pwc-archive/papers-with-abstracts huggingface dataset:
Text me the data: Generating Ground Pressure Sequence from Textual Descriptions for HAR
Authors: Lala Shakti Swarup Ray, Bo Zhou, Sungho Suh, Lars Krupp, Vitor Fortes Rey, Paul Lukowicz
Date: 2024-02-22 00:00:00
Tasks: Activity Recognition, Human Activity Recognition, Quantization

In human activity recognition (HAR), the availability of substantial ground truth is necessary for training efficient models. However, acquiring ground pressure data through physical sensors itself can be cost-prohibitive, time-consuming. To address this critical need, we introduce Text-to-Pressure (T2P), a framework designed to generate extensive ground pressure sequences from textual descriptions of human activities using deep learning techniques. We show that the combination of vector quantization of sensor data along with simple text conditioned auto regressive strategy allows us to obtain high-quality generated pressure sequences from textual descriptions with the help of discrete latent correlation between text and pressure maps. We achieved comparable performance on the consistency between text and generated motion with an R squared value of 0.722, Masked R squared value of 0.892, and FID score of 1.83. Additionally, we trained a HAR model with the the synthesized data and evaluated it on pressure dynamics collected by a real pressure sensor which is on par with a model trained on only real data. Combining both real and synthesized training data increases the overall macro F1 score by 5.9 percent.
Global Safe Sequential Learning via Efficient Knowledge Transfer
Authors: Cen-You Li, Olaf Duennbier, Marc Toussaint, Barbara Rakitsch, Christoph Zimmer
Date: 2024-02-22 00:00:00
Tasks: Active Learning, Bayesian Optimization, Computational Efficiency, Gaussian Processes, Transfer Learning

Sequential learning methods, such as active learning and Bayesian optimization, aim to select the most informative data for task learning. In many applications, however, data selection is constrained by unknown safety conditions, motivating the development of safe learning approaches. A promising line of safe learning methods uses Gaussian processes to model safety conditions, restricting data selection to areas with high safety confidence. However, these methods are limited to local exploration around an initial seed dataset, as safety confidence centers around observed data points. As a consequence, task exploration is slowed down and safe regions disconnected from the initial seed dataset remain unexplored. In this paper, we propose safe transfer sequential learning to accelerate task learning and to expand the explorable safe region. By leveraging abundant offline data from a related source task, our approach guides exploration in the target task more effectively. We also provide a theoretical analysis to explain why single-task method cannot cope with disconnected regions. Finally, we introduce a computationally efficient approximation of our method that reduces runtime through pre-computations. Our experiments demonstrate that this approach, compared to state-of-the-art methods, learns tasks with lower data consumption and enhances global exploration across multiple disjoint safe regions, while maintaining comparable computational efficiency.
Closed-Form Bounds for DP-SGD against Record-level Inference
Authors: Giovanni Cherubin, Boris Köpf, Andrew Paverd, Shruti Tople, Lukas Wutschitz, Santiago Zanella-Béguelin
Date: 2024-02-22 00:00:00
Tasks: Attribute, Form

Machine learning models trained with differentially-private (DP) algorithms such as DP-SGD enjoy resilience against a wide range of privacy attacks. Although it is possible to derive bounds for some attacks based solely on an $(\varepsilon,\delta)$-DP guarantee, meaningful bounds require a small enough privacy budget (i.e., injecting a large amount of noise), which results in a large loss in utility. This paper presents a new approach to evaluate the privacy of machine learning models against specific record-level threats, such as membership and attribute inference, without the indirection through DP. We focus on the popular DP-SGD algorithm, and derive simple closed-form bounds. Our proofs model DP-SGD as an information theoretic channel whose inputs are the secrets that an attacker wants to infer (e.g., membership of a data record) and whose outputs are the intermediate model parameters produced by iterative optimization. We obtain bounds for membership inference that match state-of-the-art techniques, whilst being orders of magnitude faster to compute. Additionally, we present a novel data-dependent bound against attribute inference. Our results provide a direct, interpretable, and practical way to evaluate the privacy of trained models against specific inference threats without sacrificing utility.
Quantum Circuit Optimization with AlphaTensor
Authors: Francisco J. R. Ruiz, Tuomas Laakkonen, Johannes Bausch, Matej Balog, Mohammadamin Barekatain, Francisco J. H. Heras, Alexander Novikov, Nathan Fitzpatrick, Bernardino Romera-Paredes, John van de Wetering, Alhussein Fawzi, Konstantinos Meichanetzidis, Pushmeet Kohli
Date: 2024-02-22 00:00:00
Tasks: Deep Reinforcement Learning, Tensor Decomposition

A key challenge in realizing fault-tolerant quantum computers is circuit optimization. Focusing on the most expensive gates in fault-tolerant quantum computation (namely, the T gates), we address the problem of T-count optimization, i.e., minimizing the number of T gates that are needed to implement a given circuit. To achieve this, we develop AlphaTensor-Quantum, a method based on deep reinforcement learning that exploits the relationship between optimizing T-count and tensor decomposition. Unlike existing methods for T-count optimization, AlphaTensor-Quantum can incorporate domain-specific knowledge about quantum computation and leverage gadgets, which significantly reduces the T-count of the optimized circuits. AlphaTensor-Quantum outperforms the existing methods for T-count optimization on a set of arithmetic benchmarks (even when compared without making use of gadgets). Remarkably, it discovers an efficient algorithm akin to Karatsuba's method for multiplication in finite fields. AlphaTensor-Quantum also finds the best human-designed solutions for relevant arithmetic computations used in Shor's algorithm and for quantum chemistry simulation, thus demonstrating it can save hundreds of hours of research by optimizing relevant quantum circuits in a fully automated way.
Graph Parsing Networks
Authors: Yunchong Song, Siyuan Huang, Xinbing Wang, Chenghu Zhou, Zhouhan Lin
Date: 2024-02-22 00:00:00
Tasks: Graph Classification, Graph Reconstruction, Node Classification, Node Clustering

Graph pooling compresses graph information into a compact representation. State-of-the-art graph pooling methods follow a hierarchical approach, which reduces the graph size step-by-step. These methods must balance memory efficiency with preserving node information, depending on whether they use node dropping or node clustering. Additionally, fixed pooling ratios or numbers of pooling layers are predefined for all graphs, which prevents personalized pooling structures from being captured for each individual graph. In this work, inspired by bottom-up grammar induction, we propose an efficient graph parsing algorithm to infer the pooling structure, which then drives graph pooling. The resulting Graph Parsing Network (GPN) adaptively learns personalized pooling structure for each individual graph. GPN benefits from the discrete assignments generated by the graph parsing algorithm, allowing good memory efficiency while preserving node information intact. Experimental results on standard benchmarks demonstrate that GPN outperforms state-of-the-art graph pooling methods in graph classification tasks while being able to achieve competitive performance in node classification tasks. We also conduct a graph reconstruction task to show GPN's ability to preserve node information and measure both memory and time efficiency through relevant tests.
MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding
Authors: Lirong Wu, Yijun Tian, Yufei Huang, Siyuan Li, Haitao Lin, Nitesh V Chawla, Stan Z. Li
Date: 2024-02-22 00:00:00
Tasks: Computational Efficiency, Prediction

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction. While existing methods rely heavily on protein sequence for PPI prediction, it is the protein structure that is the key to determine the interactions. To take both protein modalities into account, we define the microenvironment of an amino acid residue by its sequence and structural contexts, which describe the surrounding chemical properties and geometric features. In addition, microenvironments defined in previous work are largely based on experimentally assayed physicochemical properties, for which the "vocabulary" is usually extremely small. This makes it difficult to cover the diversity and complexity of microenvironments. In this paper, we propose Microenvironment-Aware Protein Embedding for PPI prediction (MPAE-PPI), which encodes microenvironments into chemically meaningful discrete codes via a sufficiently large microenvironment "vocabulary" (i.e., codebook). Moreover, we propose a novel pre-training strategy, namely Masked Codebook Modeling (MCM), to capture the dependencies between different microenvironments by randomly masking the codebook and reconstructing the input. With the learned microenvironment codebook, we can reuse it as an off-the-shelf tool to efficiently and effectively encode proteins of different sizes and functions for large-scale PPI prediction. Extensive experiments show that MAPE-PPI can scale to PPI prediction with millions of PPIs with superior trade-offs between effectiveness and computational efficiency than the state-of-the-art competitors.
Securing Transactions: A Hybrid Dependable Ensemble Machine Learning Model using IHT-LR and Grid Search
Authors: Md. Alamin Talukder, Rakib Hossen, Md Ashraf Uddin, Mohammed Nasir Uddin, Uzzal Kumar Acharjee
Date: 2024-02-22 00:00:00
Tasks: Fraud Detection

Financial institutions and businesses face an ongoing challenge from fraudulent transactions, prompting the need for effective detection methods. Detecting credit card fraud is crucial for identifying and preventing unauthorized transactions.Timely detection of fraud enables investigators to take swift actions to mitigate further losses. However, the investigation process is often time-consuming, limiting the number of alerts that can be thoroughly examined each day. Therefore, the primary objective of a fraud detection model is to provide accurate alerts while minimizing false alarms and missed fraud cases. In this paper, we introduce a state-of-the-art hybrid ensemble (ENS) dependable Machine learning (ML) model that intelligently combines multiple algorithms with proper weighted optimization using Grid search, including Decision Tree (DT), Random Forest (RF), K-Nearest Neighbor (KNN), and Multilayer Perceptron (MLP), to enhance fraud identification. To address the data imbalance issue, we employ the Instant Hardness Threshold (IHT) technique in conjunction with Logistic Regression (LR), surpassing conventional approaches. Our experiments are conducted on a publicly available credit card dataset comprising 284,807 transactions. The proposed model achieves impressive accuracy rates of 99.66%, 99.73%, 98.56%, and 99.79%, and a perfect 100% for the DT, RF, KNN, MLP and ENS models, respectively. The hybrid ensemble model outperforms existing works, establishing a new benchmark for detecting fraudulent transactions in high-frequency scenarios. The results highlight the effectiveness and reliability of our approach, demonstrating superior performance metrics and showcasing its exceptional potential for real-world fraud detection applications.
WindDragon: Enhancing wind power forecasting with Automated Deep Learning
Authors: Julie Keisler, Etienne Le Naour
Date: 2024-02-22 00:00:00
Tasks: Deep Learning

Achieving net zero carbon emissions by 2050 requires the integration of increasing amounts of wind power into power grids. This energy source poses a challenge to system operators due to its variability and uncertainty. Therefore, accurate forecasting of wind power is critical for grid operation and system balancing. This paper presents an innovative approach to short-term (1 to 6 hour horizon) windpower forecasting at a national level. The method leverages Automated Deep Learning combined with Numerical Weather Predictions wind speed maps to accurately forecast wind power.
Generative Adversarial Network with Soft-Dynamic Time Warping and Parallel Reconstruction for Energy Time Series Anomaly Detection
Authors: Hardik Prabhu, Jayaraman Valadi, Pandarasamy Arjunan
Date: 2024-02-22 00:00:00
Tasks: Anomaly Detection, Dynamic Time Warping, Generative Adversarial Network, Time Series, Time Series Anomaly Detection

In this paper, we employ a 1D deep convolutional generative adversarial network (DCGAN) for sequential anomaly detection in energy time series data. Anomaly detection involves gradient descent to reconstruct energy sub-sequences, identifying the noise vector that closely generates them through the generator network. Soft-DTW is used as a differentiable alternative for the reconstruction loss and is found to be superior to Euclidean distance. Combining reconstruction loss and the latent space's prior probability distribution serves as the anomaly score. Our novel method accelerates detection by parallel computation of reconstruction of multiple points and shows promise in identifying anomalous energy consumption in buildings, as evidenced by performing experiments on hourly energy time series from 15 buildings.
Representation Learning for Frequent Subgraph Mining
Authors: Rex Ying, Tianyu Fu, Andrew Wang, Jiaxuan You, Yu Wang, Jure Leskovec
Date: 2024-02-22 00:00:00
Tasks: Representation Learning, Subgraph Counting

Identifying frequent subgraphs, also called network motifs, is crucial in analyzing and predicting properties of real-world networks. However, finding large commonly-occurring motifs remains a challenging problem not only due to its NP-hard subroutine of subgraph counting, but also the exponential growth of the number of possible subgraphs patterns. Here we present Subgraph Pattern Miner (SPMiner), a novel neural approach for approximately finding frequent subgraphs in a large target graph. SPMiner combines graph neural networks, order embedding space, and an efficient search strategy to identify network subgraph patterns that appear most frequently in the target graph. SPMiner first decomposes the target graph into many overlapping subgraphs and then encodes each subgraph into an order embedding space. SPMiner then uses a monotonic walk in the order embedding space to identify frequent motifs. Compared to existing approaches and possible neural alternatives, SPMiner is more accurate, faster, and more scalable. For 5- and 6-node motifs, we show that SPMiner can almost perfectly identify the most frequent motifs while being 100x faster than exact enumeration methods. In addition, SPMiner can also reliably identify frequent 10-node motifs, which is well beyond the size limit of exact enumeration approaches. And last, we show that SPMiner can find large up to 20 node motifs with 10-100x higher frequency than those found by current approximate methods.
OpenTab: Advancing Large Language Models as Open-domain Table Reasoners
Authors: Kezhi Kong, Jiani Zhang, Zhengyuan Shen, Balasubramaniam Srinivasan, Chuan Lei, Christos Faloutsos, Huzefa Rangwala, George Karypis
Date: 2024-02-22 00:00:00
Tasks: Retrieval

Large Language Models (LLMs) trained on large volumes of data excel at various natural language tasks, but they cannot handle tasks requiring knowledge that has not been trained on previously. One solution is to use a retriever that fetches relevant information to expand LLM's knowledge scope. However, existing textual-oriented retrieval-based LLMs are not ideal on structured table data due to diversified data modalities and large table sizes. In this work, we propose OpenTab, an open-domain table reasoning framework powered by LLMs. Overall, OpenTab leverages table retriever to fetch relevant tables and then generates SQL programs to parse the retrieved tables efficiently. Utilizing the intermediate data derived from the SQL executions, it conducts grounded inference to produce accurate response. Extensive experimental evaluation shows that OpenTab significantly outperforms baselines in both open- and closed-domain settings, achieving up to 21.5% higher accuracy. We further run ablation studies to validate the efficacy of our proposed designs of the system.
How Ambiguous are the Rationales for Natural Language Reasoning? A Simple Approach to Handling Rationale Uncertainty
Authors: Hazel Kim
Date: 2024-02-22 00:00:00
Tasks: Informativeness

Rationales behind answers not only explain model decisions but boost language models to reason well on complex reasoning tasks. However, obtaining impeccable rationales is often impossible. Besides, it is non-trivial to estimate the degree to which the rationales are faithful enough to encourage model performance. Thus, such reasoning tasks often compel models to output correct answers under undesirable rationales and are sub-optimal compared to what the models are fully capable of. In this work, we propose how to deal with imperfect rationales causing aleatoric uncertainty. We first define the ambiguous rationales with entropy scores of given rationales, using model prior beliefs as informativeness. We then guide models to select one of two different reasoning models according to the ambiguity of rationales. We empirically argue that our proposed method produces robust performance superiority against the adversarial quality of rationales and low-resource settings.
From Large to Small Datasets: Size Generalization for Clustering Algorithm Selection
Authors: Vaggos Chatziafratis, Ishani Karmarkar, Ellen Vitercik
Date: 2024-02-22 00:00:00
Tasks: Clustering

In clustering algorithm selection, we are given a massive dataset and must efficiently select which clustering algorithm to use. We study this problem in a semi-supervised setting, with an unknown ground-truth clustering that we can only access through expensive oracle queries. Ideally, the clustering algorithm's output will be structurally close to the ground truth. We approach this problem by introducing a notion of size generalization for clustering algorithm accuracy. We identify conditions under which we can (1) subsample the massive clustering instance, (2) evaluate a set of candidate algorithms on the smaller instance, and (3) guarantee that the algorithm with the best accuracy on the small instance will have the best accuracy on the original big instance. We provide theoretical size generalization guarantees for three classic clustering algorithms: single-linkage, k-means++, and (a smoothed variant of) Gonzalez's k-centers heuristic. We validate our theoretical analysis with empirical results, observing that on real-world clustering instances, we can use a subsample of as little as 5% of the data to identify which algorithm is best on the full dataset.
Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling
Authors: Yuwei Yang, Siqi Ouyang, Xueyu Hu, Mingyue Zheng, Hao Zhou, Lei LI
Date: 2024-02-22 00:00:00
Tasks: Drug Design, Molecular Docking, Self-Learning

Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites, or iteratively modify molecules to optimize a structure-based activity estimator. The former is highly constrained by data quantity and quality, which leaves optimization-based approaches more promising in practical scenario. However, existing optimization-based approaches choose to edit molecules in 2D space, and use molecular docking to estimate the activity using docking predicted 3D target-ligand complexes. The misalignment between the action space and the objective hinders the performance of these models, especially for those employ deep learning for acceleration. In this work, we propose MolEdit3D to combine 3D molecular generation with optimization frameworks. We develop a novel 3D graph editing model to generate molecules using fragments, and pre-train this model on abundant 3D ligands for learning target-independent properties. Then we employ a target-guided self-learning strategy to improve target-related properties using self-sampled molecules. MolEdit3D achieves state-of-the-art performance on majority of the evaluation metrics, and demonstrate strong capability of capturing both target-dependent and -independent properties.
An FPGA-Based Accelerator Enabling Efficient Support for CNNs with Arbitrary Kernel Sizes
Authors: Miaoxin Wang, Xiao Wu, Jun Lin, Zhongfeng Wang
Date: 2024-02-22 00:00:00
Tasks: Computational Efficiency

Convolutional neural networks (CNNs) with large kernels, drawing inspiration from the key operations of vision transformers (ViTs), have demonstrated impressive performance in various vision-based applications. To address the issue of computational efficiency degradation in existing designs for supporting large-kernel convolutions, an FPGA-based inference accelerator is proposed for the efficient deployment of CNNs with arbitrary kernel sizes. Firstly, a Z-flow method is presented to optimize the computing data flow by maximizing data reuse opportunity. Besides, the proposed design, incorporating the kernel-segmentation (Kseg) scheme, enables extended support for large-kernel convolutions, significantly reducing the storage requirements for overlapped data. Moreover, based on the analysis of typical block structures in emerging CNNs, vertical-fused (VF) and horizontal-fused (HF) methods are developed to optimize CNN deployments from both computation and transmission perspectives. The proposed hardware accelerator, evaluated on Intel Arria 10 FPGA, achieves up to 3.91 times better DSP efficiency than prior art on the same network. Particularly, it demonstrates efficient support for large-kernel CNNs, achieving throughputs of 169.68 GOPS and 244.55 GOPS for RepLKNet-31 and PyConvResNet-50, respectively, both of which are implemented on hardware for the first time.