pwc-archive/papers-with-abstracts huggingface dataset:
Inferring physical laws by artificial intelligence based causal models
Authors: Jorawar Singh, Kishor Bharti, Arvind
Date: 2023-09-08 00:00:00
Tasks: Causal Inference, scientific discovery

The advances in Artificial Intelligence (AI) and Machine Learning (ML) have opened up many avenues for scientific research, and are adding new dimensions to the process of knowledge creation. However, even the most powerful and versatile of ML applications till date are primarily in the domain of analysis of associations and boil down to complex data fitting. Judea Pearl has pointed out that Artificial General Intelligence must involve interventions involving the acts of doing and imagining. Any machine assisted scientific discovery thus must include casual analysis and interventions. In this context, we propose a causal learning model of physical principles, which not only recognizes correlations but also brings out casual relationships. We use the principles of causal inference and interventions to study the cause-and-effect relationships in the context of some well-known physical phenomena. We show that this technique can not only figure out associations among data, but is also able to correctly ascertain the cause-and-effect relations amongst the variables, thereby strengthening (or weakening) our confidence in the proposed model of the underlying physical process.
3D Denoisers are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation
Authors: Sungjun Cho, Dae-Woong Jeong, Sung Moon Ko, Jinwoo Kim, Sehui Han, Seunghoon Hong, Honglak Lee, Moontae Lee
Date: 2023-09-08 00:00:00
Tasks: Denoising, Knowledge Distillation, Molecular Property Prediction, molecular representation, Property Prediction, Representation Learning

Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, which led to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In light of this limitation, we propose D&D, a self-supervised molecular representation learning framework that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to accurate conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against other baselines.
BEVTrack: A Simple and Strong Baseline for 3D Single Object Tracking in Bird's-Eye View
Authors: Yuxiang Yang, Yingqi Deng, Jinlong Fan, Jing Zhang, Zheng-Jun Zha
Date: 2023-09-05 00:00:00
Tasks: 3D Single Object Tracking, Autonomous Driving, Object Tracking, regression

3D Single Object Tracking (SOT) is a fundamental task of computer vision, proving essential for applications like autonomous driving. It remains challenging to localize the target from surroundings due to appearance variations, distractors, and the high sparsity of point clouds. To address these issues, prior Siamese and motion-centric trackers both require elaborate designs and solving multiple subtasks. In this paper, we propose BEVTrack, a simple yet effective baseline method. By estimating the target motion in Bird's-Eye View (BEV) to perform tracking, BEVTrack demonstrates surprising simplicity from various aspects, i.e., network designs, training objectives, and tracking pipeline, while achieving superior performance. Besides, to achieve accurate regression for targets with diverse attributes (e.g., sizes and motion patterns), BEVTrack constructs the likelihood function with the learned underlying distributions adapted to different targets, rather than making a fixed Laplacian or Gaussian assumption as in previous works. This provides valuable priors for tracking and thus further boosts performance. While only using a single regression loss with a plain convolutional architecture, BEVTrack achieves state-of-the-art performance on three large-scale datasets, KITTI, NuScenes, and Waymo Open Dataset while maintaining a high inference speed of about 200 FPS. The code will be released at https://github.com/xmm-prio/BEVTrack.
TensorBank: Tensor Lakehouse for Foundation Model Training
Authors: Romeo Kienzler, Leonardo Pondian Tizzei, Benedikt Blumenstiel, Zoltan Arnold Nagy, S. Karthik Mukkavilli, Johannes Schmude, Marcus Freitag, Michael Behrendt, Daniel Salles Civitarese, Naomi Simumba, Daiki Kimura, Hendrik Hamann
Date: 2023-09-05 00:00:00
Tasks: GPU, model

Storing and streaming high dimensional data for foundation model training became a critical requirement with the rise of foundation models beyond natural language. In this paper we introduce TensorBank, a petabyte scale tensor lakehouse capable of streaming tensors from Cloud Object Store (COS) to GPU memory at wire speed based on complex relational queries. We use Hierarchical Statistical Indices (HSI) for query acceleration. Our architecture allows to directly address tensors on block level using HTTP range reads. Once in GPU memory, data can be transformed using PyTorch transforms. We provide a generic PyTorch dataset type with a corresponding dataset factory translating relational queries and requested transformations as an instance. By making use of the HSI, irrelevant blocks can be skipped without reading them as those indices contain statistics on their content at different hierarchical resolution levels. This is an opinionated architecture powered by open standards and making heavy use of open-source technology. Although, hardened for production use using geospatial-temporal data, this architecture generalizes to other use case like computer vision, computational neuroscience, biological sequence analysis and more.
Evaluation of large language models for discovery of gene set function
Authors: Mengzhou Hu, Sahar Alkhairy, Ingoo Lee, Rudolf T. Pillich, Dylan Fong, Kevin Smith, Robin Bachelder, Trey Ideker, Dexter Pratt
Date: 2023-09-07 00:00:00
Tasks: Benchmarking, Language Modelling, Large Language Model

Gene set analysis is a mainstay of functional genomics, but it relies on curated databases of gene functions that are incomplete. Here we evaluate five Large Language Models (LLMs) for their ability to discover the common biological functions represented by a gene set, substantiated by supporting rationale, citations and a confidence assessment. Benchmarking against canonical gene sets from the Gene Ontology, GPT-4 confidently recovered the curated name or a more general concept (73% of cases), while benchmarking against random gene sets correctly yielded zero confidence. Gemini-Pro and Mixtral-Instruct showed ability in naming but were falsely confident for random sets, whereas Llama2-70b had poor performance overall. In gene sets derived from 'omics data, GPT-4 identified novel functions not reported by classical functional enrichment (32% of cases), which independent review indicated were largely verifiable and not hallucinations. The ability to rapidly synthesize common gene functions positions LLMs as valuable 'omics assistants.
ConDA: Contrastive Domain Adaptation for AI-generated Text Detection
Authors: Amrita Bhattacharjee, Tharindu Kumarage, Raha Moraffah, Huan Liu
Date: 2023-09-07 00:00:00
Tasks: Articles, Contrastive Learning, Domain Adaptation, Text Detection, Unsupervised Domain Adaptation

Large language models (LLMs) are increasingly being used for generating text in a variety of use cases, including journalistic news articles. Given the potential malicious nature in which these LLMs can be used to generate disinformation at scale, it is important to build effective detectors for such AI-generated text. Given the surge in development of new LLMs, acquiring labeled training data for supervised detectors is a bottleneck. However, there might be plenty of unlabeled text data available, without information on which generator it came from. In this work we tackle this data problem, in detecting AI-generated news text, and frame the problem as an unsupervised domain adaptation task. Here the domains are the different text generators, i.e. LLMs, and we assume we have access to only the labeled source data and unlabeled target data. We develop a Contrastive Domain Adaptation framework, called ConDA, that blends standard domain adaptation techniques with the representation power of contrastive learning to learn domain invariant representations that are effective for the final unsupervised detection task. Our experiments demonstrate the effectiveness of our framework, resulting in average performance gains of 31.7% from the best performing baselines, and within 0.8% margin of a fully supervised detector. All our code and data is available at https://github.com/AmritaBh/ConDA-gen-text-detection.
Noisy Computing of the $\mathsf{OR}$ and $\mathsf{MAX}$ Functions
Authors: Banghua Zhu, Ziao Wang, Nadim Ghaddar, Jiantao Jiao, Lele Wang
Date: 2023-09-07 00:00:00

We consider the problem of computing a function of $n$ variables using noisy queries, where each query is incorrect with some fixed and known probability $p \in (0,1/2)$. Specifically, we consider the computation of the $\mathsf{OR}$ function of $n$ bits (where queries correspond to noisy readings of the bits) and the $\mathsf{MAX}$ function of $n$ real numbers (where queries correspond to noisy pairwise comparisons). We show that an expected number of queries of \[ (1 \pm o(1)) \frac{n\log \frac{1}{\delta}}{D_{\mathsf{KL}}(p \| 1-p)} \] is both sufficient and necessary to compute both functions with a vanishing error probability $\delta = o(1)$, where $D_{\mathsf{KL}}(p \| 1-p)$ denotes the Kullback-Leibler divergence between $\mathsf{Bern}(p)$ and $\mathsf{Bern}(1-p)$ distributions. Compared to previous work, our results tighten the dependence on $p$ in both the upper and lower bounds for the two functions.
Large-Scale Automatic Audiobook Creation
Authors: Brendan Walsh, Mark Hamilton, Greg Newby, Xi Wang, Serena Ruan, Sheng Zhao, Lei He, Shaofei Zhang, Eric Dettinger, William T. Freeman, Markus Weimer
Date: 2023-09-07 00:00:00
Tasks: text-to-speech, Text to Speech

An audiobook can dramatically improve a work of literature's accessibility and improve reader engagement. However, audiobooks can take hundreds of hours of human effort to create, edit, and publish. In this work, we present a system that can automatically generate high-quality audiobooks from online e-books. In particular, we leverage recent advances in neural text-to-speech to create and release thousands of human-quality, open-license audiobooks from the Project Gutenberg e-book collection. Our method can identify the proper subset of e-book content to read for a wide collection of diversely structured books and can operate on hundreds of books in parallel. Our system allows users to customize an audiobook's speaking speed and style, emotional intonation, and can even match a desired voice using a small amount of sample audio. This work contributed over five thousand open-license audiobooks and an interactive demo that allows users to quickly create their own customized audiobooks. To listen to the audiobook collection visit \url{https://aka.ms/audiobook}.
Automatic Algorithm Selection for Pseudo-Boolean Optimization with Given Computational Time Limits
Authors: Catalina Pezo, Dorit Hochbaum, Julio Godoy, Roberto Asin-Acha
Date: 2023-09-07 00:00:00

Machine learning (ML) techniques have been proposed to automatically select the best solver from a portfolio of solvers, based on predicted performance. These techniques have been applied to various problems, such as Boolean Satisfiability, Traveling Salesperson, Graph Coloring, and others. These methods, known as meta-solvers, take an instance of a problem and a portfolio of solvers as input. They then predict the best-performing solver and execute it to deliver a solution. Typically, the quality of the solution improves with a longer computational time. This has led to the development of anytime selectors, which consider both the instance and a user-prescribed computational time limit. Anytime meta-solvers predict the best-performing solver within the specified time limit. Constructing an anytime meta-solver is considerably more challenging than building a meta-solver without the "anytime" feature. In this study, we focus on the task of designing anytime meta-solvers for the NP-hard optimization problem of Pseudo-Boolean Optimization (PBO), which generalizes Satisfiability and Maximum Satisfiability problems. The effectiveness of our approach is demonstrated via extensive empirical study in which our anytime meta-solver improves dramatically on the performance of Mixed Integer Programming solver Gurobi, which is the best-performing single solver in the portfolio. For example, out of all instances and time limits for which Gurobi failed to find feasible solutions, our meta-solver identified feasible solutions for 47% of these.
Temporal Inductive Path Neural Network for Temporal Knowledge Graph Reasoning
Authors: Hao Dong, Pengyang Wang, Meng Xiao, Zhiyuan Ning, Pengfei Wang, Yuanchun Zhou
Date: 2023-09-06 00:00:00

Temporal Knowledge Graph (TKG) is an extension of traditional Knowledge Graph (KG) that incorporates the dimension of time. Reasoning on TKGs is a crucial task that aims to predict future facts based on historical occurrences. The key challenge lies in uncovering structural dependencies within historical subgraphs and temporal patterns. Most existing approaches model TKGs relying on entity modeling, as nodes in the graph play a crucial role in knowledge representation. However, the real-world scenario often involves an extensive number of entities, with new entities emerging over time. This makes it challenging for entity-dependent methods to cope with extensive volumes of entities, and effectively handling newly emerging entities also becomes a significant challenge. Therefore, we propose Temporal Inductive Path Neural Network (TiPNN), which models historical information in an entity-independent perspective. Specifically, TiPNN adopts a unified graph, namely history temporal graph, to comprehensively capture and encapsulate information from history. Subsequently, we utilize the defined query-aware temporal paths on a history temporal graph to model historical path information related to queries for reasoning. Extensive experiments illustrate that the proposed model not only attains significant performance enhancements but also handles inductive settings, while additionally facilitating the provision of reasoning evidence through history temporal graphs.
Universal Preprocessing Operators for Embedding Knowledge Graphs with Literals
Authors: Patryk Preisner, Heiko Paulheim
Date: 2023-09-06 00:00:00
Tasks: Knowledge Graph Embeddings, Knowledge Graphs

Knowledge graph embeddings are dense numerical representations of entities in a knowledge graph (KG). While the majority of approaches concentrate only on relational information, i.e., relations between entities, fewer approaches exist which also take information about literal values (e.g., textual descriptions or numerical information) into account. Those which exist are typically tailored towards a particular modality of literal and a particular embedding method. In this paper, we propose a set of universal preprocessing operators which can be used to transform KGs with literals for numerical, temporal, textual, and image information, so that the transformed KGs can be embedded with any method. The results on the kgbench dataset with three different embedding methods show promising results.
EdgeFL: A Lightweight Decentralized Federated Learning Framework
Authors: Hongyi Zhang, Jan Bosch, Helena Holmström Olsson
Date: 2023-09-06 00:00:00
Tasks: Federated Learning

Federated Learning (FL) has emerged as a promising approach for collaborative machine learning, addressing data privacy concerns. However, existing FL platforms and frameworks often present challenges for software engineers in terms of complexity, limited customization options, and scalability limitations. In this paper, we introduce EdgeFL, an edge-only lightweight decentralized FL framework, designed to overcome the limitations of centralized aggregation and scalability in FL deployments. By adopting an edge-only model training and aggregation approach, EdgeFL eliminates the need for a central server, enabling seamless scalability across diverse use cases. With a straightforward integration process requiring just four lines of code (LOC), software engineers can easily incorporate FL functionalities into their AI products. Furthermore, EdgeFL offers the flexibility to customize aggregation functions, empowering engineers to adapt them to specific needs. Based on the results, we demonstrate that EdgeFL achieves superior performance compared to existing FL platforms/frameworks. Our results show that EdgeFL reduces weights update latency and enables faster model evolution, enhancing the efficiency of edge devices. Moreover, EdgeFL exhibits improved classification accuracy compared to traditional centralized FL approaches. By leveraging EdgeFL, software engineers can harness the benefits of federated learning while overcoming the challenges associated with existing FL platforms/frameworks.
Estimating irregular water demands with physics-informed machine learning to inform leakage detection
Authors: Ivo Daniel, Andrea Cominola
Date: 2023-09-06 00:00:00
Tasks: Physics-informed machine learning

Leakages in drinking water distribution networks pose significant challenges to water utilities, leading to infrastructure failure, operational disruptions, environmental hazards, property damage, and economic losses. The timely identification and accurate localisation of such leakages is paramount for utilities to mitigate these unwanted effects. However, implementation of algorithms for leakage detection is limited in practice by requirements of either hydraulic models or large amounts of training data. Physics-informed machine learning can utilise hydraulic information thereby circumventing both limitations. In this work, we present a physics-informed machine learning algorithm that analyses pressure data and therefrom estimates unknown irregular water demands via a fully connected neural network, ultimately leveraging the Bernoulli equation and effectively linearising the leakage detection problem. Our algorithm is tested on data from the L-Town benchmark network, and results indicate a good capability for estimating most irregular demands, with R2 larger than 0.8. Identification results for leakages under the presence of irregular demands could be improved by a factor of 5.3 for abrupt leaks and a factor of 3.0 for incipient leaks when compared the results disregarding irregular demands.
Efficient Query-Based Attack against ML-Based Android Malware Detection under Zero Knowledge Setting
Authors: Ping He, Yifan Xia, Xuhong Zhang, Shouling Ji
Date: 2023-09-05 00:00:00
Tasks: Android Malware Detection, Malware Detection

The widespread adoption of the Android operating system has made malicious Android applications an appealing target for attackers. Machine learning-based (ML-based) Android malware detection (AMD) methods are crucial in addressing this problem; however, their vulnerability to adversarial examples raises concerns. Current attacks against ML-based AMD methods demonstrate remarkable performance but rely on strong assumptions that may not be realistic in real-world scenarios, e.g., the knowledge requirements about feature space, model parameters, and training dataset. To address this limitation, we introduce AdvDroidZero, an efficient query-based attack framework against ML-based AMD methods that operates under the zero knowledge setting. Our extensive evaluation shows that AdvDroidZero is effective against various mainstream ML-based AMD methods, in particular, state-of-the-art such methods and real-world antivirus solutions.
On the Challenges of Building Datasets for Hate Speech Detection
Authors: Vitthal Bhandari
Date: 2023-09-06 00:00:00
Tasks: Hate Speech Detection

Detection of hate speech has been formulated as a standalone application of NLP and different approaches have been adopted for identifying the target groups, obtaining raw data, defining the labeling process, choosing the detection algorithm, and evaluating the performance in the desired setting. However, unlike other downstream tasks, hate speech suffers from the lack of large-sized, carefully curated, generalizable datasets owing to the highly subjective nature of the task. In this paper, we first analyze the issues surrounding hate speech detection through a data-centric lens. We then outline a holistic framework to encapsulate the data creation pipeline across seven broad dimensions by taking the specific example of hate speech towards sexual minorities. We posit that practitioners would benefit from following this framework as a form of best practice when creating hate speech datasets in the future.
DECODE: Data-driven Energy Consumption Prediction leveraging Historical Data and Environmental Factors in Buildings
Authors: Aditya Mishra, Haroon R. Lone, Aayush Mishra
Date: 2023-09-06 00:00:00
Tasks: energy management, Management, Prediction

Energy prediction in buildings plays a crucial role in effective energy management. Precise predictions are essential for achieving optimal energy consumption and distribution within the grid. This paper introduces a Long Short-Term Memory (LSTM) model designed to forecast building energy consumption using historical energy data, occupancy patterns, and weather conditions. The LSTM model provides accurate short, medium, and long-term energy predictions for residential and commercial buildings compared to existing prediction models. We compare our LSTM model with established prediction methods, including linear regression, decision trees, and random forest. Encouragingly, the proposed LSTM model emerges as the superior performer across all metrics. It demonstrates exceptional prediction accuracy, boasting the highest R2 score of 0.97 and the most favorable mean absolute error (MAE) of 0.007. An additional advantage of our developed model is its capacity to achieve efficient energy consumption forecasts even when trained on a limited dataset. We address concerns about overfitting (variance) and underfitting (bias) through rigorous training and evaluation on real-world data. In summary, our research contributes to energy prediction by offering a robust LSTM model that outperforms alternative methods and operates with remarkable efficiency, generalizability, and reliability.