pwc-archive/papers-with-abstracts huggingface dataset:
MESS: Modern Electronic Structure Simulations
Authors: Hatem Helal, Andrew Fitzgibbon
Date: 2024-06-05 00:00:00

Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard practice in scientific computing, the software packages driving these studies have been implemented in compiled languages such as FORTRAN and C. However, the recent introduction of machine learning (ML) into these domains has meant that ML models must be coded in these languages, or that complex software bridges have to be built between ML models in Python and these large compiled software systems. This is in contrast with recent progress in modern ML frameworks which aim to optimise both ease of use and high performance by harnessing hardware acceleration of tensor programs defined in Python. We introduce MESS: a modern electronic structure simulation package implemented in JAX; porting the ESS code to the ML world. We outline the costs and benefits of following the software development practices used in ML for this important scientific workload. MESS shows significant speedups n widely available hardware accelerators and simultaneously opens a clear pathway towards combining ESS with ML. MESS is available at https://github.com/graphcore-research/mess.
RevRIR: Joint Reverberant Speech and Room Impulse Response Embedding using Contrastive Learning with Application to Room Shape Classification
Authors: Jacob Bitterman, Daniel Levi, Hilel Hagai Diamandi, Sharon Gannot, Tal Rosenwein
Date: 2024-06-05 00:00:00
Tasks: Contrastive Learning

This paper focuses on room fingerprinting, a task involving the analysis of an audio recording to determine the specific volume and shape of the room in which it was captured. While it is relatively straightforward to determine the basic room parameters from the Room Impulse Responses (RIR), doing so from a speech signal is a cumbersome task. To address this challenge, we introduce a dual-encoder architecture that facilitates the estimation of room parameters directly from speech utterances. During pre-training, one encoder receives the RIR while the other processes the reverberant speech signal. A contrastive loss function is employed to embed the speech and the acoustic response jointly. In the fine-tuning stage, the specific classification task is trained. In the test phase, only the reverberant utterance is available, and its embedding is used for the task of room shape classification. The proposed scheme is extensively evaluated using simulated acoustic environments.
Graph Convolutional Branch and Bound
Authors: Lorenzo Sciandra, Roberto Esposito, Andrea Cesare Grosso, Laura Sacerdote, Cristina Zucca
Date: 2024-06-05 00:00:00
Tasks: Traveling Salesman Problem

This article demonstrates the effectiveness of employing a deep learning model in an optimization pipeline. Specifically, in a generic exact algorithm for a NP problem, multiple heuristic criteria are usually used to guide the search of the optimum within the set of all feasible solutions. In this context, neural networks can be leveraged to rapidly acquire valuable information, enabling the identification of a more expedient path in this vast space. So, after the explanation of the tackled traveling salesman problem, the implemented branch and bound for its classical resolution is described. This algorithm is then compared with its hybrid version termed "graph convolutional branch and bound" that integrates the previous branch and bound with a graph convolutional neural network. The empirical results obtained highlight the efficacy of this approach, leading to conclusive findings and suggesting potential directions for future research.
HASS: Hardware-Aware Sparsity Search for Dataflow DNN Accelerator
Authors: Zhewen Yu, Sudarshan Sreeram, Krish Agrawal, Junyi Wu, Alexander Montgomerie-Corcoran, Cheng Zhang, Jianyi Cheng, Christos-Savvas Bouganis, Yiren Zhao
Date: 2024-06-05 00:00:00

Deep Neural Networks (DNNs) excel in learning hierarchical representations from raw data, such as images, audio, and text. To compute these DNN models with high performance and energy efficiency, these models are usually deployed onto customized hardware accelerators. Among various accelerator designs, dataflow architecture has shown promising performance due to its layer-pipelined structure and its scalability in data parallelism. Exploiting weights and activations sparsity can further enhance memory storage and computation efficiency. However, existing approaches focus on exploiting sparsity in non-dataflow accelerators, which cannot be applied onto dataflow accelerators because of the large hardware design space introduced. As such, this could miss opportunities to find an optimal combination of sparsity features and hardware designs. In this paper, we propose a novel approach to exploit unstructured weights and activations sparsity for dataflow accelerators, using software and hardware co-optimization. We propose a Hardware-Aware Sparsity Search (HASS) to systematically determine an efficient sparsity solution for dataflow accelerators. Over a set of models, we achieve an efficiency improvement ranging from 1.3$\times$ to 4.2$\times$ compared to existing sparse designs, which are either non-dataflow or non-hardware-aware. Particularly, the throughput of MobileNetV3 can be optimized to 4895 images per second. HASS is open-source: \url{https://github.com/Yu-Zhewen/HASS}
Task-Oriented Wireless Communications for Collaborative Perception in Intelligent Unmanned Systems
Authors: Sheng Zhou, Yukuan Jia, Ruiqing Mao, Zhaojun Nan, Yuxuan Sun, Zhisheng Niu
Date: 2024-06-05 00:00:00
Tasks: Autonomous Driving, Scheduling

Collaborative Perception (CP) has shown great potential to achieve more holistic and reliable environmental perception in intelligent unmanned systems (IUSs). However, implementing CP still faces key challenges due to the characteristics of the CP task and the dynamics of wireless channels. In this article, a task-oriented wireless communication framework is proposed to jointly optimize the communication scheme and the CP procedure. We first propose channel-adaptive compression and robust fusion approaches to extract and exploit the most valuable semantic information under wireless communication constraints. We then propose a task-oriented distributed scheduling algorithm to identify the best collaborators for CP under dynamic environments. The main idea is learning while scheduling, where the collaboration utility is effectively learned with low computation and communication overhead. Case studies are carried out in connected autonomous driving scenarios to verify the proposed framework. Finally, we identify several future research directions.
Exploring User Retrieval Integration towards Large Language Models for Cross-Domain Sequential Recommendation
Authors: Tingjia Shen, Hao Wang, Jiaqing Zhang, Sirui Zhao, Liangyue Li, Zulong Chen, Defu Lian, Enhong Chen
Date: 2024-06-05 00:00:00
Tasks: Contrastive Learning, Language Modelling, Large Language Model, Retrieval, Sequential Recommendation, Transfer Learning

Cross-Domain Sequential Recommendation (CDSR) aims to mine and transfer users' sequential preferences across different domains to alleviate the long-standing cold-start issue. Traditional CDSR models capture collaborative information through user and item modeling while overlooking valuable semantic information. Recently, Large Language Model (LLM) has demonstrated powerful semantic reasoning capabilities, motivating us to introduce them to better capture semantic information. However, introducing LLMs to CDSR is non-trivial due to two crucial issues: seamless information integration and domain-specific generation. To this end, we propose a novel framework named URLLM, which aims to improve the CDSR performance by exploring the User Retrieval approach and domain grounding on LLM simultaneously. Specifically, we first present a novel dual-graph sequential model to capture the diverse information, along with an alignment and contrastive learning method to facilitate domain knowledge transfer. Subsequently, a user retrieve-generation model is adopted to seamlessly integrate the structural information into LLM, fully harnessing its emergent inferencing ability. Furthermore, we propose a domain-specific strategy and a refinement module to prevent out-of-domain generation. Extensive experiments on Amazon demonstrated the information integration and domain-specific generation ability of URLLM in comparison to state-of-the-art baselines. Our code is available at https://github.com/TingJShen/URLLM
Learning Solutions of Stochastic Optimization Problems with Bayesian Neural Networks
Authors: Alan A. Lahoud, Erik Schaffernicht, Johannes A. Stork
Date: 2024-06-05 00:00:00
Tasks: Stochastic Optimization

Mathematical solvers use parametrized Optimization Problems (OPs) as inputs to yield optimal decisions. In many real-world settings, some of these parameters are unknown or uncertain. Recent research focuses on predicting the value of these unknown parameters using available contextual features, aiming to decrease decision regret by adopting end-to-end learning approaches. However, these approaches disregard prediction uncertainty and therefore make the mathematical solver susceptible to provide erroneous decisions in case of low-confidence predictions. We propose a novel framework that models prediction uncertainty with Bayesian Neural Networks (BNNs) and propagates this uncertainty into the mathematical solver with a Stochastic Programming technique. The differentiable nature of BNNs and differentiable mathematical solvers allow for two different learning approaches: In the Decoupled learning approach, we update the BNN weights to increase the quality of the predictions' distribution of the OP parameters, while in the Combined learning approach, we update the weights aiming to directly minimize the expected OP's cost function in a stochastic end-to-end fashion. We do an extensive evaluation using synthetic data with various noise properties and a real dataset, showing that decisions regret are generally lower (better) with both proposed methods.
Local to Global: Learning Dynamics and Effect of Initialization for Transformers
Authors: Ashok Vardhan Makkuva, Marco Bondaschi, Chanakya Ekbote, Adway Girish, Alliot Nagle, Hyeji Kim, Michael Gastpar
Date: 2024-06-05 00:00:00

In recent years, transformer-based models have revolutionized deep learning, particularly in sequence modeling. To better understand this phenomenon, there is a growing interest in using Markov input processes to study transformers. However, our current understanding in this regard remains limited with many fundamental questions about how transformers learn Markov chains still unanswered. In this paper, we address this by focusing on first-order Markov chains and single-layer transformers, providing a comprehensive characterization of the learning dynamics in this context. Specifically, we prove that transformer parameters trained on next-token prediction loss can either converge to global or local minima, contingent on the initialization and the Markovian data properties, and we characterize the precise conditions under which this occurs. To the best of our knowledge, this is the first result of its kind highlighting the role of initialization. We further demonstrate that our theoretical findings are corroborated by empirical evidence. Based on these insights, we provide guidelines for the initialization of transformer parameters and demonstrate their effectiveness. Finally, we outline several open problems in this arena. Code is available at: https://github.com/Bond1995/Markov.
Path-Specific Causal Reasoning for Fairness-aware Cognitive Diagnosis
Authors: Dacao Zhang, Kun Zhang, Le Wu, Mi Tian, Richang Hong, Meng Wang
Date: 2024-06-05 00:00:00
Tasks: Attribute, cognitive diagnosis, Fairness

Cognitive Diagnosis~(CD), which leverages students and exercise data to predict students' proficiency levels on different knowledge concepts, is one of fundamental components in Intelligent Education. Due to the scarcity of student-exercise interaction data, most existing methods focus on making the best use of available data, such as exercise content and student information~(e.g., educational context). Despite the great progress, the abuse of student sensitive information has not been paid enough attention. Due to the important position of CD in Intelligent Education, employing sensitive information when making diagnosis predictions will cause serious social issues. Moreover, data-driven neural networks are easily misled by the shortcut between input data and output prediction, exacerbating this problem. Therefore, it is crucial to eliminate the negative impact of sensitive information in CD models. In response, we argue that sensitive attributes of students can also provide useful information, and only the shortcuts directly related to the sensitive information should be eliminated from the diagnosis process. Thus, we employ causal reasoning and design a novel Path-Specific Causal Reasoning Framework (PSCRF) to achieve this goal. Specifically, we first leverage an encoder to extract features and generate embeddings for general information and sensitive information of students. Then, we design a novel attribute-oriented predictor to decouple the sensitive attributes, in which fairness-related sensitive features will be eliminated and other useful information will be retained. Finally, we designed a multi-factor constraint to ensure the performance of fairness and diagnosis performance simultaneously. Extensive experiments over real-world datasets (e.g., PISA dataset) demonstrate the effectiveness of our proposed PSCRF.
Predicting unobserved climate time series data at distant areas via spatial correlation using reservoir computing
Authors: Shihori Koyama, Daisuke Inoue, Hiroaki Yoshida, Kazuyuki Aihara, Gouhei Tanaka
Date: 2024-06-05 00:00:00
Tasks: Prediction, Time Series

Collecting time series data spatially distributed in many locations is often important for analyzing climate change and its impacts on ecosystems. However, comprehensive spatial data collection is not always feasible, requiring us to predict climate variables at some locations. This study focuses on a prediction of climatic elements, specifically near-surface temperature and pressure, at a target location apart from a data observation point. Our approach uses two prediction methods: reservoir computing (RC), known as a machine learning framework with low computational requirements, and vector autoregression models (VAR), recognized as a statistical method for analyzing time series data. Our results show that the accuracy of the predictions degrades with the distance between the observation and target locations. We quantitatively estimate the distance in which effective predictions are possible. We also find that in the context of climate data, a geographical distance is associated with data correlation, and a strong data correlation significantly improves the prediction accuracy with RC. In particular, RC outperforms VAR in predicting highly correlated data within the predictive range. These findings suggest that machine learning-based methods can be used more effectively to predict climatic elements in remote locations by assessing the distance to them from the data observation point in advance. Our study on low-cost and accurate prediction of climate variables has significant value for climate change strategies.
Efficient Exploration of the Rashomon Set of Rule Set Models
Authors: Martino Ciaperoni, Han Xiao, Aristides Gionis
Date: 2024-06-05 00:00:00
Tasks: Decision Making, Efficient Exploration, Interpretable Machine Learning

Today, as increasingly complex predictive models are developed, simple rule sets remain a crucial tool to obtain interpretable predictions and drive high-stakes decision making. However, a single rule set provides a partial representation of a learning task. An emerging paradigm in interpretable machine learning aims at exploring the Rashomon set of all models exhibiting near-optimal performance. Existing work on Rashomon-set exploration focuses on exhaustive search of the Rashomon set for particular classes of models, which can be a computationally challenging task. On the other hand, exhaustive enumeration leads to redundancy that often is not necessary, and a representative sample or an estimate of the size of the Rashomon set is sufficient for many applications. In this work, we propose, for the first time, efficient methods to explore the Rashomon set of rule set models with or without exhaustive search. Extensive experiments demonstrate the effectiveness of the proposed methods in a variety of scenarios.
BWS: Best Window Selection Based on Sample Scores for Data Pruning across Broad Ranges
Authors: Hoyong Choi, Nohyun Ki, Hye Won Chung
Date: 2024-06-05 00:00:00

Data subset selection aims to find a smaller yet informative subset of a large dataset that can approximate the full-dataset training, addressing challenges associated with training neural networks on large-scale datasets. However, existing methods tend to specialize in either high or low selection ratio regimes, lacking a universal approach that consistently achieves competitive performance across a broad range of selection ratios. We introduce a universal and efficient data subset selection method, Best Window Selection (BWS), by proposing a method to choose the best window subset from samples ordered based on their difficulty scores. This approach offers flexibility by allowing the choice of window intervals that span from easy to difficult samples. Furthermore, we provide an efficient mechanism for selecting the best window subset by evaluating its quality using kernel ridge regression. Our experimental results demonstrate the superior performance of BWS compared to other baselines across a broad range of selection ratios over datasets, including CIFAR-10/100 and ImageNet, and the scenarios involving training from random initialization or fine-tuning of pre-trained models.
Are Your Models Still Fair? Fairness Attacks on Graph Neural Networks via Node Injections
Authors: Zihan Luo, Hong Huang, Yongkang Zhou, Jiping Zhang, Nuo Chen, Hai Jin
Date: 2024-06-05 00:00:00
Tasks: Fairness

Despite the remarkable capabilities demonstrated by Graph Neural Networks (GNNs) in graph-related tasks, recent research has revealed the fairness vulnerabilities in GNNs when facing malicious adversarial attacks. However, all existing fairness attacks require manipulating the connectivity between existing nodes, which may be prohibited in reality. To this end, we introduce a Node Injection-based Fairness Attack (NIFA), exploring the vulnerabilities of GNN fairness in such a more realistic setting. In detail, NIFA first designs two insightful principles for node injection operations, namely the uncertainty-maximization principle and homophily-increase principle, and then optimizes injected nodes' feature matrix to further ensure the effectiveness of fairness attacks. Comprehensive experiments on three real-world datasets consistently demonstrate that NIFA can significantly undermine the fairness of mainstream GNNs, even including fairness-aware GNNs, by injecting merely 1% of nodes. We sincerely hope that our work can stimulate increasing attention from researchers on the vulnerability of GNN fairness, and encourage the development of corresponding defense mechanisms. Our code and data are released at: https://github.com/CGCL-codes/NIFA.
Population Transformer: Learning Population-level Representations of Neural Activity
Authors: Geeling Chau, Christopher Wang, Sabera Talukder, Vighnesh Subramaniam, Saraswati Soedarmadji, Yisong Yue, Boris Katz, Andrei Barbu
Date: 2024-06-05 00:00:00
Tasks: Representation Learning, Time Series

We present a self-supervised framework that learns population-level codes for arbitrary ensembles of neural recordings at scale. We address key challenges in scaling models with neural time-series data, namely, sparse and variable electrode distribution across subjects and datasets. The Population Transformer (PopT) stacks on top of pretrained temporal embeddings and enhances downstream decoding by enabling learned aggregation of multiple spatially-sparse data channels. The pretrained PopT lowers the amount of data required for downstream decoding experiments, while increasing accuracy, even on held-out subjects and tasks. Compared to end-to-end methods, this approach is computationally lightweight, while achieving similar or better decoding performance. We further show how our framework is generalizable to multiple time-series embeddings and neural data modalities. Beyond decoding, we interpret the pretrained and fine-tuned PopT models to show how they can be used to extract neuroscience insights from large amounts of data. We release our code as well as a pretrained PopT to enable off-the-shelf improvements in multi-channel intracranial data decoding and interpretability. Code is available at https://github.com/czlwang/PopulationTransformer.
Optimal Multi-Fidelity Best-Arm Identification
Authors: Riccardo Poiani, Rémy Degenne, Emilie Kaufmann, Alberto Maria Metelli, Marcello Restelli
Date: 2024-06-05 00:00:00

In bandit best-arm identification, an algorithm is tasked with finding the arm with highest mean reward with a specified accuracy as fast as possible. We study multi-fidelity best-arm identification, in which the algorithm can choose to sample an arm at a lower fidelity (less accurate mean estimate) for a lower cost. Several methods have been proposed for tackling this problem, but their optimality remain elusive, notably due to loose lower bounds on the total cost needed to identify the best arm. Our first contribution is a tight, instance-dependent lower bound on the cost complexity. The study of the optimization problem featured in the lower bound provides new insights to devise computationally efficient algorithms, and leads us to propose a gradient-based approach with asymptotically optimal cost complexity. We demonstrate the benefits of the new algorithm compared to existing methods in experiments. Our theoretical and empirical findings also shed light on an intriguing concept of optimal fidelity for each arm.
From Tarzan to Tolkien: Controlling the Language Proficiency Level of LLMs for Content Generation
Authors: Ali Malik, Stephen Mayhew, Chris Piech, Klinton Bicknell
Date: 2024-06-05 00:00:00
Tasks: Language Modeling, Language Modelling, Reinforcement Learning (RL)

We study the problem of controlling the difficulty level of text generated by Large Language Models (LLMs) for contexts where end-users are not fully proficient, such as language learners. Using a novel framework, we evaluate the effectiveness of several key approaches for this task, including few-shot prompting, supervised finetuning, and reinforcement learning (RL), utilising both GPT-4 and open source alternatives like LLama2-7B and Mistral-7B. Our findings reveal a large performance gap between GPT-4 and the open source models when using prompt-based strategies. However, we show how to bridge this gap with a careful combination of finetuning and RL alignment. Our best model, CALM (CEFR-Aligned Language Model), surpasses the performance of GPT-4 and other strategies, at only a fraction of the cost. We further validate the quality of our results through a small-scale human study.