pwc-archive/papers-with-abstracts huggingface dataset:
Cost-Effective Methodology for Complex Tuning Searches in HPC: Navigating Interdependencies and Dimensionality
Authors: Adrian Perez Dieguez, Min Choi, Mahmut Okyay, Mauro Del Ben, Bryan M. Wong, Khaled Z. Ibrahim
Date: 2024-03-12 00:00:00
Tasks: Bayesian Optimization, GPU

Tuning searches are pivotal in High-Performance Computing (HPC), addressing complex optimization challenges in computational applications. The complexity arises not only from finely tuning parameters within routines but also potential interdependencies among them, rendering traditional optimization methods inefficient. Instead of scrutinizing interdependencies among parameters and routines, practitioners often face the dilemma of conducting independent tuning searches for each routine, thereby overlooking interdependence, or pursuing a more resource-intensive joint search for all routines. This decision is driven by the consideration that some interdependence analysis and high-dimensional decomposition techniques in literature may be prohibitively expensive in HPC tuning searches. Our methodology adapts and refines these methods to ensure computational feasibility while maximizing performance gains in real-world scenarios. Our methodology leverages a cost-effective interdependence analysis to decide whether to merge several tuning searches into a joint search or conduct orthogonal searches. Tested on synthetic functions with varying levels of parameter interdependence, our methodology efficiently explores the search space. In comparison to Bayesian-optimization-based full independent or fully joint searches, our methodology suggested an optimized breakdown of independent and merged searches that led to final configurations up to 8% more accurate, reducing the search time by up to 95%. When applied to GPU-offloaded Real-Time Time-Dependent Density Functional Theory (RT-TDDFT), an application in computational materials science that challenges modern HPC autotuners, our methodology achieved an effective tuning search. Its adaptability and efficiency extend beyond RT-TDDFT, making it valuable for related applications in HPC.
Early Directional Convergence in Deep Homogeneous Neural Networks for Small Initializations
Authors: Akshay Kumar, Jarvis Haupt
Date: 2024-03-12 00:00:00

This paper studies the gradient flow dynamics that arise when training deep homogeneous neural networks assumed to have locally Lipschitz gradients and an order of homogeneity strictly greater than two. It is shown here that for sufficiently small initializations, during the early stages of training, the weights of the neural network remain small in (Euclidean) norm and approximately converge in direction to the Karush-Kuhn-Tucker (KKT) points of the recently introduced neural correlation function. Additionally, this paper also studies the KKT points of the neural correlation function for feed-forward networks with (Leaky) ReLU and polynomial (Leaky) ReLU activations, deriving necessary and sufficient conditions for rank-one KKT points.
Efficient Language Model Architectures for Differentially Private Federated Learning
Authors: Jae Hun Ro, Srinadh Bhojanapalli, Zheng Xu, Yanxiang Zhang, Ananda Theertha Suresh
Date: 2024-03-12 00:00:00
Tasks: Computational Efficiency, Federated Learning, Language Modeling, Language Modelling

Cross-device federated learning (FL) is a technique that trains a model on data distributed across typically millions of edge devices without data leaving the devices. SGD is the standard client optimizer for on device training in cross-device FL, favored for its memory and computational efficiency. However, in centralized training of neural language models, adaptive optimizers are preferred as they offer improved stability and performance. In light of this, we ask if language models can be modified such that they can be efficiently trained with SGD client optimizers and answer this affirmatively. We propose a scale-invariant Coupled Input Forget Gate (SI CIFG) recurrent network by modifying the sigmoid and tanh activations in the recurrent cell and show that this new model converges faster and achieves better utility than the standard CIFG recurrent model in cross-device FL in large scale experiments. We further show that the proposed scale invariant modification also helps in federated learning of larger transformer models. Finally, we demonstrate the scale invariant modification is also compatible with other non-adaptive algorithms. Particularly, our results suggest an improved privacy utility trade-off in federated learning with differential privacy.
CHAI: Clustered Head Attention for Efficient LLM Inference
Authors: Saurabh Agarwal, Bilge Acun, Basil Hosmer, Mostafa Elhoushi, Yejin Lee, Shivaram Venkataraman, Dimitris Papailiopoulos, Carole-Jean Wu
Date: 2024-03-12 00:00:00

Large Language Models (LLMs) with hundreds of billions of parameters have transformed the field of machine learning. However, serving these models at inference time is both compute and memory intensive, where a single request can require multiple GPUs and tens of Gigabytes of memory. Multi-Head Attention is one of the key components of LLMs, which can account for over 50% of LLMs memory and compute requirement. We observe that there is a high amount of redundancy across heads on which tokens they pay attention to. Based on this insight, we propose Clustered Head Attention (CHAI). CHAI combines heads with a high amount of correlation for self-attention at runtime, thus reducing both memory and compute. In our experiments, we show that CHAI is able to reduce the memory requirements for storing K,V cache by up to 21.4% and inference time latency by up to 1.73x without any fine-tuning required. CHAI achieves this with a maximum 3.2% deviation in accuracy across 3 different models (i.e. OPT-66B, LLAMA-7B, LLAMA-33B) and 5 different evaluation datasets.
DrivAerNet: A Parametric Car Dataset for Data-Driven Aerodynamic Design and Prediction
Authors: Mohamed Elrefaie, Angela Dai, Faez Ahmed
Date: 2024-03-12 00:00:00

This study introduces DrivAerNet, a large-scale high-fidelity CFD dataset of 3D industry-standard car shapes, and RegDGCNN, a dynamic graph convolutional neural network model, both aimed at aerodynamic car design through machine learning. DrivAerNet, with its 4000 detailed 3D car meshes using 0.5 million surface mesh faces and comprehensive aerodynamic performance data comprising of full 3D pressure, velocity fields, and wall-shear stresses, addresses the critical need for extensive datasets to train deep learning models in engineering applications. It is 60\% larger than the previously available largest public dataset of cars, and is the only open-source dataset that also models wheels and underbody. RegDGCNN leverages this large-scale dataset to provide high-precision drag estimates directly from 3D meshes, bypassing traditional limitations such as the need for 2D image rendering or Signed Distance Fields (SDF). By enabling fast drag estimation in seconds, RegDGCNN facilitates rapid aerodynamic assessments, offering a substantial leap towards integrating data-driven methods in automotive design. Together, DrivAerNet and RegDGCNN promise to accelerate the car design process and contribute to the development of more efficient cars. To lay the groundwork for future innovations in the field, the dataset and code used in our study are publicly accessible at https://github.com/Mohamedelrefaie/DrivAerNet.
Low-Energy On-Device Personalization for MCUs
Authors: Yushan Huang, Ranya Aloufi, Xavier Cadet, Yuchen Zhao, Payam Barnaghi, Hamed Haddadi
Date: 2024-03-12 00:00:00
Tasks: Knowledge Distillation, Transfer Learning

Microcontroller Units (MCUs) are ideal platforms for edge applications due to their low cost and energy consumption, and are widely used in various applications, including personalized machine learning tasks, where customized models can enhance the task adaptation. However, existing approaches for local on-device personalization mostly support simple ML architectures or require complex local pre-training/training, leading to high energy consumption and negating the low-energy advantage of MCUs. In this paper, we introduce $MicroT$, an efficient and low-energy MCU personalization approach. $MicroT$ includes a robust, general, but tiny feature extractor, developed through self-supervised knowledge distillation, which trains a task-specific head to enable independent on-device personalization with minimal energy and computational requirements. MicroT implements an MCU-optimized early-exit inference mechanism called stage-decision to further reduce energy costs. This mechanism allows for user-configurable exit criteria (stage-decision ratio) to adaptively balance energy cost with model performance. We evaluated MicroT using two models, three datasets, and two MCU boards. $MicroT$ outperforms traditional transfer learning (TTL) and two SOTA approaches by 2.12 - 11.60% across two models and three datasets. Targeting widely used energy-aware edge devices, MicroT's on-device training requires no additional complex operations, halving the energy cost compared to SOTA approaches by up to 2.28X while keeping SRAM usage below 1MB. During local inference, MicroT reduces energy cost by 14.17% compared to TTL across two boards and two datasets, highlighting its suitability for long-term use on energy-aware resource-constrained MCUs.
McCatch: Scalable Microcluster Detection in Dimensional and Nondimensional Datasets
Authors: Braulio V. Sánchez Vinces, Robson L. F. Cordeiro, Christos Faloutsos
Date: 2024-03-12 00:00:00

How could we have an outlier detector that works even with nondimensional data, and ranks together both singleton microclusters ('one-off' outliers) and nonsingleton microclusters by their anomaly scores? How to obtain scores that are principled in one scalable and 'hands-off' manner? Microclusters of outliers indicate coalition or repetition in fraud activities, etc.; their identification is thus highly desirable. This paper presents McCatch: a new algorithm that detects microclusters by leveraging our proposed 'Oracle' plot (1NN Distance versus Group 1NN Distance). We study 31 real and synthetic datasets with up to 1M data elements to show that McCatch is the only method that answers both of the questions above; and, it outperforms 11 other methods, especially when the data has nonsingleton microclusters or is nondimensional. We also showcase McCatch's ability to detect meaningful microclusters in graphs, fingerprints, logs of network connections, text data, and satellite imagery. For example, it found a 30-elements microcluster of confirmed 'Denial of Service' attacks in the network logs, taking only ~3 minutes for 222K data elements on a stock desktop.
xMLP: Revolutionizing Private Inference with Exclusive Square Activation
Authors: Jiajie Li, JinJun Xiong
Date: 2024-03-12 00:00:00
Tasks: GPU

Private Inference (PI) enables deep neural networks (DNNs) to work on private data without leaking sensitive information by exploiting cryptographic primitives such as multi-party computation (MPC) and homomorphic encryption (HE). However, the use of non-linear activations such as ReLU in DNNs can lead to impractically high PI latency in existing PI systems, as ReLU requires the use of costly MPC computations, such as Garbled Circuits. Since square activations can be processed by Beaver's triples hundreds of times faster compared to ReLU, they are more friendly to PI tasks, but using them leads to a notable drop in model accuracy. This paper starts by exploring the reason for such an accuracy drop after using square activations, and concludes that this is due to an "information compounding" effect. Leveraging this insight, we propose xMLP, a novel DNN architecture that uses square activations exclusively while maintaining parity in both accuracy and efficiency with ReLU-based DNNs. Our experiments on CIFAR-100 and ImageNet show that xMLP models consistently achieve better performance than ResNet models with fewer activation layers and parameters while maintaining consistent performance with its ReLU-based variants. Remarkably, when compared to state-of-the-art PI Models, xMLP demonstrates superior performance, achieving a 0.58% increase in accuracy with 7x faster PI speed. Moreover, it delivers a significant accuracy improvement of 4.96% while maintaining the same PI latency. When offloading PI to the GPU, xMLP is up to 700x faster than the previous state-of-the-art PI model with comparable accuracy.
Supervised Time Series Classification for Anomaly Detection in Subsea Engineering
Authors: Ergys Çokaj, Halvor Snersrud Gustad, Andrea Leone, Per Thomas Moe, Lasse Moldestad
Date: 2024-03-12 00:00:00
Tasks: Anomaly Detection, Classification, Decision Making, Dimensionality Reduction, Time Series, Time Series Classification

Time series classification is of significant importance in monitoring structural systems. In this work, we investigate the use of supervised machine learning classification algorithms on simulated data based on a physical system with two states: Intact and Broken. We provide a comprehensive discussion of the preprocessing of temporal data, using measures of statistical dispersion and dimension reduction techniques. We present an intuitive baseline method and discuss its efficiency. We conclude with a comparison of the various methods based on different performance metrics, showing the advantage of using machine learning techniques as a tool in decision making.
Motifs, Phrases, and Beyond: The Modelling of Structure in Symbolic Music Generation
Authors: Keshav Bhandari, Simon Colton
Date: 2024-03-12 00:00:00
Tasks: Music Generation

Modelling musical structure is vital yet challenging for artificial intelligence systems that generate symbolic music compositions. This literature review dissects the evolution of techniques for incorporating coherent structure, from symbolic approaches to foundational and transformative deep learning methods that harness the power of computation and data across a wide variety of training paradigms. In the later stages, we review an emerging technique which we refer to as "sub-task decomposition" that involves decomposing music generation into separate high-level structural planning and content creation stages. Such systems incorporate some form of musical knowledge or neuro-symbolic methods by extracting melodic skeletons or structural templates to guide the generation. Progress is evident in capturing motifs and repetitions across all three eras reviewed, yet modelling the nuanced development of themes across extended compositions in the style of human composers remains difficult. We outline several key future directions to realize the synergistic benefits of combining approaches from all eras examined.
LiveCodeBench: Holistic and Contamination Free Evaluation of Large Language Models for Code
Authors: Naman jain, King Han, Alex Gu, Wen-Ding Li, Fanjia Yan, Tianjun Zhang, Sida Wang, Armando Solar-Lezama, Koushik Sen, Ion Stoica
Date: 2024-03-12 00:00:00
Tasks: Code Generation, HumanEval, mbpp

Large Language Models (LLMs) applied to code-related applications have emerged as a prominent field, attracting significant interest from both academia and industry. However, as new and improved LLMs are developed, existing evaluation benchmarks (e.g., HumanEval, MBPP) are no longer sufficient for assessing their capabilities. In this work, we propose LiveCodeBench, a comprehensive and contamination-free evaluation of LLMs for code, which continuously collects new problems over time from contests across three competition platforms, namely LeetCode, AtCoder, and CodeForces. Notably, our benchmark also focuses on a broader range of code related capabilities, such as self-repair, code execution, and test output prediction, beyond just code generation. Currently, LiveCodeBench hosts four hundred high-quality coding problems that were published between May 2023 and May 2024. We have evaluated 18 base LLMs and 34 instruction-tuned LLMs on LiveCodeBench. We present empirical findings on contamination, holistic performance comparisons, potential overfitting in existing benchmarks as well as individual model comparisons. We will release all prompts and model completions for further community analysis, along with a general toolkit for adding new scenarios and model
Feasibility of machine learning-based rice yield prediction in India at the district level using climate reanalysis data
Authors: Djavan De Clercq, Adam Mahdi
Date: 2024-03-12 00:00:00

Yield forecasting, the science of predicting agricultural productivity before the crop harvest occurs, helps a wide range of stakeholders make better decisions around agricultural planning. This study aims to investigate whether machine learning-based yield prediction models can capably predict Kharif season rice yields at the district level in India several months before the rice harvest takes place. The methodology involved training 19 machine learning models such as CatBoost, LightGBM, Orthogonal Matching Pursuit, and Extremely Randomized Trees on 20 years of climate, satellite, and rice yield data across 247 of Indian rice-producing districts. In addition to model-building, a dynamic dashboard was built understand how the reliability of rice yield predictions varies across districts. The results of the proof-of-concept machine learning pipeline demonstrated that rice yields can be predicted with a reasonable degree of accuracy, with out-of-sample R2, MAE, and MAPE performance of up to 0.82, 0.29, and 0.16 respectively. These results outperformed test set performance reported in related literature on rice yield modeling in other contexts and countries. In addition, SHAP value analysis was conducted to infer both the importance and directional impact of the climate and remote sensing variables included in the model. Important features driving rice yields included temperature, soil water volume, and leaf area index. In particular, higher temperatures in August correlate with increased rice yields, particularly when the leaf area index in August is also high. Building on the results, a proof-of-concept dashboard was developed to allow users to easily explore which districts may experience a rise or fall in yield relative to the previous year.
Applying ranking techniques for estimating influence of Earth variables on temperature forecast error
Authors: M. Julia Flores, Melissa Ruiz-Vásquez, Ana Bastos, René Orth
Date: 2024-03-12 00:00:00

This paper describes how to analyze the influence of Earth system variables on the errors when providing temperature forecasts. The initial framework to get the data has been based on previous research work, which resulted in a very interesting discovery. However, the aforementioned study only worked on individual correlations of the variables with respect to the error. This research work is going to re-use the main ideas but introduce three main novelties: (1) applying a data science approach by a few representative locations; (2) taking advantage of the rankings created by Spearman correlation but enriching them with other metrics looking for a more robust ranking of the variables; (3) evaluation of the methodology by learning random forest models for regression with the distinct experimental variations. The main contribution is the framework that shows how to convert correlations into rankings and combine them into an aggregate ranking. We have carried out experiments on five chosen locations to analyze the behavior of this ranking-based methodology. The results show that the specific performance is dependent on the location and season, which is expected, and that this selection technique works properly with Random Forest models but can also improve simpler regression models such as Bayesian Ridge. This work also contributes with an extensive analysis of the results. We can conclude that this selection based on the top-k ranked variables seems promising for this real problem, and it could also be applied in other domains.
Unsupervised self-organising map of prostate cell Raman spectra shows disease-state subclustering
Authors: Daniel West, Susan Stepney, Y. Hancock
Date: 2024-03-12 00:00:00

Prostate cancer is a disease which poses an interesting clinical question: should it be treated? A small subset of prostate cancers are aggressive and require removal and treatment to prevent metastatic spread. However, conventional diagnostics remain challenged to risk-stratify such patients, hence, new methods of approach to biomolecularly subclassify the disease are needed. Here we use an unsupervised, self-organising map approach to analyse live-cell Raman spectroscopy data obtained from prostate cell-lines; our aim is to test the feasibility of this method to differentiate, at the single-cell-level, cancer from normal using high-dimensional datasets with minimal preprocessing. The results demonstrate not only successful separation of normal prostate and cancer cells, but also a new subclustering of the prostate cancer cell-line into two groups. Initial analysis of the spectra from each of the cancer subclusters demonstrates a differential expression of lipids, which, against the normal control, may be linked to disease-related changes in cellular signalling.
Optimizing Polynomial Graph Filters: A Novel Adaptive Krylov Subspace Approach
Authors: Keke Huang, Wencai Cao, Hoang Ta, Xiaokui Xiao, Pietro Liò
Date: 2024-03-12 00:00:00

Graph Neural Networks (GNNs), known as spectral graph filters, find a wide range of applications in web networks. To bypass eigendecomposition, polynomial graph filters are proposed to approximate graph filters by leveraging various polynomial bases for filter training. However, no existing studies have explored the diverse polynomial graph filters from a unified perspective for optimization. In this paper, we first unify polynomial graph filters, as well as the optimal filters of identical degrees into the Krylov subspace of the same order, thus providing equivalent expressive power theoretically. Next, we investigate the asymptotic convergence property of polynomials from the unified Krylov subspace perspective, revealing their limited adaptability in graphs with varying heterophily degrees. Inspired by those facts, we design a novel adaptive Krylov subspace approach to optimize polynomial bases with provable controllability over the graph spectrum so as to adapt various heterophily graphs. Subsequently, we propose AdaptKry, an optimized polynomial graph filter utilizing bases from the adaptive Krylov subspaces. Meanwhile, in light of the diverse spectral properties of complex graphs, we extend AdaptKry by leveraging multiple adaptive Krylov bases without incurring extra training costs. As a consequence, extended AdaptKry is able to capture the intricate characteristics of graphs and provide insights into their inherent complexity. We conduct extensive experiments across a series of real-world datasets. The experimental results demonstrate the superior filtering capability of AdaptKry, as well as the optimized efficacy of the adaptive Krylov basis.