pwc-archive/papers-with-abstracts huggingface dataset:
Enhancing Tabular Data Optimization with a Flexible Graph-based Reinforced Exploration Strategy
Authors: Xiaohan Huang, Dongjie Wang, Zhiyuan Ning, Ziyue Qiao, Qingqing Long, Haowei Zhu, Min Wu, Yuanchun Zhou, Meng Xiao
Date: 2024-06-11 00:00:00
Tasks: Decision Making, Feature Engineering

Tabular data optimization methods aim to automatically find an optimal feature transformation process that generates high-value features and improves the performance of downstream machine learning tasks. Current frameworks for automated feature transformation rely on iterative sequence generation tasks, optimizing decision strategies through performance feedback from downstream tasks. However, these approaches fail to effectively utilize historical decision-making experiences and overlook potential relationships among generated features, thus limiting the depth of knowledge extraction. Moreover, the granularity of the decision-making process lacks dynamic backtracking capabilities for individual features, leading to insufficient adaptability when encountering inefficient pathways, adversely affecting overall robustness and exploration efficiency. To address the limitations observed in current automatic feature engineering frameworks, we introduce a novel method that utilizes a feature-state transformation graph to effectively preserve the entire feature transformation journey, where each node represents a specific transformation state. During exploration, three cascading agents iteratively select nodes and idea mathematical operations to generate new transformation states. This strategy leverages the inherent properties of the graph structure, allowing for the preservation and reuse of valuable transformations. It also enables backtracking capabilities through graph pruning techniques, which can rectify inefficient transformation paths. To validate the efficacy and flexibility of our approach, we conducted comprehensive experiments and detailed case studies, demonstrating superior performance in diverse scenarios.
A Survey on Recent Random Walk-based Methods for Embedding Knowledge Graphs
Authors: Elika Bozorgi, Sakher Khalil Alqaiidi, Afsaneh Shams, Hamid Reza Arabnia, Krzysztof Kochut
Date: 2024-06-11 00:00:00
Tasks: Knowledge Graphs, Self-Driving Cars

Machine learning, deep learning, and NLP methods on knowledge graphs are present in different fields and have important roles in various domains from self-driving cars to friend recommendations on social media platforms. However, to apply these methods to knowledge graphs, the data usually needs to be in an acceptable size and format. In fact, knowledge graphs normally have high dimensions and therefore we need to transform them to a low-dimensional vector space. An embedding is a low-dimensional space into which you can translate high dimensional vectors in a way that intrinsic features of the input data are preserved. In this review, we first explain knowledge graphs and their embedding and then review some of the random walk-based embedding methods that have been developed recently.
Guiding LLM Temporal Logic Generation with Explicit Separation of Data and Control
Authors: William Murphy, Nikolaus Holzer, Nathan Koenig, Leyi Cui, Raven Rothkopf, Feitong Qiao, Mark Santolucito
Date: 2024-06-11 00:00:00
Tasks: Program Synthesis

Temporal logics are powerful tools that are widely used for the synthesis and verification of reactive systems. The recent progress on Large Language Models (LLMs) has the potential to make the process of writing such specifications more accessible. However, writing specifications in temporal logics remains challenging for all but the most expert users. A key question in using LLMs for temporal logic specification engineering is to understand what kind of guidance is most helpful to the LLM and the users to easily produce specifications. Looking specifically at the problem of reactive program synthesis, we explore the impact of providing an LLM with guidance on the separation of control and data--making explicit for the LLM what functionality is relevant for the specification, and treating the remaining functionality as an implementation detail for a series of pre-defined functions and predicates. We present a benchmark set and find that this separation of concerns improves specification generation. Our benchmark provides a test set against which to verify future work in LLM generation of temporal logic specifications.
Redefining Automotive Radar Imaging: A Domain-Informed 1D Deep Learning Approach for High-Resolution and Efficient Performance
Authors: Ruxin Zheng, Shunqiao Sun, Holger Caesar, Honglei Chen, Jian Li
Date: 2024-06-11 00:00:00
Tasks: Autonomous Vehicles, Super-Resolution

Millimeter-wave (mmWave) radars are indispensable for perception tasks of autonomous vehicles, thanks to their resilience in challenging weather conditions. Yet, their deployment is often limited by insufficient spatial resolution for precise semantic scene interpretation. Classical super-resolution techniques adapted from optical imaging inadequately address the distinct characteristics of radar signal data. In response, our study redefines radar imaging super-resolution as a one-dimensional (1D) signal super-resolution spectra estimation problem by harnessing the radar signal processing domain knowledge, introducing innovative data normalization and a domain-informed signal-to-noise ratio (SNR)-guided loss function. Our tailored deep learning network for automotive radar imaging exhibits remarkable scalability, parameter efficiency and fast inference speed, alongside enhanced performance in terms of radar imaging quality and resolution. Extensive testing confirms that our SR-SPECNet sets a new benchmark in producing high-resolution radar range-azimuth images, outperforming existing methods across varied antenna configurations and dataset sizes. Source code and new radar dataset will be made publicly available online.
Improving the realism of robotic surgery simulation through injection of learning-based estimated errors
Authors: Juan Antonio Barragan, Hisashi Ishida, Adnan Munawar, Peter Kazanzides
Date: 2024-06-11 00:00:00

The development of algorithms for automation of subtasks during robotic surgery can be accelerated by the availability of realistic simulation environments. In this work, we focus on one aspect of the realism of a surgical simulator, which is the positional accuracy of the robot. In current simulators, robots have perfect or near-perfect accuracy, which is not representative of their physical counterparts. We therefore propose a pair of neural networks, trained by data collected from a physical robot, to estimate both the controller error and the kinematic and non-kinematic error. These error estimates are then injected within the simulator to produce a simulated robot that has the characteristic performance of the physical robot. In this scenario, we believe it is sufficient for the estimated error used in the simulation to have a statistically similar distribution to the actual error of the physical robot. This is less stringent, and therefore more tenable, than the requirement for error compensation of a physical robot, where the estimated error should equal the actual error. Our results demonstrate that error injection reduces the mean position and orientation differences between the simulated and physical robots from 5.0 mm / 3.6 deg to 1.3 mm / 1.7 deg, respectively, which represents reductions by factors of 3.8 and 2.1.
Closing the Computational-Query Depth Gap in Parallel Stochastic Convex Optimization
Authors: Arun Jambulapati, Aaron Sidford, Kevin Tian
Date: 2024-06-11 00:00:00

We develop a new parallel algorithm for minimizing Lipschitz, convex functions with a stochastic subgradient oracle. The total number of queries made and the query depth, i.e., the number of parallel rounds of queries, match the prior state-of-the-art, [CJJLLST23], while improving upon the computational depth by a polynomial factor for sufficiently small accuracy. When combined with previous state-of-the-art methods our result closes a gap between the best-known query depth and the best-known computational depth of parallel algorithms. Our method starts with a ball acceleration framework of previous parallel methods, i.e., [CJJJLST20, ACJJS21], which reduce the problem to minimizing a regularized Gaussian convolution of the function constrained to Euclidean balls. By developing and leveraging new stability properties of the Hessian of this induced function, we depart from prior parallel algorithms and reduce these ball-constrained optimization problems to stochastic unconstrained quadratic minimization problems. Although we are unable to prove concentration of the asymmetric matrices that we use to approximate this Hessian, we nevertheless develop an efficient parallel method for solving these quadratics. Interestingly, our algorithms can be improved using fast matrix multiplication and use nearly-linear work if the matrix multiplication exponent is 2.
DR-RAG: Applying Dynamic Document Relevance to Retrieval-Augmented Generation for Question-Answering
Authors: Zijian Hei, Weiling Liu, Wenjie Ou, Juyi Qiao, Junming Jiao, Guowen Song, Ting Tian, Yi Lin
Date: 2024-06-11 00:00:00
Tasks: Question Answering, RAG, Retrieval, Retrieval-augmented Generation

Retrieval-Augmented Generation (RAG) has recently demonstrated the performance of Large Language Models (LLMs) in the knowledge-intensive tasks such as Question-Answering (QA). RAG expands the query context by incorporating external knowledge bases to enhance the response accuracy. However, it would be inefficient to access LLMs multiple times for each query and unreliable to retrieve all the relevant documents by a single query. We have found that even though there is low relevance between some critical documents and query, it is possible to retrieve the remaining documents by combining parts of the documents with the query. To mine the relevance, a two-stage retrieval framework called Dynamic-Relevant Retrieval-Augmented Generation (DR-RAG) is proposed to improve document retrieval recall and the accuracy of answers while maintaining efficiency. Additionally, a compact classifier is applied to two different selection strategies to determine the contribution of the retrieved documents to answering the query and retrieve the relatively relevant documents. Meanwhile, DR-RAG call the LLMs only once, which significantly improves the efficiency of the experiment. The experimental results on multi-hop QA datasets show that DR-RAG can significantly improve the accuracy of the answers and achieve new progress in QA systems.
Transferring Knowledge from Large Foundation Models to Small Downstream Models
Authors: Shikai Qiu, Boran Han, Danielle C. Maddix, Shuai Zhang, Yuyang Wang, Andrew Gordon Wilson
Date: 2024-06-11 00:00:00
Tasks: Transfer Learning

How do we transfer the relevant knowledge from ever larger foundation models into small, task-specific downstream models that can run at much lower costs? Standard transfer learning using pre-trained weights as the initialization transfers limited information and commits us to often massive pre-trained architectures. This procedure also precludes combining multiple pre-trained models that learn complementary information. To address these shortcomings, we introduce Adaptive Feature Transfer (AFT). Instead of transferring weights, AFT operates purely on features, thereby decoupling the choice of the pre-trained model from the smaller downstream model. Rather than indiscriminately compressing all pre-trained features, AFT adaptively transfers pre-trained features that are most useful for performing the downstream task, using a simple regularization that adds minimal overhead. Across multiple vision, language, and multi-modal datasets, AFT achieves significantly better downstream performance compared to alternatives with a similar computational cost. Furthermore, AFT reliably translates improvement in pre-trained models into improvement in downstream performance, even if the downstream model is over $50\times$ smaller, and can effectively transfer complementary information learned by multiple pre-trained models.
Realistic Data Generation for 6D Pose Estimation of Surgical Instruments
Authors: Juan Antonio Barragan, Jintan Zhang, Haoying Zhou, Adnan Munawar, Peter Kazanzides
Date: 2024-06-11 00:00:00
Tasks: 6D Pose Estimation, Pose Estimation

Automation in surgical robotics has the potential to improve patient safety and surgical efficiency, but it is difficult to achieve due to the need for robust perception algorithms. In particular, 6D pose estimation of surgical instruments is critical to enable the automatic execution of surgical maneuvers based on visual feedback. In recent years, supervised deep learning algorithms have shown increasingly better performance at 6D pose estimation tasks; yet, their success depends on the availability of large amounts of annotated data. In household and industrial settings, synthetic data, generated with 3D computer graphics software, has been shown as an alternative to minimize annotation costs of 6D pose datasets. However, this strategy does not translate well to surgical domains as commercial graphics software have limited tools to generate images depicting realistic instrument-tissue interactions. To address these limitations, we propose an improved simulation environment for surgical robotics that enables the automatic generation of large and diverse datasets for 6D pose estimation of surgical instruments. Among the improvements, we developed an automated data generation pipeline and an improved surgical scene. To show the applicability of our system, we generated a dataset of 7.5k images with pose annotations of a surgical needle that was used to evaluate a state-of-the-art pose estimation network. The trained model obtained a mean translational error of 2.59mm on a challenging dataset that presented varying levels of occlusion. These results highlight our pipeline's success in training and evaluating novel vision algorithms for surgical robotics applications.
Rethinking the impact of noisy labels in graph classification: A utility and privacy perspective
Authors: De Li, Xianxian Li, Zeming Gan, Qiyu Li, Bin Qu, Jinyan Wang
Date: 2024-06-11 00:00:00
Tasks: Classification, Contrastive Learning, Data Augmentation, Graph Classification, Graph Neural Network, Node Classification

Graph neural networks based on message-passing mechanisms have achieved advanced results in graph classification tasks. However, their generalization performance degrades when noisy labels are present in the training data. Most existing noisy labeling approaches focus on the visual domain or graph node classification tasks and analyze the impact of noisy labels only from a utility perspective. Unlike existing work, in this paper, we measure the effects of noise labels on graph classification from data privacy and model utility perspectives. We find that noise labels degrade the model's generalization performance and enhance the ability of membership inference attacks on graph data privacy. To this end, we propose the robust graph neural network approach with noisy labeled graph classification. Specifically, we first accurately filter the noisy samples by high-confidence samples and the first feature principal component vector of each class. Then, the robust principal component vectors and the model output under data augmentation are utilized to achieve noise label correction guided by dual spatial information. Finally, supervised graph contrastive learning is introduced to enhance the embedding quality of the model and protect the privacy of the training graph data. The utility and privacy of the proposed method are validated by comparing twelve different methods on eight real graph classification datasets. Compared with the state-of-the-art methods, the RGLC method achieves at most and at least 7.8% and 0.8% performance gain at 30% noisy labeling rate, respectively, and reduces the accuracy of privacy attacks to below 60%.
Multi-objective Reinforcement learning from AI Feedback
Authors: Marcus Williams
Date: 2024-06-11 00:00:00
Tasks: Language Modeling, Language Modelling, Multi-Objective Reinforcement Learning, reinforcement-learning, Reinforcement Learning

This paper presents Multi-Objective Reinforcement Learning from AI Feedback (MORLAIF), a novel approach to improving the alignment and performance of language models trained using reinforcement learning from AI feedback (RLAIF). In contrast to standard approaches that train a single preference model to represent all human preferences, MORLAIF decomposes this task into multiple simpler principles, such as toxicity, factuality, and sycophancy. Separate preference models are trained for each principle using feedback from GPT-3.5-Turbo. These preference model scores are then combined using different scalarization functions to provide a reward signal for Proximal Policy Optimization (PPO) training of the target language model. Our experiments indicate that MORLAIF outperforms the standard RLAIF baselines and that MORLAIF can be used to align larger language models using smaller ones. Surprisingly, the choice of scalarization function does not appear to significantly impact the results.
Active learning for affinity prediction of antibodies
Authors: Alexandra Gessner, Sebastian W. Ober, Owen Vickery, Dino Oglić, Talip Uçar
Date: 2024-06-11 00:00:00
Tasks: Active Learning, Prediction

The primary objective of most lead optimization campaigns is to enhance the binding affinity of ligands. For large molecules such as antibodies, identifying mutations that enhance antibody affinity is particularly challenging due to the combinatorial explosion of potential mutations. When the structure of the antibody-antigen complex is available, relative binding free energy (RBFE) methods can offer valuable insights into how different mutations will impact the potency and selectivity of a drug candidate, thereby reducing the reliance on costly and time-consuming wet-lab experiments. However, accurately simulating the physics of large molecules is computationally intensive. We present an active learning framework that iteratively proposes promising sequences for simulators to evaluate, thereby accelerating the search for improved binders. We explore different modeling approaches to identify the most effective surrogate model for this task, and evaluate our framework both using pre-computed pools of data and in a realistic full-loop setting.
Hybrid Reinforcement Learning from Offline Observation Alone
Authors: Yuda Song, J. Andrew Bagnell, Aarti Singh
Date: 2024-06-11 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

We consider the hybrid reinforcement learning setting where the agent has access to both offline data and online interactive access. While Reinforcement Learning (RL) research typically assumes offline data contains complete action, reward and transition information, datasets with only state information (also known as observation-only datasets) are more general, abundant and practical. This motivates our study of the hybrid RL with observation-only offline dataset framework. While the task of competing with the best policy "covered" by the offline data can be solved if a reset model of the environment is provided (i.e., one that can be reset to any state), we show evidence of hardness when only given the weaker trace model (i.e., one can only reset to the initial states and must produce full traces through the environment), without further assumption of admissibility of the offline data. Under the admissibility assumptions -- that the offline data could actually be produced by the policy class we consider -- we propose the first algorithm in the trace model setting that provably matches the performance of algorithms that leverage a reset model. We also perform proof-of-concept experiments that suggest the effectiveness of our algorithm in practice.
Description and Discussion on DCASE 2024 Challenge Task 2: First-Shot Unsupervised Anomalous Sound Detection for Machine Condition Monitoring
Authors: Tomoya Nishida, Noboru Harada, Daisuke Niizumi, Davide Albertini, Roberto Sannino, Simone Pradolini, Filippo Augusti, Keisuke Imoto, Kota Dohi, Harsh Purohit, Takashi Endo, Yohei Kawaguchi
Date: 2024-06-11 00:00:00
Tasks: Attribute, Domain Generalization, Task 2

We present the task description of the Detection and Classification of Acoustic Scenes and Events (DCASE) 2024 Challenge Task 2: First-shot unsupervised anomalous sound detection (ASD) for machine condition monitoring. Continuing from last year's DCASE 2023 Challenge Task 2, we organize the task as a first-shot problem under domain generalization required settings. The main goal of the first-shot problem is to enable rapid deployment of ASD systems for new kinds of machines without the need for machine-specific hyperparameter tunings. This problem setting was realized by (1) giving only one section for each machine type and (2) having completely different machine types for the development and evaluation datasets. For the DCASE 2024 Challenge Task 2, data of completely new machine types were newly collected and provided as the evaluation dataset. In addition, attribute information such as the machine operation conditions were concealed for several machine types to mimic situations where such information are unavailable. We will add challenge results and analysis of the submissions after the challenge submission deadline.
Dynamical Mean-Field Theory of Self-Attention Neural Networks
Authors: Ángel Poc-López, Miguel Aguilera
Date: 2024-06-11 00:00:00

Transformer-based models have demonstrated exceptional performance across diverse domains, becoming the state-of-the-art solution for addressing sequential machine learning problems. Even though we have a general understanding of the fundamental components in the transformer architecture, little is known about how they operate or what are their expected dynamics. Recently, there has been an increasing interest in exploring the relationship between attention mechanisms and Hopfield networks, promising to shed light on the statistical physics of transformer networks. However, to date, the dynamical regimes of transformer-like models have not been studied in depth. In this paper, we address this gap by using methods for the study of asymmetric Hopfield networks in nonequilibrium regimes --namely path integral methods over generating functionals, yielding dynamics governed by concurrent mean-field variables. Assuming 1-bit tokens and weights, we derive analytical approximations for the behavior of large self-attention neural networks coupled to a softmax output, which become exact in the large limit size. Our findings reveal nontrivial dynamical phenomena, including nonequilibrium phase transitions associated with chaotic bifurcations, even for very simple configurations with a few encoded features and a very short context window. Finally, we discuss the potential of our analytic approach to improve our understanding of the inner workings of transformer models, potentially reducing computational training costs and enhancing model interpretability.