pwc-archive/papers-with-abstracts huggingface dataset:
When to Trust Your Data: Enhancing Dyna-Style Model-Based Reinforcement Learning With Data Filter
Authors: Yansong Li, Zeyu Dong, Ertai Luo, Yu Wu, Shuo Wu, Shuo Han
Date: 2024-10-16 00:00:00
Tasks: Model-based Reinforcement Learning, Reinforcement Learning (RL)

Reinforcement learning (RL) algorithms can be divided into two classes: model-free algorithms, which are sample-inefficient, and model-based algorithms, which suffer from model bias. Dyna-style algorithms combine these two approaches by using simulated data from an estimated environmental model to accelerate model-free training. However, their efficiency is compromised when the estimated model is inaccurate. Previous works address this issue by using model ensembles or pretraining the estimated model with data collected from the real environment, increasing computational and sample complexity. To tackle this issue, we introduce an out-of-distribution (OOD) data filter that removes simulated data from the estimated model that significantly diverges from data collected in the real environment. We show theoretically that this technique enhances the quality of simulated data. With the help of the OOD data filter, the data simulated from the estimated model better mimics the data collected by interacting with the real model. This improvement is evident in the critic updates compared to using the simulated data without the OOD data filter. Our experiment integrates the data filter into the model-based policy optimization (MBPO) algorithm. The results demonstrate that our method requires fewer interactions with the real environment to achieve a higher level of optimality than MBPO, even without a model ensemble.
NSSI-Net: Multi-Concept Generative Adversarial Network for Non-Suicidal Self-Injury Detection Using High-Dimensional EEG Signals in a Semi-Supervised Learning Framework
Authors: Zhen Liang, Weishan Ye, Qile Liu, Li Zhang, Gan Huang, Yongjie Zhou
Date: 2024-10-16 00:00:00
Tasks: EEG, Generative Adversarial Network

Non-suicidal self-injury (NSSI) is a serious threat to the physical and mental health of adolescents, significantly increasing the risk of suicide and attracting widespread public concern. Electroencephalography (EEG), as an objective tool for identifying brain disorders, holds great promise. However, extracting meaningful and reliable features from high-dimensional EEG data, especially by integrating spatiotemporal brain dynamics into informative representations, remains a major challenge. In this study, we introduce an advanced semi-supervised adversarial network, NSSI-Net, to effectively model EEG features related to NSSI. NSSI-Net consists of two key modules: a spatial-temporal feature extraction module and a multi-concept discriminator. In the spatial-temporal feature extraction module, an integrated 2D convolutional neural network (2D-CNN) and a bi-directional Gated Recurrent Unit (BiGRU) are used to capture both spatial and temporal dynamics in EEG data. In the multi-concept discriminator, signal, gender, domain, and disease levels are fully explored to extract meaningful EEG features, considering individual, demographic, disease variations across a diverse population. Based on self-collected NSSI data (n=114), the model's effectiveness and reliability are demonstrated, with a 7.44% improvement in performance compared to existing machine learning and deep learning methods. This study advances the understanding and early diagnosis of NSSI in adolescents with depression, enabling timely intervention. The source code is available at https://github.com/Vesan-yws/NSSINet.
FragNet: A Graph Neural Network for Molecular Property Prediction with Four Levels of Interpretability
Authors: Gihan Panapitiya, Peiyuan Gao, C Mark Maupin, Emily G Saldanha
Date: 2024-10-16 00:00:00
Tasks: Drug Discovery, Graph Neural Network, Molecular Property Prediction, Prediction, Property Prediction

Molecular property prediction is essential in a variety of contemporary scientific fields, such as drug development and designing energy storage materials. Although there are many machine learning models available for this purpose, those that achieve high accuracy while also offering interpretability of predictions are uncommon. We present a graph neural network that not only matches the prediction accuracies of leading models but also provides insights on four levels of molecular substructures. This model helps identify which atoms, bonds, molecular fragments, and connections between fragments are significant for predicting a specific molecular property. Understanding the importance of connections between fragments is particularly valuable for molecules with substructures that do not connect through standard bonds. The model additionally can quantify the impact of specific fragments on the prediction, allowing the identification of fragments that may improve or degrade a property value. These interpretable features are essential for deriving scientific insights from the model's learned relationships between molecular structures and properties.
Preference Optimization with Multi-Sample Comparisons
Authors: Chaoqi Wang, Zhuokai Zhao, Chen Zhu, Karthik Abinav Sankararaman, Michal Valko, Xuefei Cao, Zhaorun Chen, Madian Khabsa, Yuxin Chen, Hao Ma, Sinong Wang
Date: 2024-10-16 00:00:00
Tasks: Diversity

Recent advancements in generative models, particularly large language models (LLMs) and diffusion models, have been driven by extensive pretraining on large datasets followed by post-training. However, current post-training methods such as reinforcement learning from human feedback (RLHF) and direct alignment from preference methods (DAP) primarily utilize single-sample comparisons. These approaches often fail to capture critical characteristics such as generative diversity and bias, which are more accurately assessed through multiple samples. To address these limitations, we introduce a novel approach that extends post-training to include multi-sample comparisons. To achieve this, we propose Multi-sample Direct Preference Optimization (mDPO) and Multi-sample Identity Preference Optimization (mIPO). These methods improve traditional DAP methods by focusing on group-wise characteristics. Empirically, we demonstrate that multi-sample comparison is more effective in optimizing collective characteristics~(e.g., diversity and bias) for generative models than single-sample comparison. Additionally, our findings suggest that multi-sample comparisons provide a more robust optimization framework, particularly for dataset with label noise.
What Do LLMs Need to Understand Graphs: A Survey of Parametric Representation of Graphs
Authors: Dongqi Fu, Liri Fang, Zihao Li, Hanghang Tong, Vetle I. Torvik, Jingrui He
Date: 2024-10-16 00:00:00
Tasks: Drug Discovery, Graph Generation, Hallucination, Link Prediction, Position, Protein Design, Recommendation Systems, Representation Learning

Graphs, as a relational data structure, have been widely used for various application scenarios, like molecule design and recommender systems. Recently, large language models (LLMs) are reorganizing in the AI community for their expected reasoning and inference abilities. Making LLMs understand graph-based relational data has great potential, including but not limited to (1) distillate external knowledge base for eliminating hallucination and breaking the context window limit for LLMs' inference during the retrieval augmentation generation process; (2) taking graph data as the input and directly solve the graph-based research tasks like protein design and drug discovery. However, inputting the entire graph data to LLMs is not practical due to its complex topological structure, data size, and the lack of effective and efficient semantic graph representations. A natural question arises: Is there a kind of graph representation that can be described by natural language for LLM's understanding and is also easy to require to serve as the raw input for LLMs? Based on statistical computation, graph laws pre-define a set of parameters (e.g., degree, time, diameter) and identifie their relationships and values by observing the topological distribution of plenty of real-world graph data. We believe this kind of parametric representation of graphs, graph laws, can be a solution for making LLMs understand graph data as the input. In this survey, we first review the previous study of graph laws from multiple perspectives, i.e., macroscope and microscope of graphs, low-order and high-order graphs, static and dynamic graphs, different observation spaces, and newly proposed graph parameters. After we review various real-world applications benefiting from the guidance of graph laws, we conclude the paper with current challenges and future research directions.
Scaling Laws for Post Training Quantized Large Language Models
Authors: Zifei Xu, Alexander Lan, Wanzin Yazar, Tristan Webb, Sayeh Sharify, Xin Wang
Date: 2024-10-15 00:00:00
Tasks: Quantization

Generalization abilities of well-trained large language models (LLMs) are known to scale predictably as a function of model size. In contrast to the existence of practical scaling laws governing pre-training, the quality of LLMs after post-training compression remains highly unpredictable, often requiring case-by-case validation in practice. In this work, we attempted to close this gap for post-training weight quantization of LLMs by conducting a systematic empirical study on multiple LLM families quantized to numerous low-precision tensor data types using popular weight quantization techniques. We identified key scaling factors pertaining to characteristics of the local loss landscape, based on which the performance of quantized LLMs can be reasonably well predicted by a statistical model.
To Err is AI : A Case Study Informing LLM Flaw Reporting Practices
Authors: Sean McGregor, Allyson Ettinger, Nick Judd, Paul Albee, Liwei Jiang, Kavel Rao, Will Smith, Shayne Longpre, Avijit Ghosh, Christopher Fiorelli, Michelle Hoang, Sven Cattell, Nouha Dziri
Date: 2024-10-15 00:00:00
Tasks: Language Modeling, Language Modelling

In August of 2024, 495 hackers generated evaluations in an open-ended bug bounty targeting the Open Language Model (OLMo) from The Allen Institute for AI. A vendor panel staffed by representatives of OLMo's safety program adjudicated changes to OLMo's documentation and awarded cash bounties to participants who successfully demonstrated a need for public disclosure clarifying the intent, capacities, and hazards of model deployment. This paper presents a collection of lessons learned, illustrative of flaw reporting best practices intended to reduce the likelihood of incidents and produce safer large language models (LLMs). These include best practices for safety reporting processes, their artifacts, and safety program staffing.
The Persian Rug: solving toy models of superposition using large-scale symmetries
Authors: Aditya Cowsik, Kfir Dolev, Alex Infanger
Date: 2024-10-15 00:00:00

We present a complete mechanistic description of the algorithm learned by a minimal non-linear sparse data autoencoder in the limit of large input dimension. The model, originally presented in arXiv:2209.10652, compresses sparse data vectors through a linear layer and decompresses using another linear layer followed by a ReLU activation. We notice that when the data is permutation symmetric (no input feature is privileged) large models reliably learn an algorithm that is sensitive to individual weights only through their large-scale statistics. For these models, the loss function becomes analytically tractable. Using this understanding, we give the explicit scalings of the loss at high sparsity, and show that the model is near-optimal among recently proposed architectures. In particular, changing or adding to the activation function any elementwise or filtering operation can at best improve the model's performance by a constant factor. Finally, we forward-engineer a model with the requisite symmetries and show that its loss precisely matches that of the trained models. Unlike the trained model weights, the low randomness in the artificial weights results in miraculous fractal structures resembling a Persian rug, to which the algorithm is oblivious. Our work contributes to neural network interpretability by introducing techniques for understanding the structure of autoencoders. Code to reproduce our results can be found at https://github.com/KfirD/PersianRug .
Bridging Large Language Models and Graph Structure Learning Models for Robust Representation Learning
Authors: Guangxin Su, Yifan Zhu, Wenjie Zhang, Hanchen Wang, Ying Zhang
Date: 2024-10-15 00:00:00
Tasks: Graph Representation Learning, Graph structure learning, Representation Learning, Small Language Model

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node features with large language models (LLMs) and on graph structures with graph structure learning models (GSLMs). In this paper, we introduce LangGSL, a robust framework that integrates the complementary strengths of pre-trained language models and GSLMs to jointly enhance both node feature and graph structure learning. In LangGSL, we first leverage LLMs to filter noise in the raw data and extract valuable cleaned information as features, enhancing the synergy of downstream models. During the mutual learning phase in LangGSL, the core idea is to leverage the relatively small language model (LM) to process local attributes and generate reliable pseudo-labels and informative node embeddings, which are then integrated into the GSLM's prediction phase. This approach enriches the global context and enhances overall performance. Meanwhile, GSLM refines the evolving graph structure constructed from the LM's output, offering updated labels back to the LM as additional guidance, thus facilitating a more effective mutual learning process. The LM and GSLM work synergistically, complementing each other's strengths and offsetting weaknesses within a variational information-maximizing framework, resulting in enhanced node features and a more robust graph structure. Extensive experiments on diverse graph datasets of varying scales and across different task scenarios demonstrate the scalability and effectiveness of the proposed approach.
Comparative Performance of Collaborative Bandit Algorithms: Effect of Sparsity and Exploration Intensity
Authors: Eren Ozbay
Date: 2024-10-15 00:00:00
Tasks: Clustering, Multi-Armed Bandits

This paper offers a comprehensive analysis of collaborative bandit algorithms and provides a thorough comparison of their performance. Collaborative bandits aim to improve the performance of contextual bandits by introducing relationships between arms (or items), allowing effective propagation of information. Collaboration among arms allows the feedback obtained through a single user (item) to be shared across related users (items). Introducing collaboration also alleviates the cold user (item) problem, i.e., lack of historical information when a new user (item) arriving to the platform with no prior record of interactions. In the context of modeling the relationships between arms (items), there are two main approaches: Hard and soft clustering. We call approaches that model the relationship between arms in an \textit{absolute} manner as hard clustering, i.e., the relationship is binary. Soft clustering relaxes membership constraints, allowing \textit{fuzzy} assignment. Focusing on the latter, we provide extensive experiments on the state-of-the-art collaborative contextual bandit algorithms and investigate the effect of sparsity and how the exploration intensity acts as a correction mechanism. Our numerical experiments demonstrate that controlling for sparsity in collaboration improves data efficiency and performance as it better informs learning. Meanwhile, increasing the exploration intensity acts as a correction because it effectively reduces variance due to potentially misspecified relationships among users. We observe that this misspecification is further remedied by introducing latent factors, and thus, increasing the dimensionality of the bandit parameters.
Learning to rumble: Automated elephant call classification, detection and endpointing using deep architectures
Authors: Christiaan M. Geldenhuys, Thomas R. Niesler
Date: 2024-10-15 00:00:00
Tasks: Classification, Management, Transfer Learning

We consider the problem of detecting, isolating and classifying elephant calls in continuously recorded audio. Such automatic call characterisation can assist conservation efforts and inform environmental management strategies. In contrast to previous work in which call detection was performed at a segment level, we perform call detection at a frame level which implicitly also allows call endpointing, the isolation of a call in a longer recording. For experimentation, we employ two annotated datasets, one containing Asian and the other African elephant vocalisations. We evaluate several shallow and deep classifier models, and show that the current best performance can be improved by using an audio spectrogram transformer (AST), a neural architecture which has not been used for this purpose before, and which we have configured in a novel sequence-to-sequence manner. We also show that using transfer learning by pre-training leads to further improvements both in terms of computational complexity and performance. Finally, we consider sub-call classification using an accepted taxonomy of call types, a task which has not previously been considered. We show that also in this case the transformer architectures provide the best performance. Our best classifiers achieve an average precision (AP) of 0.962 for framewise binary call classification, and an area under the receiver operating characteristic (AUC) of 0.957 and 0.979 for call classification with 5 classes and sub-call classification with 7 classes respectively. All of these represent either new benchmarks (sub-call classifications) or improvements on previously best systems. We conclude that a fully-automated elephant call detection and subcall classification system is within reach. Such a system would provide valuable information on the behaviour and state of elephant herds for the purposes of conservation and management.
Taking off the Rose-Tinted Glasses: A Critical Look at Adversarial ML Through the Lens of Evasion Attacks
Authors: Kevin Eykholt, Farhan Ahmed, Pratik Vaishnavi, Amir Rahmati
Date: 2024-10-15 00:00:00

The vulnerability of machine learning models in adversarial scenarios has garnered significant interest in the academic community over the past decade, resulting in a myriad of attacks and defenses. However, while the community appears to be overtly successful in devising new attacks across new contexts, the development of defenses has stalled. After a decade of research, we appear no closer to securing AI applications beyond additional training. Despite a lack of effective mitigations, AI development and its incorporation into existing systems charge full speed ahead with the rise of generative AI and large language models. Will our ineffectiveness in developing solutions to adversarial threats further extend to these new technologies? In this paper, we argue that overly permissive attack and overly restrictive defensive threat models have hampered defense development in the ML domain. Through the lens of adversarial evasion attacks against neural networks, we critically examine common attack assumptions, such as the ability to bypass any defense not explicitly built into the model. We argue that these flawed assumptions, seen as reasonable by the community based on paper acceptance, have encouraged the development of adversarial attacks that map poorly to real-world scenarios. In turn, new defenses evaluated against these very attacks are inadvertently required to be almost perfect and incorporated as part of the model. But do they need to? In practice, machine learning models are deployed as a small component of a larger system. We analyze adversarial machine learning from a system security perspective rather than an AI perspective and its implications for emerging AI paradigms.
Beyond the Comfort Zone: Emerging Solutions to Overcome Challenges in Integrating LLMs into Software Products
Authors: Nadia Nahar, Christian Kästner, Jenna Butler, Chris Parnin, Thomas Zimmermann, Christian Bird
Date: 2024-10-15 00:00:00
Tasks: Navigate

Large Language Models (LLMs) are increasingly embedded into software products across diverse industries, enhancing user experiences, but at the same time introducing numerous challenges for developers. Unique characteristics of LLMs force developers, who are accustomed to traditional software development and evaluation, out of their comfort zones as the LLM components shatter standard assumptions about software systems. This study explores the emerging solutions that software developers are adopting to navigate the encountered challenges. Leveraging a mixed-method research, including 26 interviews and a survey with 332 responses, the study identifies 19 emerging solutions regarding quality assurance that practitioners across several product teams at Microsoft are exploring. The findings provide valuable insights that can guide the development and evaluation of LLM-based products more broadly in the face of these challenges.
LegalLens Shared Task 2024: Legal Violation Identification in Unstructured Text
Authors: Ben Hagag, Liav Harpaz, Gil Semo, Dor Bernsohn, Rohit Saha, Pashootan Vaezipoor, Kyryl Truskovskyi, Gerasimos Spanakis
Date: 2024-10-15 00:00:00
Tasks: NER

This paper presents the results of the LegalLens Shared Task, focusing on detecting legal violations within text in the wild across two sub-tasks: LegalLens-NER for identifying legal violation entities and LegalLens-NLI for associating these violations with relevant legal contexts and affected individuals. Using an enhanced LegalLens dataset covering labor, privacy, and consumer protection domains, 38 teams participated in the task. Our analysis reveals that while a mix of approaches was used, the top-performing teams in both tasks consistently relied on fine-tuning pre-trained language models, outperforming legal-specific models and few-shot methods. The top-performing team achieved a 7.11% improvement in NER over the baseline, while NLI saw a more marginal improvement of 5.7%. Despite these gains, the complexity of legal texts leaves room for further advancements.
Testing Causal Explanations: A Case Study for Understanding the Effect of Interventions on Chronic Kidney Disease
Authors: Panayiotis Petousis, David Gordon, Susanne B. Nicholas, Alex A. T. Bui
Date: 2024-10-15 00:00:00
Tasks: Kidney Function

Randomized controlled trials (RCTs) are the standard for evaluating the effectiveness of clinical interventions. To address the limitations of RCTs on real-world populations, we developed a methodology that uses a large observational electronic health record (EHR) dataset. Principles of regression discontinuity (rd) were used to derive randomized data subsets to test expert-driven interventions using dynamic Bayesian Networks (DBNs) do-operations. This combined method was applied to a chronic kidney disease (CKD) cohort of more than two million individuals and used to understand the associational and causal relationships of CKD variables with respect to a surrogate outcome of >=40% decline in estimated glomerular filtration rate (eGFR). The associational and causal analyses depicted similar findings across DBNs from two independent healthcare systems. The associational analysis showed that the most influential variables were eGFR, urine albumin-to-creatinine ratio, and pulse pressure, whereas the causal analysis showed eGFR as the most influential variable, followed by modifiable factors such as medications that may impact kidney function over time. This methodology demonstrates how real-world EHR data can be used to provide population-level insights to inform improved healthcare delivery.