Design: A Survey
Authors: Zaixi Zhang, Jiaxian Yan, Yining Huang, Qi Liu, Enhong Chen, Mengdi Wang, Marinka Zitnik
Date: 2023-06-20 00:00:00
Tasks: Benchmarking, Deep Learning, Drug Design, Drug Discovery, Out-of-Distribution Generalization

Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical modeling and domain expertise, are often resource-intensive. Recent advancements in geometric deep learning, which effectively integrate and process 3D geometric data, alongside breakthroughs in accurate protein structure predictions from tools like AlphaFold, have significantly propelled the field forward. This paper systematically reviews the state-of-the-art in geometric deep learning for SBDD. We begin by outlining foundational tasks in SBDD, discussing prevalent 3D protein representations, and highlighting representative predictive and generative models. Next, we provide an in-depth review of key tasks, including binding site prediction, binding pose generation, de novo molecule generation, linker design, protein pocket generation, and binding affinity prediction. For each task, we present formal problem definitions, key methods, datasets, evaluation metrics, and performance benchmarks. Lastly, we explore current challenges and future opportunities in SBDD. Challenges include oversimplified problem formulations, limited out-of-distribution generalization, biosecurity concerns related to the misuse of structural data, insufficient evaluation metrics and large-scale benchmarks, and the need for experimental validation and enhanced model interpretability. Opportunities lie in leveraging multimodal datasets, integrating domain knowledge, developing comprehensive benchmarks, establishing criteria aligned with clinical outcomes, and designing foundation models to expand the scope of design tasks. We also curate \url{https://github.com/zaixizhang/Awesome-SBDD}, reflecting ongoing contributions and new datasets in SBDD.
About some compression algorithms
Authors: Orchidea Maria Lecian, Brunello Tirozzi
Date: 2023-06-20 00:00:00

We use neural network algorithms for finding compression methods of images in the framework of iterated function systems which is a collection of the transformations of the interval $(0, 1)$ satisfying suitable properties.
On Frequency-Wise Normalizations for Better Recording Device Generalization in Audio Spectrogram Transformers
Authors: Paul Primus and, Gerhard Widmer
Date: 2023-06-20 00:00:00
Tasks: Acoustic Scene Classification, Scene Classification

Varying conditions between the data seen at training and at application time remain a major challenge for machine learning. We study this problem in the context of Acoustic Scene Classification (ASC) with mismatching recording devices. Previous works successfully employed frequency-wise normalization of inputs and hidden layer activations in convolutional neural networks to reduce the recording device discrepancy. The main objective of this work was to adopt frequency-wise normalization for Audio Spectrogram Transformers (ASTs), which have recently become the dominant model architecture in ASC. To this end, we first investigate how recording device characteristics are encoded in the hidden layer activations of ASTs. We find that recording device information is initially encoded in the frequency dimension; however, after the first self-attention block, it is largely transformed into the token dimension. Based on this observation, we conjecture that suppressing recording device characteristics in the input spectrogram is the most effective. We propose a frequency-centering operation for spectrograms that improves the ASC performance on unseen recording devices on average by up to 18.2 percentage points.
Solving Dialogue Grounding Embodied Task in a Simulated Environment using Further Masked Language Modeling
Authors: Weijie Jack Zhang
Date: 2023-06-21 00:00:00
Tasks: Language Modeling, Language Modelling, Masked Language Modeling, Minecraft

Enhancing AI systems with efficient communication skills that align with human understanding is crucial for their effective assistance to human users. Proactive initiatives from the system side are needed to discern specific circumstances and interact aptly with users to solve these scenarios. In this research, we opt for a collective building assignment taken from the Minecraft dataset. Our proposed method employs language modeling to enhance task understanding through state-of-the-art (SOTA) methods using language models. These models focus on grounding multi-modal understandinging and task-oriented dialogue comprehension tasks. This focus aids in gaining insights into how well these models interpret and respond to a variety of inputs and tasks. Our experimental results provide compelling evidence of the superiority of our proposed method. This showcases a substantial improvement and points towards a promising direction for future research in this domain.
Iterated Piecewise Affine (IPA) Approximation for Language Modeling
Authors: Davood Shamsi, Wen-Yu Hua, Brian Williams
Date: 2023-06-21 00:00:00
Tasks: Decoder, Language Modeling, Language Modelling

In this work, we demonstrate the application of a first-order Taylor expansion to approximate a generic function $F: R^{n \times m} \to R^{n \times m}$ and utilize it in language modeling. To enhance the basic Taylor expansion, we introduce iteration and piecewise modeling, leading us to name the algorithm the Iterative Piecewise Affine (IPA) approximation. The final algorithm exhibits interesting resemblances to the Transformers decoder architecture. By comparing parameter arrangements in IPA and Transformers, we observe a strikingly similar performance, with IPA outperforming Transformers by 1.5\% in the next token prediction task with cross-entropy loss for smaller sequence lengths.
Medical ministrations through web scraping
Authors: Niketha Sabesan, Nivethitha, J. N Shreyah, Pranauv A J, Shyam R
Date: 2023-06-21 00:00:00

Web scraping is a technique that allows us to extract data from websites automatically. in the field of medicine, web scraping can be used to collect information about medical procedures, treatments, and healthcare providers. this information can be used to improve patient care, monitor the quality of healthcare services, and identify areas for improvement. one area where web scraping can be particularly useful is in medical ministrations. medical ministrations are the actions taken to provide medical care to patients, and web scraping can help healthcare providers identify the most effective ministrations for their patients. for example, healthcare providers can use web scraping to collect data about the symptoms and medical histories of their patients, and then use this information to determine the most appropriate ministrations. they can also use web scraping to gather information about the latest medical research and clinical trials, which can help them stay up-to-date with the latest treatments and procedures.
Solving and Generating NPR Sunday Puzzles with Large Language Models
Authors: Jingmiao Zhao, Carolyn Jane Anderson
Date: 2023-06-21 00:00:00
Tasks: Multiple-choice, Prompt Engineering

We explore the ability of large language models to solve and generate puzzles from the NPR Sunday Puzzle game show using PUZZLEQA, a dataset comprising 15 years of on-air puzzles. We evaluate four large language models using PUZZLEQA, in both multiple choice and free response formats, and explore two prompt engineering techniques to improve free response performance: chain-of-thought reasoning and prompt summarization. We find that state-of-the-art large language models can solve many PUZZLEQA puzzles: the best model, GPT-3.5, achieves 50.2% loose accuracy. However, in our few-shot puzzle generation experiment, we find no evidence that models can generate puzzles: GPT-3.5 generates puzzles with answers that do not conform to the generated rules. Puzzle generation remains a challenging task for future work.
Bidirectional End-to-End Learning of Retriever-Reader Paradigm for Entity Linking
Authors: Yinghui Li, Yong Jiang, Yangning Li, Xingyu Lu, Pengjun Xie, Ying Shen, Hai-Tao Zheng
Date: 2023-06-21 00:00:00
Tasks: Entity Linking, Entity Retrieval, Knowledge Graphs, Machine Reading Comprehension, Reading Comprehension, Retrieval

Entity Linking (EL) is a fundamental task for Information Extraction and Knowledge Graphs. The general form of EL (i.e., end-to-end EL) aims to first find mentions in the given input document and then link the mentions to corresponding entities in a specific knowledge base. Recently, the paradigm of retriever-reader promotes the progress of end-to-end EL, benefiting from the advantages of dense entity retrieval and machine reading comprehension. However, the existing study only trains the retriever and the reader separately in a pipeline manner, which ignores the benefit that the interaction between the retriever and the reader can bring to the task. To advance the retriever-reader paradigm to perform more perfectly on end-to-end EL, we propose BEER$^2$, a Bidirectional End-to-End training framework for Retriever and Reader. Through our designed bidirectional end-to-end training, BEER$^2$ guides the retriever and the reader to learn from each other, make progress together, and ultimately improve EL performance. Extensive experiments on benchmarks of multiple domains demonstrate the effectiveness of our proposed BEER$^2$.
Limits for Learning with Language Models
Authors: Nicholas Asher, Swarnadeep Bhar, Akshay Chaturvedi, Julie Hunter, Soumya Paul
Date: 2023-06-21 00:00:00

With the advent of large language models (LLMs), the trend in NLP has been to train LLMs on vast amounts of data to solve diverse language understanding and generation tasks. The list of LLM successes is long and varied. Nevertheless, several recent papers provide empirical evidence that LLMs fail to capture important aspects of linguistic meaning. Focusing on universal quantification, we provide a theoretical foundation for these empirical findings by proving that LLMs cannot learn certain fundamental semantic properties including semantic entailment and consistency as they are defined in formal semantics. More generally, we show that LLMs are unable to learn concepts beyond the first level of the Borel Hierarchy, which imposes severe limits on the ability of LMs, both large and small, to capture many aspects of linguistic meaning. This means that LLMs will continue to operate without formal guarantees on tasks that require entailments and deep linguistic understanding.