pwc-archive/papers-with-abstracts huggingface dataset:
SiHGNN: Leveraging Properties of Semantic Graphs for Efficient HGNN Acceleration
Authors: Runzhen Xue, Mingyu Yan, Dengke Han, Zhimin Tang, Xiaochun Ye, Dongrui Fan
Date: 2024-08-27 00:00:00
Tasks: Graph Generation, Graph Representation Learning, Recommendation Systems, Representation Learning, Scheduling

Heterogeneous Graph Neural Networks (HGNNs) have expanded graph representation learning to heterogeneous graph fields. Recent studies have demonstrated their superior performance across various applications, including medical analysis and recommendation systems, often surpassing existing methods. However, GPUs often experience inefficiencies when executing HGNNs due to their unique and complex execution patterns. Compared to traditional Graph Neural Networks, these patterns further exacerbate irregularities in memory access. To tackle these challenges, recent studies have focused on developing domain-specific accelerators for HGNNs. Nonetheless, most of these efforts have concentrated on optimizing the datapath or scheduling data accesses, while largely overlooking the potential benefits that could be gained from leveraging the inherent properties of the semantic graph, such as its topology, layout, and generation. In this work, we focus on leveraging the properties of semantic graphs to enhance HGNN performance. First, we analyze the Semantic Graph Build (SGB) stage and identify significant opportunities for data reuse during semantic graph generation. Next, we uncover the phenomenon of buffer thrashing during the Graph Feature Processing (GFP) stage, revealing potential optimization opportunities in semantic graph layout. Furthermore, we propose a lightweight hardware accelerator frontend for HGNNs, called SiHGNN. This accelerator frontend incorporates a tree-based Semantic Graph Builder for efficient semantic graph generation and features a novel Graph Restructurer for optimizing semantic graph layouts. Experimental results show that SiHGNN enables the state-of-the-art HGNN accelerator to achieve an average performance improvement of 2.95$\times$.
The Benefits of Balance: From Information Projections to Variance Reduction
Authors: Lang Liu, Ronak Mehta, Soumik Pal, Zaid Harchaoui
Date: 2024-08-27 00:00:00
Tasks: Clustering, Representation Learning

Data balancing across multiple modalities and sources appears in various forms in foundation models in machine learning and AI, e.g. in CLIP and DINO. We show that data balancing across modalities and sources actually offers an unsuspected benefit: variance reduction. We present a non-asymptotic statistical bound that quantifies this variance reduction effect and relates it to the eigenvalue decay of Markov operators. Furthermore, we describe how various forms of data balancing in contrastive multimodal learning and self-supervised clustering can be better understood, and even improved upon, owing to our variance reduction viewpoint.
Subgroup Analysis via Model-based Rule Forest
Authors: I-Ling Cheng, Chan Hsu, Chantung Ku, Pei-Ju Lee, Yihuang Kang
Date: 2024-08-27 00:00:00
Tasks: Decision Making, Interpretable Machine Learning, model, Model Optimization, Representation Learning

Machine learning models are often criticized for their black-box nature, raising concerns about their applicability in critical decision-making scenarios. Consequently, there is a growing demand for interpretable models in such contexts. In this study, we introduce Model-based Deep Rule Forests (mobDRF), an interpretable representation learning algorithm designed to extract transparent models from data. By leveraging IF-THEN rules with multi-level logic expressions, mobDRF enhances the interpretability of existing models without compromising accuracy. We apply mobDRF to identify key risk factors for cognitive decline in an elderly population, demonstrating its effectiveness in subgroup analysis and local model optimization. Our method offers a promising solution for developing trustworthy and interpretable machine learning models, particularly valuable in fields like healthcare, where understanding differential effects across patient subgroups can lead to more personalized and effective treatments.
Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning
Authors: Sakhinana Sagar Srinivas, Venkataramana Runkana
Date: 2024-08-27 00:00:00
Tasks: Few-Shot Learning, Property Prediction

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning methods face limitations that curb their expressive power. To address this, we explore the integration of vast molecular domain knowledge from Large Language Models (LLMs) with the complementary strengths of Graph Neural Networks (GNNs) to enhance performance in property prediction tasks. We introduce a Multi-Modal Fusion (MMF) framework that synergistically harnesses the analytical prowess of GNNs and the linguistic generative and predictive abilities of LLMs, thereby improving accuracy and robustness in predicting molecular properties. Our framework combines the effectiveness of GNNs in modeling graph-structured data with the zero-shot and few-shot learning capabilities of LLMs, enabling improved predictions while reducing the risk of overfitting. Furthermore, our approach effectively addresses distributional shifts, a common challenge in real-world applications, and showcases the efficacy of learning cross-modal representations, surpassing state-of-the-art baselines on benchmark datasets for property prediction tasks.
Domain-decoupled Physics-informed Neural Networks with Closed-form Gradients for Fast Model Learning of Dynamical Systems
Authors: Henrik Krauss, Tim-Lukas Habich, Max Bartholdt, Thomas Seel, Moritz Schappler
Date: 2024-08-27 00:00:00
Tasks: Form, Numerical Integration, Prediction, State Space Models

Physics-informed neural networks (PINNs) are trained using physical equations and can also incorporate unmodeled effects by learning from data. PINNs for control (PINCs) of dynamical systems are gaining interest due to their prediction speed compared to classical numerical integration methods for nonlinear state-space models, making them suitable for real-time control applications. We introduce the domain-decoupled physics-informed neural network (DD-PINN) to address current limitations of PINC in handling large and complex nonlinear dynamical systems. The time domain is decoupled from the feed-forward neural network to construct an Ansatz function, allowing for calculation of gradients in closed form. This approach significantly reduces training times, especially for large dynamical systems, compared to PINC, which relies on graph-based automatic differentiation. Additionally, the DD-PINN inherently fulfills the initial condition and supports higher-order excitation inputs, simplifying the training process and enabling improved prediction accuracy. Validation on three systems - a nonlinear mass-spring-damper, a five-mass-chain, and a two-link robot - demonstrates that the DD-PINN achieves significantly shorter training times. In cases where the PINC's prediction diverges, the DD-PINN's prediction remains stable and accurate due to higher physics loss reduction or use of a higher-order excitation input. The DD-PINN allows for fast and accurate learning of large dynamical systems previously out of reach for the PINC.
Targeting the partition function of chemically disordered materials with a generative approach based on inverse variational autoencoders
Authors: Maciej J. Karcz, Luca Messina, Eiji Kawasaki, Emeric Bourasseau
Date: 2024-08-27 00:00:00
Tasks: Active Learning, Decoder, Efficient Exploration

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an excessive amount of configurations or do not ensure that the configuration space has been properly covered. In this work, we propose a novel approach where generative machine learning is used to yield a representative set of configurations for accurate property evaluation and provide accurate estimations of atomic-scale properties with minimal computational cost. Our method employs a specific type of variational autoencoder with inverse roles for the encoder and decoder, enabling the application of an unsupervised active learning scheme that does not require any initial training database. The model iteratively generates configuration batches, whose properties are computed with conventional atomic-scale methods. These results are then fed back into the model to estimate the partition function, repeating the process until convergence. We illustrate our approach by computing point-defect formation energies and concentrations in (U, Pu)O2 mixed-oxide fuels. In addition, the ML model provides valuable insights into the physical factors influencing the target property. Our method is generally applicable to explore other properties, such as atomic-scale diffusion coefficients, in ideally or non-ideally disordered materials like high-entropy alloys.
Can Transformers Do Enumerative Geometry?
Authors: Baran Hashemi, Roderic G. Corominas, Alessandro Giacchetto
Date: 2024-08-27 00:00:00
Tasks: Activation Function Synthesis, Causal Inference, Conformal Prediction, Inductive Bias, regression, scientific discovery, Time Series

How can Transformers model and learn enumerative geometry? What is a robust procedure for using Transformers in abductive knowledge discovery within a mathematician-machine collaboration? In this work, we introduce a Transformer-based approach to computational enumerative geometry, specifically targeting the computation of $\psi$-class intersection numbers on the moduli space of curves. By reformulating the problem as a continuous optimization task, we compute intersection numbers across a wide value range from $10^{-45}$ to $10^{45}$. To capture the recursive nature inherent in these intersection numbers, we propose the Dynamic Range Activator (DRA), a new activation function that enhances the Transformer's ability to model recursive patterns and handle severe heteroscedasticity. Given precision requirements for computing the intersections, we quantify the uncertainty of the predictions using Conformal Prediction with a dynamic sliding window adaptive to the partitions of equivalent number of marked points. To the best of our knowledge, there has been no prior work on modeling recursive functions with such a high-variance and factorial growth. Beyond simply computing intersection numbers, we explore the enumerative "world-model" of Transformers. Our interpretability analysis reveals that the network is implicitly modeling the Virasoro constraints in a purely data-driven manner. Moreover, through abductive hypothesis testing, probing, and causal inference, we uncover evidence of an emergent internal representation of the the large-genus asymptotic of $\psi$-class intersection numbers. These findings suggest that the network internalizes the parameters of the asymptotic closed-form and the polynomiality phenomenon of intersection numbers in a non-linear manner. This opens up new possibilities in inferring asymptotic closed-form expressions directly from limited amount of data.
SpikingSSMs: Learning Long Sequences with Sparse and Parallel Spiking State Space Models
Authors: Shuaijie Shen, Chao Wang, Renzhuo Huang, Yan Zhong, Qinghai Guo, Zhichao Lu, JianGuo Zhang, Luziwei Leng
Date: 2024-08-27 00:00:00
Tasks: Language Modeling, Language Modelling, State Space Models

Known as low energy consumption networks, spiking neural networks (SNNs) have gained a lot of attention within the past decades. While SNNs are increasing competitive with artificial neural networks (ANNs) for vision tasks, they are rarely used for long sequence tasks, despite their intrinsic temporal dynamics. In this work, we develop spiking state space models (SpikingSSMs) for long sequence learning by leveraging on the sequence learning abilities of state space models (SSMs). Inspired by dendritic neuron structure, we hierarchically integrate neuronal dynamics with the original SSM block, meanwhile realizing sparse synaptic computation. Furthermore, to solve the conflict of event-driven neuronal dynamics with parallel computing, we propose a light-weight surrogate dynamic network which accurately predicts the after-reset membrane potential and compatible to learnable thresholds, enabling orders of acceleration in training speed compared with conventional iterative methods. On the long range arena benchmark task, SpikingSSM achieves competitive performance to state-of-the-art SSMs meanwhile realizing on average 90\% of network sparsity. On language modeling, our network significantly surpasses existing spiking large language models (spikingLLMs) on the WikiText-103 dataset with only a third of the model size, demonstrating its potential as backbone architecture for low computation cost LLMs.
Development of Large Annotated Music Datasets using HMM-based Forced Viterbi Alignment
Authors: S. Johanan Joysingh, P. Vijayalakshmi, T. Nagarajan
Date: 2024-08-27 00:00:00
Tasks: Music Transcription

Datasets are essential for any machine learning task. Automatic Music Transcription (AMT) is one such task, where considerable amount of data is required depending on the way the solution is achieved. Considering the fact that a music dataset, complete with audio and its time-aligned transcriptions would require the effort of people with musical experience, it could be stated that the task becomes even more challenging. Musical experience is required in playing the musical instrument(s), and in annotating and verifying the transcriptions. We propose a method that would help in streamlining this process, making the task of obtaining a dataset from a particular instrument easy and efficient. We use predefined guitar exercises and hidden Markov model(HMM) based forced viterbi alignment to accomplish this. The guitar exercises are designed to be simple. Since the note sequence are already defined, HMM based forced viterbi alignment provides time-aligned transcriptions of these audio files. The onsets of the transcriptions are manually verified and the labels are accurate up to 10ms, averaging at 5ms. The contributions of the proposed work is two fold, i) a well streamlined and efficient method for generating datasets for any instrument, especially monophonic and, ii) an acoustic plectrum guitar dataset containing wave files and transcriptions in the form of label files. This method will aid as a preliminary step towards building concrete datasets for building AMT systems for different instruments.
Turbine location-aware multi-decadal wind power predictions for Germany using CMIP6
Authors: Nina Effenberger, Nicole Ludwig
Date: 2024-08-27 00:00:00
Tasks: Gaussian Processes

Climate change will impact wind and therefore wind power generation with largely unknown effect and magnitude. Climate models can provide insights and should be used for long-term power planning. In this work we use Gaussian processes to predict power output given wind speeds from a global climate model and compare the aggregated predictions to actual power generation. Analyzing past climate model data supports the use of CMIP6 climate model data for multi-decadal wind power predictions and highlights the importance of being location-aware. Our predictions up to 2050 reveal only minor changes in yearly wind power generation. We find that wind power projections of the two in-between climate scenarios SSP2-4.5 and SSP3-7.0 closely align with actual wind power generation between 2015 and 2023. Our analysis also reveals larger uncertainty associated with Germany's coastal areas in the North as compared to Germany's South, motivating wind power expansion in regions where future wind is likely more reliable. Overall, our results indicate that wind energy will likely remain a reliable energy source in the future.
Literary and Colloquial Dialect Identification for Tamil using Acoustic Features
Authors: M. Nanmalar, P. Vijayalakshmi, T. Nagarajan
Date: 2024-08-27 00:00:00
Tasks: Automatic Speech Recognition, Dialect Identification, Language Identification, speech-recognition, Speech Recognition, Speech Synthesis

The evolution and diversity of a language is evident from it's various dialects. If the various dialects are not addressed in technological advancements like automatic speech recognition and speech synthesis, there is a chance that these dialects may disappear. Speech technology plays a role in preserving various dialects of a language from going extinct. In order to build a full fledged automatic speech recognition system that addresses various dialects, an Automatic Dialect Identification (ADI) system acting as the front end is required. This is similar to how language identification systems act as front ends to automatic speech recognition systems that handle multiple languages. The current work proposes a way to identify two popular and broadly classified Tamil dialects, namely literary and colloquial Tamil. Acoustical characteristics rather than phonetics and phonotactics are used, alleviating the requirement of language-dependant linguistic tools. Hence one major advantage of the proposed method is that it does not require an annotated corpus, hence it can be easily adapted to other languages. Gaussian Mixture Models (GMM) using Mel Frequency Cepstral Coefficient (MFCC) features are used to perform the classification task. The experiments yielded an error rate of 12%. Vowel nasalization, as being the reason for this good performance, is discussed. The number of mixture models for the GMM is varied and the performance is analysed.
Advancing Adversarial Suffix Transfer Learning on Aligned Large Language Models
Authors: Hongfu Liu, Yuxi Xie, Ye Wang, Michael Shieh
Date: 2024-08-27 00:00:00
Tasks: Red Teaming, Transfer Learning

Language Language Models (LLMs) face safety concerns due to potential misuse by malicious users. Recent red-teaming efforts have identified adversarial suffixes capable of jailbreaking LLMs using the gradient-based search algorithm Greedy Coordinate Gradient (GCG). However, GCG struggles with computational inefficiency, limiting further investigations regarding suffix transferability and scalability across models and data. In this work, we bridge the connection between search efficiency and suffix transferability. We propose a two-stage transfer learning framework, DeGCG, which decouples the search process into behavior-agnostic pre-searching and behavior-relevant post-searching. Specifically, we employ direct first target token optimization in pre-searching to facilitate the search process. We apply our approach to cross-model, cross-data, and self-transfer scenarios. Furthermore, we introduce an interleaved variant of our approach, i-DeGCG, which iteratively leverages self-transferability to accelerate the search process. Experiments on HarmBench demonstrate the efficiency of our approach across various models and domains. Notably, our i-DeGCG outperforms the baseline on Llama2-chat-7b with ASRs of $43.9$ ($+22.2$) and $39.0$ ($+19.5$) on valid and test sets, respectively. Further analysis on cross-model transfer indicates the pivotal role of first target token optimization in leveraging suffix transferability for efficient searching.
Data downlink prioritization using image classification on-board a 6U CubeSat
Authors: Keenan A. A. Chatar, Ezra Fielding, Kei Sano, Kentaro Kitamura
Date: 2024-08-27 00:00:00
Tasks: image-classification, Image Classification

Nanosatellites are proliferating as low-cost dedicated sensing systems with lean development cycles. Kyushu Institute of Technology and collaborators have launched a joint venture for a nanosatellite mission, VERTECS. The primary mission is to elucidate the formation history of stars by observing the optical-wavelength cosmic background radiation. The VERTECS satellite will be equipped with a small-aperture telescope and a high-precision attitude control system to capture the cosmic data for analysis on the ground. However, nanosatellites are limited by their onboard memory resources and downlink speed capabilities. Additionally, due to a limited number of ground stations, the satellite mission will face issues meeting the required data budget for mission success. To alleviate this issue, we propose an on-orbit system to autonomously classify and then compress desirable image data for data downlink prioritization and optimization. The system comprises a prototype Camera Controller Board (CCB) which carries a Raspberry Pi Compute Module 4 which is used for classification and compression. The system uses a lightweight Convolutional Neural Network (CNN) model to classify and determine the desirability of captured image data. The model is designed to be lean and robust to reduce the computational and memory load on the satellite. The model is trained and tested on a novel star field dataset consisting of data captured by the Sloan Digital Sky Survey (SDSS). The dataset is meant to simulate the expected data produced by the 6U satellite. The compression step implements GZip, RICE or HCOMPRESS compression, which are standards for astronomical data. Preliminary testing on the proposed CNN model results in a classification accuracy of about 100\% on the star field dataset, with compression ratios of 3.99, 5.16 and 5.43 for GZip, RICE and HCOMPRESS that were achieved on tested FITS image data.
Dynamic operator management in meta-heuristics using reinforcement learning: an application to permutation flowshop scheduling problems
Authors: Maryam Karimi Mamaghan, Mehrdad Mohammadi, Wout Dullaert, Daniele Vigo, Amir Pirayesh
Date: 2024-08-27 00:00:00
Tasks: Management, Q-Learning, Scheduling

This study develops a framework based on reinforcement learning to dynamically manage a large portfolio of search operators within meta-heuristics. Using the idea of tabu search, the framework allows for continuous adaptation by temporarily excluding less efficient operators and updating the portfolio composition during the search. A Q-learning-based adaptive operator selection mechanism is used to select the most suitable operator from the dynamically updated portfolio at each stage. Unlike traditional approaches, the proposed framework requires no input from the experts regarding the search operators, allowing domain-specific non-experts to effectively use the framework. The performance of the proposed framework is analyzed through an application to the permutation flowshop scheduling problem. The results demonstrate the superior performance of the proposed framework against state-of-the-art algorithms in terms of optimality gap and convergence speed.