pwc-archive/papers-with-abstracts huggingface dataset:
Unbiasing Enhanced Sampling on a High-dimensional Free Energy Surface with Deep Generative Model
Authors: YiKai Liu, Tushar K. Ghosh, Guang Lin, Ming Chen
Date: 2023-12-14 00:00:00
Tasks: Density Estimation

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires enhanced sampling on high-dimensional free energy surfaces. While methods like temperature-accelerated molecular dynamics (TAMD) can adopt many CVs in a simulation, unbiasing the simulation requires accurate modeling of a high-dimensional CV probability distribution, which is challenging for traditional density estimation techniques. Here we propose an unbiasing method based on the score-based diffusion model, a deep generative learning method that excels in density estimation across complex data landscapes. We test the score-based diffusion unbiasing method on TAMD simulations. The results demonstrate that this unbiasing approach significantly outperforms traditional unbiasing methods, and can generate accurate unbiased conformational ensembles for simulations with a number of CVs higher than usual ranges.
Physics-Informed Deep Learning of Rate-and-State Fault Friction
Authors: Cody Rucker, Brittany A. Erickson
Date: 2023-12-14 00:00:00
Tasks: Deep Learning, Friction

Direct observations of earthquake nucleation and propagation are few and yet the next decade will likely see an unprecedented increase in indirect, surface observations that must be integrated into modeling efforts. Machine learning (ML) excels in the presence of large data and is an actively growing field in seismology. However, not all ML methods incorporate rigorous physics, and purely data-driven models can predict physically unrealistic outcomes due to observational bias or extrapolation. Our work focuses on the recently emergent Physics-Informed Neural Network (PINN), which seamlessly integrates data while ensuring that model outcomes satisfy rigorous physical constraints. In this work we develop a multi-network PINN for both the forward problem as well as for direct inversion of nonlinear fault friction parameters, constrained by the physics of motion in the solid Earth, which have direct implications for assessing seismic hazard. We present the computational PINN framework for strike-slip faults in 1D and 2D subject to rate-and-state friction. Initial and boundary conditions define the data on which the PINN is trained. While the PINN is capable of approximating the solution to the governing equations to low-errors, our primary interest lies in the network's capacity to infer friction parameters during the training loop. We find that the network for the parameter inversion at the fault performs much better than the network for material displacements to which it is coupled. Additional training iterations and model tuning resolves this discrepancy, enabling a robust surrogate model for solving both forward and inverse problems relevant to seismic faulting.
Exploiting Symmetric Temporally Sparse BPTT for Efficient RNN Training
Authors: Xi Chen, Chang Gao, Zuowen Wang, Longbiao Cheng, Sheng Zhou, Shih-Chii Liu, Tobi Delbruck
Date: 2023-12-14 00:00:00
Tasks: Incremental Learning

Recurrent Neural Networks (RNNs) are useful in temporal sequence tasks. However, training RNNs involves dense matrix multiplications which require hardware that can support a large number of arithmetic operations and memory accesses. Implementing online training of RNNs on the edge calls for optimized algorithms for an efficient deployment on hardware. Inspired by the spiking neuron model, the Delta RNN exploits temporal sparsity during inference by skipping over the update of hidden states from those inactivated neurons whose change of activation across two timesteps is below a defined threshold. This work describes a training algorithm for Delta RNNs that exploits temporal sparsity in the backward propagation phase to reduce computational requirements for training on the edge. Due to the symmetric computation graphs of forward and backward propagation during training, the gradient computation of inactivated neurons can be skipped. Results show a reduction of $\sim$80% in matrix operations for training a 56k parameter Delta LSTM on the Fluent Speech Commands dataset with negligible accuracy loss. Logic simulations of a hardware accelerator designed for the training algorithm show 2-10X speedup in matrix computations for an activation sparsity range of 50%-90%. Additionally, we show that the proposed Delta RNN training will be useful for online incremental learning on edge devices with limited computing resources.
DSS: A Diverse Sample Selection Method to Preserve Knowledge in Class-Incremental Learning
Authors: Sahil Nokhwal, Nirman Kumar
Date: 2023-12-14 00:00:00
Tasks: class-incremental learning, Class Incremental Learning, Diversity, Incremental Learning

Rehearsal-based techniques are commonly used to mitigate catastrophic forgetting (CF) in Incremental learning (IL). The quality of the exemplars selected is important for this purpose and most methods do not ensure the appropriate diversity of the selected exemplars. We propose a new technique "DSS" -- Diverse Selection of Samples from the input data stream in the Class-incremental learning (CIL) setup under both disjoint and fuzzy task boundary scenarios. Our method outperforms state-of-the-art methods and is much simpler to understand and implement.
iOn-Profiler: intelligent Online multi-objective VNF Profiling with Reinforcement Learning
Authors: Xenofon Vasilakos, Shadi Moazzeni, Anderson Bravalheri, Pratchaya Jaisudthi, Reza Nejabati, Dimitra Simeonidou
Date: 2023-12-14 00:00:00
Tasks: CPU, reinforcement-learning, Reinforcement Learning (RL)

Leveraging the potential of Virtualised Network Functions (VNFs) requires a clear understanding of the link between resource consumption and performance. The current state of the art tries to do that by utilising Machine Learning (ML) and specifically Supervised Learning (SL) models for given network environments and VNF types assuming single-objective optimisation targets. Taking a different approach poses a novel VNF profiler optimising multi-resource type allocation and performance objectives using adapted Reinforcement Learning (RL). Our approach can meet Key Performance Indicator (KPI) targets while minimising multi-resource type consumption and optimising the VNF output rate compared to existing single-objective solutions. Our experimental evaluation with three real-world VNF types over a total of 39 study scenarios (13 per VNF), for three resource types (virtual CPU, memory, and network link capacity), verifies the accuracy of resource allocation predictions and corresponding successful profiling decisions via a benchmark comparison between our RL model and SL models. We also conduct a complementary exhaustive search-space study revealing that different resources impact performance in varying ways per VNF type, implying the necessity of multi-objective optimisation, individualised examination per VNF type, and adaptable online profile learning, such as with the autonomous online learning approach of iOn-Profiler.
PBES: PCA Based Exemplar Sampling Algorithm for Continual Learning
Authors: Sahil Nokhwal, Nirman Kumar
Date: 2023-12-14 00:00:00
Tasks: class-incremental learning, Class Incremental Learning, Continual Learning, Incremental Learning

We propose a novel exemplar selection approach based on Principal Component Analysis (PCA) and median sampling, and a neural network training regime in the setting of class-incremental learning. This approach avoids the pitfalls due to outliers in the data and is both simple to implement and use across various incremental machine learning models. It also has independent usage as a sampling algorithm. We achieve better performance compared to state-of-the-art methods.
A Hierarchical Nearest Neighbour Approach to Contextual Bandits
Authors: Stephen Pasteris, Chris Hicks, Vasilios Mavroudis
Date: 2023-12-14 00:00:00
Tasks: Computational Efficiency, Multi-Armed Bandits

In this paper we consider the adversarial contextual bandit problem in metric spaces. The paper "Nearest neighbour with bandit feedback" tackled this problem but when there are many contexts near the decision boundary of the comparator policy it suffers from a high regret. In this paper we eradicate this problem, designing an algorithm in which we can hold out any set of contexts when computing our regret term. Our algorithm builds on that of "Nearest neighbour with bandit feedback" and hence inherits its extreme computational efficiency.
Well-calibrated Confidence Measures for Multi-label Text Classification with a Large Number of Labels
Authors: Lysimachos Maltoudoglou, Andreas Paisios, Ladislav Lenc, Jiří Martínek, Pavel Král, Harris Papadopoulos
Date: 2023-12-14 00:00:00
Tasks: Conformal Prediction, Multi Label Text Classification, Multi-Label Text Classification, Prediction, text-classification, Text Classification, Word Embeddings

We extend our previous work on Inductive Conformal Prediction (ICP) for multi-label text classification and present a novel approach for addressing the computational inefficiency of the Label Powerset (LP) ICP, arrising when dealing with a high number of unique labels. We present experimental results using the original and the proposed efficient LP-ICP on two English and one Czech language data-sets. Specifically, we apply the LP-ICP on three deep Artificial Neural Network (ANN) classifiers of two types: one based on contextualised (bert) and two on non-contextualised (word2vec) word-embeddings. In the LP-ICP setting we assign nonconformity scores to label-sets from which the corresponding p-values and prediction-sets are determined. Our approach deals with the increased computational burden of LP by eliminating from consideration a significant number of label-sets that will surely have p-values below the specified significance level. This reduces dramatically the computational complexity of the approach while fully respecting the standard CP guarantees. Our experimental results show that the contextualised-based classifier surpasses the non-contextualised-based ones and obtains state-of-the-art performance for all data-sets examined. The good performance of the underlying classifiers is carried on to their ICP counterparts without any significant accuracy loss, but with the added benefits of ICP, i.e. the confidence information encapsulated in the prediction sets. We experimentally demonstrate that the resulting prediction sets can be tight enough to be practically useful even though the set of all possible label-sets contains more than $1e+16$ combinations. Additionally, the empirical error rates of the obtained prediction-sets confirm that our outputs are well-calibrated.
Acoustic models of Brazilian Portuguese Speech based on Neural Transformers
Authors: Marcelo Matheus Gauy, Marcelo Finger
Date: 2023-12-14 00:00:00

An acoustic model, trained on a significant amount of unlabeled data, consists of a self-supervised learned speech representation useful for solving downstream tasks, perhaps after a fine-tuning of the model in the respective downstream task. In this work, we build an acoustic model of Brazilian Portuguese Speech through a Transformer neural network. This model was pretrained on more than $800$ hours of Brazilian Portuguese Speech, using a combination of pretraining techniques. Using a labeled dataset collected for the detection of respiratory insufficiency in Brazilian Portuguese speakers, we fine-tune the pretrained Transformer neural network on the following tasks: respiratory insufficiency detection, gender recognition and age group classification. We compare the performance of pretrained Transformers on these tasks with that of Transformers without previous pretraining, noting a significant improvement. In particular, the performance of respiratory insufficiency detection obtains the best reported results so far, indicating this kind of acoustic model as a promising tool for speech-as-biomarker approach. Moreover, the performance of gender recognition is comparable to the state of the art models in English.
Random resistive memory-based deep extreme point learning machine for unified visual processing
Authors: Shaocong Wang, Yizhao Gao, Yi Li, Woyu Zhang, Yifei Yu, Bo wang, Ning Lin, Hegan Chen, Yue Zhang, Yang Jiang, Dingchen Wang, Jia Chen, Peng Dai, Hao Jiang, Peng Lin, Xumeng Zhang, Xiaojuan Qi, Xiaoxin Xu, Hayden So, Zhongrui Wang, Dashan Shang, Qi Liu, Kwang-Ting Cheng, Ming Liu
Date: 2023-12-14 00:00:00

Visual sensors, including 3D LiDAR, neuromorphic DVS sensors, and conventional frame cameras, are increasingly integrated into edge-side intelligent machines. Realizing intensive multi-sensory data analysis directly on edge intelligent machines is crucial for numerous emerging edge applications, such as augmented and virtual reality and unmanned aerial vehicles, which necessitates unified data representation, unprecedented hardware energy efficiency and rapid model training. However, multi-sensory data are intrinsically heterogeneous, causing significant complexity in the system development for edge-side intelligent machines. In addition, the performance of conventional digital hardware is limited by the physically separated processing and memory units, known as the von Neumann bottleneck, and the physical limit of transistor scaling, which contributes to the slowdown of Moore's law. These limitations are further intensified by the tedious training of models with ever-increasing sizes. We propose a novel hardware-software co-design, random resistive memory-based deep extreme point learning machine (DEPLM), that offers efficient unified point set analysis. We show the system's versatility across various data modalities and two different learning tasks. Compared to a conventional digital hardware-based system, our co-design system achieves huge energy efficiency improvements and training cost reduction when compared to conventional systems. Our random resistive memory-based deep extreme point learning machine may pave the way for energy-efficient and training-friendly edge AI across various data modalities and tasks.
A Kronecker product accelerated efficient sparse Gaussian Process (E-SGP) for flow emulation
Authors: Yu Duan, Matthew Eaton, Michael Bluck
Date: 2023-12-13 00:00:00
Tasks: Computational Efficiency

In this paper, we introduce an efficient sparse Gaussian process (E-SGP) for the surrogate modelling of fluid mechanics. This novel Bayesian machine learning algorithm allows efficient model training using databases of different structures. It is a further development of the approximated sparse GP algorithm, combining the concept of efficient GP (E-GP) and variational energy free sparse Gaussian process (VEF-SGP). The developed E-SGP approach exploits the arbitrariness of inducing points and the monotonically increasing nature of the objective function with respect to the number of inducing points in VEF-SGP. By specifying the inducing points on the orthogonal grid/input subspace and using the Kronecker product, E-SGP significantly improves computational efficiency without imposing any constraints on the covariance matrix or increasing the number of parameters that need to be optimised during training. The E-SGP algorithm developed in this paper outperforms E-GP not only in scalability but also in model quality in terms of mean standardized logarithmic loss (MSLL). The computational complexity of E-GP suffers from the cubic growth regarding the growing structured training database. However, E-SGP maintains computational efficiency whilst the resolution of the model, (i.e., the number of inducing points) remains fixed. The examples show that E-SGP produces more accurate predictions in comparison with E-GP when the model resolutions are similar in both. E-GP benefits from more training data but comes with higher computational demands, while E-SGP achieves a comparable level of accuracy but is more computationally efficient, making E-SGP a potentially preferable choice for fluid mechanic problems. Furthermore, E-SGP can produce more reasonable estimates of model uncertainty, whilst E-GP is more likely to produce over-confident predictions.
ReST meets ReAct: Self-Improvement for Multi-Step Reasoning LLM Agent
Authors: Renat Aksitov, Sobhan Miryoosefi, Zonglin Li, Daliang Li, Sheila Babayan, Kavya Kopparapu, Zachary Fisher, Ruiqi Guo, Sushant Prakash, Pranesh Srinivasan, Manzil Zaheer, Felix Yu, Sanjiv Kumar
Date: 2023-12-15 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, Question Answering, Retrieval

Answering complex natural language questions often necessitates multi-step reasoning and integrating external information. Several systems have combined knowledge retrieval with a large language model (LLM) to answer such questions. These systems, however, suffer from various failure cases, and we cannot directly train them end-to-end to fix such failures, as interaction with external knowledge is non-differentiable. To address these deficiencies, we define a ReAct-style LLM agent with the ability to reason and act upon external knowledge. We further refine the agent through a ReST-like method that iteratively trains on previous trajectories, employing growing-batch reinforcement learning with AI feedback for continuous self-improvement and self-distillation. Starting from a prompted large model and after just two iterations of the algorithm, we can produce a fine-tuned small model that achieves comparable performance on challenging compositional question-answering benchmarks with two orders of magnitude fewer parameters.
LLaMAntino: LLaMA 2 Models for Effective Text Generation in Italian Language
Authors: Pierpaolo Basile, Elio Musacchio, Marco Polignano, Lucia Siciliani, Giuseppe Fiameni, Giovanni Semeraro
Date: 2023-12-15 00:00:00
Tasks: Language Modelling, Large Language Model, Natural Language Understanding, Philosophy, Text Generation

Large Language Models represent state-of-the-art linguistic models designed to equip computers with the ability to comprehend natural language. With its exceptional capacity to capture complex contextual relationships, the LLaMA (Large Language Model Meta AI) family represents a novel advancement in the field of natural language processing by releasing foundational models designed to improve the natural language understanding abilities of the transformer architecture thanks to their large amount of trainable parameters (7, 13, and 70 billion parameters). In many natural language understanding tasks, these models obtain the same performances as private company models such as OpenAI Chat-GPT with the advantage to make publicly available weights and code for research and commercial uses. In this work, we investigate the possibility of Language Adaptation for LLaMA models, explicitly focusing on addressing the challenge of Italian Language coverage. Adopting an open science approach, we explore various tuning approaches to ensure a high-quality text generated in Italian suitable for common tasks in this underrepresented language in the original models' datasets. We aim to release effective text generation models with strong linguistic properties for many tasks that seem challenging using multilingual or general-purpose LLMs. By leveraging an open science philosophy, this study contributes to Language Adaptation strategies for the Italian language by introducing the novel LLaMAntino family of Italian LLMs.
LoRAMoE: Alleviate World Knowledge Forgetting in Large Language Models via MoE-Style Plugin
Authors: Shihan Dou, Enyu Zhou, Yan Liu, Songyang Gao, Jun Zhao, Wei Shen, Yuhao Zhou, Zhiheng Xi, Xiao Wang, Xiaoran Fan, ShiLiang Pu, Jiang Zhu, Rui Zheng, Tao Gui, Qi Zhang, Xuanjing Huang
Date: 2023-12-15 00:00:00
Tasks: Language Modelling, Mixture-of-Experts, Multi-Task Learning, World Knowledge

Supervised fine-tuning (SFT) is a crucial step for large language models (LLMs), enabling them to align with human instructions and enhance their capabilities in downstream tasks. Increasing instruction data substantially is a direct solution to align the model with a broader range of downstream tasks or notably improve its performance on a specific task. However, we find that large-scale increases in instruction data can damage the world knowledge previously stored in LLMs. To address this challenge, we propose LoRAMoE, a novelty framework that introduces several low-rank adapters (LoRA) and integrates them by using a router network, like a plugin version of Mixture of Experts (MoE). It freezes the backbone model and forces a portion of LoRAs to focus on leveraging world knowledge to solve downstream tasks, to alleviate world knowledge-edge forgetting. Experimental results show that, as the instruction data increases, LoRAMoE can significantly improve the ability to process downstream tasks, while maintaining the world knowledge stored in the LLM.
Generative Context-aware Fine-tuning of Self-supervised Speech Models
Authors: Suwon Shon, Kwangyoun Kim, Prashant Sridhar, Yi-Te Hsu, Shinji Watanabe, Karen Livescu
Date: 2023-12-15 00:00:00
Tasks: Automatic Speech Recognition, named-entity-recognition, Named Entity Recognition, Sentence, Sentiment Analysis, speech-recognition, Speech Recognition, Spoken Language Understanding

When performing tasks like automatic speech recognition or spoken language understanding for a given utterance, access to preceding text or audio provides contextual information can improve performance. Considering the recent advances in generative large language models (LLM), we hypothesize that an LLM could generate useful context information using the preceding text. With appropriate prompts, LLM could generate a prediction of the next sentence or abstractive text like titles or topics. In this paper, we study the use of LLM-generated context information and propose an approach to distill the generated information during fine-tuning of self-supervised speech models, which we refer to as generative context-aware fine-tuning. This approach allows the fine-tuned model to make improved predictions without access to the true surrounding segments or to the LLM at inference time, while requiring only a very small additional context module. We evaluate the proposed approach using the SLUE and Libri-light benchmarks for several downstream tasks: automatic speech recognition, named entity recognition, and sentiment analysis. The results show that generative context-aware fine-tuning outperforms a context injection fine-tuning approach that accesses the ground-truth previous text, and is competitive with a generative context injection fine-tuning approach that requires the LLM at inference time.