pwc-archive/papers-with-abstracts huggingface dataset:
Continuously Optimizing Radar Placement with Model Predictive Path Integrals
Authors: Michael Potter, Shuo Tang, Paul Ghanem, Milica Stojanovic, Pau Closas, Murat Akcakaya, Ben Wright, Marius Necsoiu, Deniz Erdogmus, Michael Everett, Tales Imbiriba
Date: 2024-05-29 00:00:00

Continuously optimizing sensor placement is essential for precise target localization in various military and civilian applications. While information theory has shown promise in optimizing sensor placement, many studies oversimplify sensor measurement models or neglect dynamic constraints of mobile sensors. To address these challenges, we employ a range measurement model that incorporates radar parameters and radar-target distance, coupled with Model Predictive Path Integral (MPPI) control to manage complex environmental obstacles and dynamic constraints. We compare the proposed approach against stationary radars or simplified range measurement models based on the root mean squared error (RMSE) of the Cubature Kalman Filter (CKF) estimator for the targets' state. Additionally, we visualize the evolving geometry of radars and targets over time, highlighting areas of highest measurement information gain, demonstrating the strengths of the approach. The proposed strategy outperforms stationary radars and simplified range measurement models in target localization, achieving a 38-74% reduction in mean RMSE and a 33-79% reduction in the upper tail of the 90% Highest Density Interval (HDI) over 500 Monte Carl (MC) trials across all time steps. Code will be made publicly available upon acceptance.
Optimizing Vehicular Networks with Variational Quantum Circuits-based Reinforcement Learning
Authors: Zijiang Yan, Ramsundar Tanikella, Hina Tabassum
Date: 2024-05-29 00:00:00
Tasks: Autonomous Driving, Decision Making, Multi-Objective Reinforcement Learning, reinforcement-learning

In vehicular networks (VNets), ensuring both road safety and dependable network connectivity is of utmost importance. Achieving this necessitates the creation of resilient and efficient decision-making policies that prioritize multiple objectives. In this paper, we develop a Variational Quantum Circuit (VQC)-based multi-objective reinforcement learning (MORL) framework to characterize efficient network selection and autonomous driving policies in a vehicular network (VNet). Numerical results showcase notable enhancements in both convergence rates and rewards when compared to conventional deep-Q networks (DQNs), validating the efficacy of the VQC-MORL solution.
UniIF: Unified Molecule Inverse Folding
Authors: Zhangyang Gao, Jue Wang, Cheng Tan, Lirong Wu, Yufei Huang, Siyuan Li, Zhirui Ye, Stan Z. Li
Date: 2024-05-29 00:00:00
Tasks: All, Drug Discovery, Protein Design

Molecule inverse folding has been a long-standing challenge in chemistry and biology, with the potential to revolutionize drug discovery and material science. Despite specified models have been proposed for different small- or macro-molecules, few have attempted to unify the learning process, resulting in redundant efforts. Complementary to recent advancements in molecular structure prediction, such as RoseTTAFold All-Atom and AlphaFold3, we propose the unified model UniIF for the inverse folding of all molecules. We do such unification in two levels: 1) Data-Level: We propose a unified block graph data form for all molecules, including the local frame building and geometric feature initialization. 2) Model-Level: We introduce a geometric block attention network, comprising a geometric interaction, interactive attention and virtual long-term dependency modules, to capture the 3D interactions of all molecules. Through comprehensive evaluations across various tasks such as protein design, RNA design, and material design, we demonstrate that our proposed method surpasses state-of-the-art methods on all tasks. UniIF offers a versatile and effective solution for general molecule inverse folding.
Are You Sure? Rank Them Again: Repeated Ranking For Better Preference Datasets
Authors: Peter Devine
Date: 2024-05-29 00:00:00
Tasks: Dataset Generation

Training Large Language Models (LLMs) with Reinforcement Learning from AI Feedback (RLAIF) aligns model outputs more closely with human preferences. This involves an evaluator model ranking multiple candidate responses to user prompts. However, the rankings from popular evaluator models such as GPT-4 can be inconsistent. We propose the Repeat Ranking method - where we evaluate the same responses multiple times and train only on those responses which are consistently ranked. Using 2,714 prompts in 62 languages, we generated responses from 7 top multilingual LLMs and had GPT-4 rank them five times each. Evaluating on MT-Bench chat benchmarks in six languages, our method outperformed the standard practice of training on all available prompts. Our work highlights the quality versus quantity trade-off in RLAIF dataset generation and offers a stackable strategy for enhancing dataset and thus model quality.
Verifiably Robust Conformal Prediction
Authors: Linus Jeary, Tom Kuipers, Mehran Hosseini, Nicola Paoletti
Date: 2024-05-29 00:00:00
Tasks: Conformal Prediction, Deep Reinforcement Learning, image-classification, Image Classification, Prediction, regression, Uncertainty Quantification, valid

Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are guaranteed to cover the (unknown) true test output with a user-specified probability. Nevertheless, this guarantee is violated when the data is subjected to adversarial attacks, which often result in a significant loss of coverage. Recently, several approaches have been put forward to recover CP guarantees in this setting. These approaches leverage variations of randomised smoothing to produce conservative sets which account for the effect of the adversarial perturbations. They are, however, limited in that they only support $\ell^2$-bounded perturbations and classification tasks. This paper introduces VRCP (Verifiably Robust Conformal Prediction), a new framework that leverages recent neural network verification methods to recover coverage guarantees under adversarial attacks. Our VRCP method is the first to support perturbations bounded by arbitrary norms including $\ell^1$, $\ell^2$, and $\ell^\infty$, as well as regression tasks. We evaluate and compare our approach on image classification tasks (CIFAR10, CIFAR100, and TinyImageNet) and regression tasks for deep reinforcement learning environments. In every case, VRCP achieves above nominal coverage and yields significantly more efficient and informative prediction regions than the SotA.
EntProp: High Entropy Propagation for Improving Accuracy and Robustness
Authors: Shohei Enomoto
Date: 2024-05-29 00:00:00
Tasks: Data Augmentation

Deep neural networks (DNNs) struggle to generalize to out-of-distribution domains that are different from those in training despite their impressive performance. In practical applications, it is important for DNNs to have both high standard accuracy and robustness against out-of-distribution domains. One technique that achieves both of these improvements is disentangled learning with mixture distribution via auxiliary batch normalization layers (ABNs). This technique treats clean and transformed samples as different domains, allowing a DNN to learn better features from mixed domains. However, if we distinguish the domains of the samples based on entropy, we find that some transformed samples are drawn from the same domain as clean samples, and these samples are not completely different domains. To generate samples drawn from a completely different domain than clean samples, we hypothesize that transforming clean high-entropy samples to further increase the entropy generates out-of-distribution samples that are much further away from the in-distribution domain. On the basis of the hypothesis, we propose high entropy propagation~(EntProp), which feeds high-entropy samples to the network that uses ABNs. We introduce two techniques, data augmentation and free adversarial training, that increase entropy and bring the sample further away from the in-distribution domain. These techniques do not require additional training costs. Our experimental results show that EntProp achieves higher standard accuracy and robustness with a lower training cost than the baseline methods. In particular, EntProp is highly effective at training on small datasets.
Deep Positive-Unlabeled Anomaly Detection for Contaminated Unlabeled Data
Authors: Hiroshi Takahashi, Tomoharu Iwata, Atsutoshi Kumagai, Yuuki Yamanaka
Date: 2024-05-29 00:00:00
Tasks: Anomaly Detection, Semi-supervised Anomaly Detection, Supervised Anomaly Detection

Semi-supervised anomaly detection, which aims to improve the performance of the anomaly detector by using a small amount of anomaly data in addition to unlabeled data, has attracted attention. Existing semi-supervised approaches assume that unlabeled data are mostly normal. They train the anomaly detector to minimize the anomaly scores for the unlabeled data, and to maximize those for the anomaly data. However, in practice, the unlabeled data are often contaminated with anomalies. This weakens the effect of maximizing the anomaly scores for anomalies, and prevents us from improving the detection performance. To solve this problem, we propose the positive-unlabeled autoencoder, which is based on positive-unlabeled learning and the anomaly detector such as the autoencoder. With our approach, we can approximate the anomaly scores for normal data using the unlabeled and anomaly data. Therefore, without the labeled normal data, we can train the anomaly detector to minimize the anomaly scores for normal data, and to maximize those for the anomaly data. In addition, our approach is applicable to various anomaly detectors such as the DeepSVDD. Experiments on various datasets show that our approach achieves better detection performance than existing approaches.
Causal Action Influence Aware Counterfactual Data Augmentation
Authors: Núria Armengol Urpí, Marco Bagatella, Marin Vlastelica, Georg Martius
Date: 2024-05-29 00:00:00
Tasks: counterfactual, Counterfactual Reasoning, Data Augmentation

Offline data are both valuable and practical resources for teaching robots complex behaviors. Ideally, learning agents should not be constrained by the scarcity of available demonstrations, but rather generalize beyond the training distribution. However, the complexity of real-world scenarios typically requires huge amounts of data to prevent neural network policies from picking up on spurious correlations and learning non-causal relationships. We propose CAIAC, a data augmentation method that can create feasible synthetic transitions from a fixed dataset without having access to online environment interactions. By utilizing principled methods for quantifying causal influence, we are able to perform counterfactual reasoning by swapping $\it{action}$-unaffected parts of the state-space between independent trajectories in the dataset. We empirically show that this leads to a substantial increase in robustness of offline learning algorithms against distributional shift.
Towards Faithful Chain-of-Thought: Large Language Models are Bridging Reasoners
Authors: Jiachun Li, Pengfei Cao, Yubo Chen, Kang Liu, Jun Zhao
Date: 2024-05-29 00:00:00

Large language models (LLMs) suffer from serious unfaithful chain-of-thought (CoT) issues. Previous work attempts to measure and explain it but lacks in-depth analysis within CoTs and does not consider the interactions among all reasoning components jointly. In this paper, we first study the CoT faithfulness issue at the granularity of CoT steps, identify two reasoning paradigms: centralized reasoning and distributed reasoning, and find their relationship with faithfulness. Subsequently, we conduct a joint analysis of the causal relevance among the context, CoT, and answer during reasoning. The result proves that, when the LLM predicts answers, it can recall correct information missing in the CoT from the context, leading to unfaithfulness issues. Finally, we propose the inferential bridging method to mitigate this issue, in which we use the attribution method to recall information as hints for CoT generation and filter out noisy CoTs based on their semantic consistency and attribution scores. Extensive experiments demonstrate that our approach effectively alleviates the unfaithful CoT problem.
Predicting Parking Availability in Singapore with Cross-Domain Data: A New Dataset and A Data-Driven Approach
Authors: Huaiwu Zhang, Yutong Xia, Siru Zhong, Kun Wang, Zekun Tong, Qingsong Wen, Roger Zimmermann, Yuxuan Liang
Date: 2024-05-29 00:00:00

The increasing number of vehicles highlights the need for efficient parking space management. Predicting real-time Parking Availability (PA) can help mitigate traffic congestion and the corresponding social problems, which is a pressing issue in densely populated cities like Singapore. In this study, we aim to collectively predict future PA across Singapore with complex factors from various domains. The contributions in this paper are listed as follows: (1) A New Dataset: We introduce the \texttt{SINPA} dataset, containing a year's worth of PA data from 1,687 parking lots in Singapore, enriched with various spatial and temporal factors. (2) A Data-Driven Approach: We present DeepPA, a novel deep-learning framework, to collectively and efficiently predict future PA across thousands of parking lots. (3) Extensive Experiments and Deployment: DeepPA demonstrates a 9.2% reduction in prediction error for up to 3-hour forecasts compared to existing advanced models. Furthermore, we implement DeepPA in a practical web-based platform to provide real-time PA predictions to aid drivers and inform urban planning for the governors in Singapore. We release the dataset and source code at https://github.com/yoshall/SINPA.
A Causal Framework for Evaluating Deferring Systems
Authors: Filippo Palomba, Andrea Pugnana, José Manuel Alvarez, Salvatore Ruggieri
Date: 2024-05-29 00:00:00
Tasks: Causal Inference

Deferring systems extend supervised Machine Learning (ML) models with the possibility to defer predictions to human experts. However, evaluating the impact of a deferring strategy on system accuracy is still an overlooked area. This paper fills this gap by evaluating deferring systems through a causal lens. We link the potential outcomes framework for causal inference with deferring systems, which allows to identify the causal impact of the deferring strategy on predictive accuracy. We distinguish two scenarios. In the first one, we have access to both the human and ML model predictions for the deferred instances. Here, we can identify the individual causal effects for deferred instances and the aggregates of them. In the second one, only human predictions are available for the deferred instances. Here, we can resort to regression discontinuity designs to estimate a local causal effect. We evaluate our approach on synthetic and real datasets for seven deferring systems from the literature.
Few-Shot Testing: Estimating Uncertainty of Memristive Deep Neural Networks Using One Bayesian Test Vector
Authors: Soyed Tuhin Ahmed, Mehdi Tahoori
Date: 2024-05-29 00:00:00

The performance of deep learning algorithms such as neural networks (NNs) has increased tremendously recently, and they can achieve state-of-the-art performance in many domains. However, due to memory and computation resource constraints, implementing NNs on edge devices is a challenging task. Therefore, hardware accelerators such as computation-in-memory (CIM) with memristive devices have been developed to accelerate the most common operations, i.e., matrix-vector multiplication. However, due to inherent device properties, external environmental factors such as temperature, and an immature fabrication process, memristors suffer from various non-idealities, including defects and variations occurring during manufacturing and runtime. Consequently, there is a lack of complete confidence in the predictions made by the model. To improve confidence in NN predictions made by hardware accelerators in the presence of device non-idealities, in this paper, we propose a Bayesian test vector generation framework that can estimate the model uncertainty of NNs implemented on memristor-based CIM hardware. Compared to the conventional point estimate test vector generation method, our method is more generalizable across different model dimensions and requires storing only one test Bayesian vector in the hardware. Our method is evaluated on different model dimensions, tasks, fault rates, and variation noise to show that it can consistently achieve $100\%$ coverage with only $0.024$ MB of memory overhead.
On Perception of Prevalence of Cheating and Usage of Generative AI
Authors: Roman Denkin
Date: 2024-05-29 00:00:00

This report investigates the perceptions of teaching staff on the prevalence of student cheating and the impact of Generative AI on academic integrity. Data was collected via an anonymous survey of teachers at the Department of Information Technology at Uppsala University and analyzed alongside institutional statistics on cheating investigations from 2004 to 2023. The results indicate that while teachers generally do not view cheating as highly prevalent, there is a strong belief that its incidence is increasing, potentially due to the accessibility of Generative AI. Most teachers do not equate AI usage with cheating but acknowledge its widespread use among students. Furthermore, teachers' perceptions align with objective data on cheating trends, highlighting their awareness of the evolving landscape of academic dishonesty.
Inference-Time Alignment of Diffusion Models with Direct Noise Optimization
Authors: Zhiwei Tang, Jiangweizhi Peng, Jiasheng Tang, Mingyi Hong, Fan Wang, Tsung-Hui Chang
Date: 2024-05-29 00:00:00

In this work, we focus on the alignment problem of diffusion models with a continuous reward function, which represents specific objectives for downstream tasks, such as increasing darkness or improving the aesthetics of images. The central goal of the alignment problem is to adjust the distribution learned by diffusion models such that the generated samples maximize the target reward function. We propose a novel alignment approach, named Direct Noise Optimization (DNO), that optimizes the injected noise during the sampling process of diffusion models. By design, DNO operates at inference-time, and thus is tuning-free and prompt-agnostic, with the alignment occurring in an online fashion during generation. We rigorously study the theoretical properties of DNO and also propose variants to deal with non-differentiable reward functions. Furthermore, we identify that naive implementation of DNO occasionally suffers from the out-of-distribution reward hacking problem, where optimized samples have high rewards but are no longer in the support of the pretrained distribution. To remedy this issue, we leverage classical high-dimensional statistics theory to an effective probability regularization technique. We conduct extensive experiments on several important reward functions and demonstrate that the proposed DNO approach can achieve state-of-the-art reward scores within a reasonable time budget for generation.
Continuous Product Graph Neural Networks
Authors: Aref Einizade, Fragkiskos D. Malliaros, Jhony H. Giraldo
Date: 2024-05-29 00:00:00

Processing multidomain data defined on multiple graphs holds significant potential in various practical applications in computer science. However, current methods are mostly limited to discrete graph filtering operations. Tensorial partial differential equations on graphs (TPDEGs) provide a principled framework for modeling structured data across multiple interacting graphs, addressing the limitations of the existing discrete methodologies. In this paper, we introduce Continuous Product Graph Neural Networks (CITRUS) that emerge as a natural solution to the TPDEG. CITRUS leverages the separability of continuous heat kernels from Cartesian graph products to efficiently implement graph spectral decomposition. We conduct thorough theoretical analyses of the stability and over-smoothing properties of CITRUS in response to domain-specific graph perturbations and graph spectra effects on the performance. We evaluate CITRUS on well-known traffic and weather spatiotemporal forecasting datasets, demonstrating superior performance over existing approaches. The implementation codes are available at https://github.com/ArefEinizade2/CITRUS.
Counterfactual Metarules for Local and Global Recourse
Authors: Tom Bewley, Salim I. Amoukou, Saumitra Mishra, Daniele Magazzeni, Manuela Veloso
Date: 2024-05-29 00:00:00
Tasks: counterfactual, Counterfactual Explanation

We introduce T-CREx, a novel model-agnostic method for local and global counterfactual explanation (CE), which summarises recourse options for both individuals and groups in the form of human-readable rules. It leverages tree-based surrogate models to learn the counterfactual rules, alongside 'metarules' denoting their regions of optimality, providing both a global analysis of model behaviour and diverse recourse options for users. Experiments indicate that T-CREx achieves superior aggregate performance over existing rule-based baselines on a range of CE desiderata, while being orders of magnitude faster to run.
LLMs achieve adult human performance on higher-order theory of mind tasks
Authors: Winnie Street, John Oliver Siy, Geoff Keeling, Adrien Baranes, Benjamin Barnett, Michael McKibben, Tatenda Kanyere, Alison Lentz, Blaise Aguera y Arcas, Robin I. M. Dunbar
Date: 2024-05-29 00:00:00

This paper examines the extent to which large language models (LLMs) have developed higher-order theory of mind (ToM); the human ability to reason about multiple mental and emotional states in a recursive manner (e.g. I think that you believe that she knows). This paper builds on prior work by introducing a handwritten test suite -- Multi-Order Theory of Mind Q&A -- and using it to compare the performance of five LLMs to a newly gathered adult human benchmark. We find that GPT-4 and Flan-PaLM reach adult-level and near adult-level performance on ToM tasks overall, and that GPT-4 exceeds adult performance on 6th order inferences. Our results suggest that there is an interplay between model size and finetuning for the realisation of ToM abilities, and that the best-performing LLMs have developed a generalised capacity for ToM. Given the role that higher-order ToM plays in a wide range of cooperative and competitive human behaviours, these findings have significant implications for user-facing LLM applications.