new Adversarial Machine Learning Threats to Spacecraft

Authors: Rajiv Thummala, Shristi Sharma, Matteo Calabrese, Gregory Falco

Abstract: Spacecraft are among the earliest autonomous systems. Their ability to function without a human in the loop have afforded some of humanity's grandest achievements. As reliance on autonomy grows, space vehicles will become increasingly vulnerable to attacks designed to disrupt autonomous processes-especially probabilistic ones based on machine learning. This paper aims to elucidate and demonstrate the threats that adversarial machine learning (AML) capabilities pose to spacecraft. First, an AML threat taxonomy for spacecraft is introduced. Next, we demonstrate the execution of AML attacks against spacecraft through experimental simulations using NASA's Core Flight System (cFS) and NASA's On-board Artificial Intelligence Research (OnAIR) Platform. Our findings highlight the imperative for incorporating AML-focused security measures in spacecraft that engage autonomy.

new Automated Deep Learning for Load Forecasting

Authors: Julie Keisler (CRIStAL, EDF R\&D OSIRIS, EDF R\&D), Sandra Claudel, Gilles Cabriel, Margaux Br\'eg\`ere

Abstract: Accurate forecasting of electricity consumption is essential to ensure the performance and stability of the grid, especially as the use of renewable energy increases. Forecasting electricity is challenging because it depends on many external factors, such as weather and calendar variables. While regression-based models are currently effective, the emergence of new explanatory variables and the need to refine the temporality of the signals to be forecasted is encouraging the exploration of novel methodologies, in particular deep learning models. However, Deep Neural Networks (DNNs) struggle with this task due to the lack of data points and the different types of explanatory variables (e.g. integer, float, or categorical). In this paper, we explain why and how we used Automated Deep Learning (AutoDL) to find performing DNNs for load forecasting. We ended up creating an AutoDL framework called EnergyDragon by extending the DRAGON package and applying it to load forecasting. EnergyDragon automatically selects the features embedded in the DNN training in an innovative way and optimizes the architecture and the hyperparameters of the networks. We demonstrate on the French load signal that EnergyDragon can find original DNNs that outperform state-of-the-art load forecasting methods as well as other AutoDL approaches.

new FLEXIBLE: Forecasting Cellular Traffic by Leveraging Explicit Inductive Graph-Based Learning

Authors: Duc Thinh Ngo (STACK), Kandaraj Piamrat (LS2N, STACK), Ons Aouedi, Thomas Hassan, Philippe Raipin-Parv\'edy

Abstract: From a telecommunication standpoint, the surge in users and services challenges next-generation networks with escalating traffic demands and limited resources. Accurate traffic prediction can offer network operators valuable insights into network conditions and suggest optimal allocation policies. Recently, spatio-temporal forecasting, employing Graph Neural Networks (GNNs), has emerged as a promising method for cellular traffic prediction. However, existing studies, inspired by road traffic forecasting formulations, overlook the dynamic deployment and removal of base stations, requiring the GNN-based forecaster to handle an evolving graph. This work introduces a novel inductive learning scheme and a generalizable GNN-based forecasting model that can process diverse graphs of cellular traffic with one-time training. We also demonstrate that this model can be easily leveraged by transfer learning with minimal effort, making it applicable to different areas. Experimental results show up to 9.8% performance improvement compared to the state-of-the-art, especially in rare-data settings with training data reduced to below 20%.

new A Click-Through Rate Prediction Method Based on Cross-Importance of Multi-Order Features

Authors: Hao Wang, Nao Li

Abstract: Most current click-through rate prediction(CTR)models create explicit or implicit high-order feature crosses through Hadamard product or inner product, with little attention to the importance of feature crossing; only few models are either limited to the second-order explicit feature crossing, implicitly to high-order feature crossing, or can learn the importance of high-order explicit feature crossing but fail to provide good interpretability for the model. This paper proposes a new model, FiiNet (Multiple Order Feature Interaction Importance Neural Networks). The model first uses the selective kernel network (SKNet) to explicitly construct multi-order feature crosses. It dynamically learns the importance of feature interaction combinations in a fine grained manner, increasing the attention weight of important feature cross combinations and reducing the weight of featureless crosses. To verify that the FiiNet model can dynamically learn the importance of feature interaction combinations in a fine-grained manner and improve the model's recommendation performance and interpretability, this paper compares it with many click-through rate prediction models on two real datasets, proving that the FiiNet model incorporating the selective kernel network can effectively improve the recommendation effect and provide better interpretability. FiiNet model implementations are available in PyTorch.

new The Pitfalls and Promise of Conformal Inference Under Adversarial Attacks

Authors: Ziquan Liu, Yufei Cui, Yan Yan, Yi Xu, Xiangyang Ji, Xue Liu, Antoni B. Chan

Abstract: In safety-critical applications such as medical imaging and autonomous driving, where decisions have profound implications for patient health and road safety, it is imperative to maintain both high adversarial robustness to protect against potential adversarial attacks and reliable uncertainty quantification in decision-making. With extensive research focused on enhancing adversarial robustness through various forms of adversarial training (AT), a notable knowledge gap remains concerning the uncertainty inherent in adversarially trained models. To address this gap, this study investigates the uncertainty of deep learning models by examining the performance of conformal prediction (CP) in the context of standard adversarial attacks within the adversarial defense community. It is first unveiled that existing CP methods do not produce informative prediction sets under the commonly used $l_{\infty}$-norm bounded attack if the model is not adversarially trained, which underpins the importance of adversarial training for CP. Our paper next demonstrates that the prediction set size (PSS) of CP using adversarially trained models with AT variants is often worse than using standard AT, inspiring us to research into CP-efficient AT for improved PSS. We propose to optimize a Beta-weighting loss with an entropy minimization regularizer during AT to improve CP-efficiency, where the Beta-weighting loss is shown to be an upper bound of PSS at the population level by our theoretical analysis. Moreover, our empirical study on four image classification datasets across three popular AT baselines validates the effectiveness of the proposed Uncertainty-Reducing AT (AT-UR).

new RS-Reg: Probabilistic and Robust Certified Regression Through Randomized Smoothing

Authors: Aref Miri Rekavandi, Olga Ohrimenko, Benjamin I. P. Rubinstein

Abstract: Randomized smoothing has shown promising certified robustness against adversaries in classification tasks. Despite such success with only zeroth-order access to base models, randomized smoothing has not been extended to a general form of regression. By defining robustness in regression tasks flexibly through probabilities, we demonstrate how to establish upper bounds on input data point perturbation (using the $\ell_2$ norm) for a user-specified probability of observing valid outputs. Furthermore, we showcase the asymptotic property of a basic averaging function in scenarios where the regression model operates without any constraint. We then derive a certified upper bound of the input perturbations when dealing with a family of regression models where the outputs are bounded. Our simulations verify the validity of the theoretical results and reveal the advantages and limitations of simple smoothing functions, i.e., averaging, in regression tasks. The code is publicly available at \url{https://github.com/arekavandi/Certified_Robust_Regression}.

URLs: https://github.com/arekavandi/Certified_Robust_Regression

new Feature Importance and Explainability in Quantum Machine Learning

Authors: Luke Power, Krishnendu Guha

Abstract: Many Machine Learning (ML) models are referred to as black box models, providing no real insights into why a prediction is made. Feature importance and explainability are important for increasing transparency and trust in ML models, particularly in settings such as healthcare and finance. With quantum computing's unique capabilities, such as leveraging quantum mechanical phenomena like superposition, which can be combined with ML techniques to create the field of Quantum Machine Learning (QML), and such techniques may be applied to QML models. This article explores feature importance and explainability insights in QML compared to Classical ML models. Utilizing the widely recognized Iris dataset, classical ML algorithms such as SVM and Random Forests, are compared against hybrid quantum counterparts, implemented via IBM's Qiskit platform: the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC). This article aims to provide a comparison of the insights generated in ML by employing permutation and leave one out feature importance methods, alongside ALE (Accumulated Local Effects) and SHAP (SHapley Additive exPlanations) explainers.

new Neural Collapse Meets Differential Privacy: Curious Behaviors of NoisyGD with Near-perfect Representation Learning

Authors: Chendi Wang, Yuqing Zhu, Weijie J. Su, Yu-Xiang Wang

Abstract: A recent study by De et al. (2022) has reported that large-scale representation learning through pre-training on a public dataset significantly enhances differentially private (DP) learning in downstream tasks, despite the high dimensionality of the feature space. To theoretically explain this phenomenon, we consider the setting of a layer-peeled model in representation learning, which results in interesting phenomena related to learned features in deep learning and transfer learning, known as Neural Collapse (NC). Within the framework of NC, we establish an error bound indicating that the misclassification error is independent of dimension when the distance between actual features and the ideal ones is smaller than a threshold. Additionally, the quality of the features in the last layer is empirically evaluated under different pre-trained models within the framework of NC, showing that a more powerful transformer leads to a better feature representation. Furthermore, we reveal that DP fine-tuning is less robust compared to fine-tuning without DP, particularly in the presence of perturbations. These observations are supported by both theoretical analyses and experimental evaluation. Moreover, to enhance the robustness of DP fine-tuning, we suggest several strategies, such as feature normalization or employing dimension reduction methods like Principal Component Analysis (PCA). Empirically, we demonstrate a significant improvement in testing accuracy by conducting PCA on the last-layer features.

new Neural Active Learning Meets the Partial Monitoring Framework

Authors: Maxime Heuillet, Ola Ahmad, Audrey Durand

Abstract: We focus on the online-based active learning (OAL) setting where an agent operates over a stream of observations and trades-off between the costly acquisition of information (labelled observations) and the cost of prediction errors. We propose a novel foundation for OAL tasks based on partial monitoring, a theoretical framework specialized in online learning from partially informative actions. We show that previously studied binary and multi-class OAL tasks are instances of partial monitoring. We expand the real-world potential of OAL by introducing a new class of cost-sensitive OAL tasks. We propose NeuralCBP, the first PM strategy that accounts for predictive uncertainty with deep neural networks. Our extensive empirical evaluation on open source datasets shows that NeuralCBP has favorable performance against state-of-the-art baselines on multiple binary, multi-class and cost-sensitive OAL tasks.

new Challenges in Deploying Long-Context Transformers: A Theoretical Peak Performance Analysis

Authors: Yao Fu

Abstract: Transformer-based long context generative models power emerging AI applications like hour-long video understanding and project-level coding agent. Deploying long context transformers (e.g., 100K to 10M tokens) is prohibitively expensive compared to short context (e.g., 4K tokens) model variants. Reducing the cost of long-context transformers is becoming a pressing research and engineering challenge starting from the year of 2024. This work describes a concurrent programming framework for quantitatively analyzing the efficiency challenges in serving multiple long-context requests under limited size of GPU high-bandwidth memory (HBM) regime. We give a detailed analysis of how all additional computational costs, compared to 4K context, trace back to \textit{one single source: the large size of the KV cache}. We use a 34B GPT-3.5 level model of 50K context on A100 NVLink as a running example, and describe how its large KV cache causes four types of deployment challenges: (1) prefilling long inputs takes much longer compute time and GPU memory than short inputs; (2) after prefilling, the large KV cache residing on the GPU HBM substantially restricts the number of concurrent users being served; (3) during decoding, repeatedly reading the KV cache from HBM to SM largely increases latency; (4) when KV cache memory overflows, swapping it from HBM to DDR causes significant context switching latency. We use this framework to analyze existing works and identify possibilities of combining them to build end-to-end systems. Overall, this work offers a foundational framework for analyzing long context transformer deployment and identifies directions towards reducing the inference cost of 1M context to be as cheap as 4K.

new Perturbation-based Learning for Recurrent Neural Networks

Authors: Jesus Garcia Fernandez, Sander Keemink, Marcel van Gerven

Abstract: Recurrent neural networks (RNNs) hold immense potential for computations due to their Turing completeness and sequential processing capabilities, yet existing methods for their training encounter efficiency challenges. Backpropagation through time (BPTT), the prevailing method, extends the backpropagation (BP) algorithm by unrolling the RNN over time. However, this approach suffers from significant drawbacks, including the need to interleave forward and backward phases and store exact gradient information. Furthermore, BPTT has been shown to struggle with propagating gradient information for long sequences, leading to vanishing gradients. An alternative strategy to using gradient-based methods like BPTT involves stochastically approximating gradients through perturbation-based methods. This learning approach is exceptionally simple, necessitating only forward passes in the network and a global reinforcement signal as feedback. Despite its simplicity, the random nature of its updates typically leads to inefficient optimization, limiting its effectiveness in training neural networks. In this study, we present a new approach to perturbation-based learning in RNNs whose performance is competitive with BPTT, while maintaining the inherent advantages over gradient-based learning. To this end, we extend the recently introduced activity-based node perturbation (ANP) method to operate in the time domain, leading to more efficient learning and generalization. Subsequently, we conduct a range of experiments to validate our approach. Our results show similar performance, convergence time and scalability when compared to BPTT, strongly outperforming standard node perturbation and weight perturbation methods. These findings suggest that perturbation-based learning methods offer a versatile alternative to gradient-based methods for training RNNs.

new Wearable Sensor-Based Few-Shot Continual Learning on Hand Gestures for Motor-Impaired Individuals via Latent Embedding Exploitation

Authors: Riyad Bin Rafiq, Weishi Shi, Mark V. Albert

Abstract: Hand gestures can provide a natural means of human-computer interaction and enable people who cannot speak to communicate efficiently. Existing hand gesture recognition methods heavily depend on pre-defined gestures, however, motor-impaired individuals require new gestures tailored to each individual's gesture motion and style. Gesture samples collected from different persons have distribution shifts due to their health conditions, the severity of the disability, motion patterns of the arms, etc. In this paper, we introduce the Latent Embedding Exploitation (LEE) mechanism in our replay-based Few-Shot Continual Learning (FSCL) framework that significantly improves the performance of fine-tuning a model for out-of-distribution data. Our method produces a diversified latent feature space by leveraging a preserved latent embedding known as \textit{gesture prior knowledge}, along with \textit{intra-gesture divergence} derived from two additional embeddings. Thus, the model can capture latent statistical structure in highly variable gestures with limited samples. We conduct an experimental evaluation using the SmartWatch Gesture and the Motion Gesture datasets. The proposed method results in an average test accuracy of 57.0\%, 64.6\%, and 69.3\% by using one, three, and five samples for six different gestures. Our method helps motor-impaired persons leverage wearable devices, and their unique styles of movement can be learned and applied in human-computer interaction and social communication.

new Computation-Aware Kalman Filtering and Smoothing

Authors: Marvin Pf\"ortner, Jonathan Wenger, Jon Cockayne, Philipp Hennig

Abstract: Kalman filtering and smoothing are the foundational mechanisms for efficient inference in Gauss-Markov models. However, their time and memory complexities scale prohibitively with the size of the state space. This is particularly problematic in spatiotemporal regression problems, where the state dimension scales with the number of spatial observations. Existing approximate frameworks leverage low-rank approximations of the covariance matrix. Since they do not model the error introduced by the computational approximation, their predictive uncertainty estimates can be overly optimistic. In this work, we propose a probabilistic numerical method for inference in high-dimensional Gauss-Markov models which mitigates these scaling issues. Our matrix-free iterative algorithm leverages GPU acceleration and crucially enables a tunable trade-off between computational cost and predictive uncertainty. Finally, we demonstrate the scalability of our method on a large-scale climate dataset.

new An adaptive approach to Bayesian Optimization with switching costs

Authors: Stefan Pricopie, Richard Allmendinger, Manuel Lopez-Ibanez, Clyde Fare, Matt Benatan, Joshua Knowles

Abstract: We investigate modifications to Bayesian Optimization for a resource-constrained setting of sequential experimental design where changes to certain design variables of the search space incur a switching cost. This models the scenario where there is a trade-off between evaluating more while maintaining the same setup, or switching and restricting the number of possible evaluations due to the incurred cost. We adapt two process-constrained batch algorithms to this sequential problem formulation, and propose two new methods: one cost-aware and one cost-ignorant. We validate and compare the algorithms using a set of 7 scalable test functions in different dimensionalities and switching-cost settings for 30 total configurations. Our proposed cost-aware hyperparameter-free algorithm yields comparable results to tuned process-constrained algorithms in all settings we considered, suggesting some degree of robustness to varying landscape features and cost trade-offs. This method starts to outperform the other algorithms with increasing switching-cost. Our work broadens out from other recent Bayesian Optimization studies in resource-constrained settings that consider a batch setting only. While the contributions of this work are relevant to the general class of resource-constrained problems, they are particularly relevant to problems where adaptability to varying resource availability is of high importance

new drGAT: Attention-Guided Gene Assessment of Drug Response Utilizing a Drug-Cell-Gene Heterogeneous Network

Authors: Yoshitaka Inoue, Hunmin Lee, Tianfan Fu, Augustin Luna

Abstract: Drug development is a lengthy process with a high failure rate. Increasingly, machine learning is utilized to facilitate the drug development processes. These models aim to enhance our understanding of drug characteristics, including their activity in biological contexts. However, a major challenge in drug response (DR) prediction is model interpretability as it aids in the validation of findings. This is important in biomedicine, where models need to be understandable in comparison with established knowledge of drug interactions with proteins. drGAT, a graph deep learning model, leverages a heterogeneous graph composed of relationships between proteins, cell lines, and drugs. drGAT is designed with two objectives: DR prediction as a binary sensitivity prediction and elucidation of drug mechanism from attention coefficients. drGAT has demonstrated superior performance over existing models, achieving 78\% accuracy (and precision), and 76\% F1 score for 269 DNA-damaging compounds of the NCI60 drug response dataset. To assess the model's interpretability, we conducted a review of drug-gene co-occurrences in Pubmed abstracts in comparison to the top 5 genes with the highest attention coefficients for each drug. We also examined whether known relationships were retained in the model by inspecting the neighborhoods of topoisomerase-related drugs. For example, our model retained TOP1 as a highly weighted predictive feature for irinotecan and topotecan, in addition to other genes that could potentially be regulators of the drugs. Our method can be used to accurately predict sensitivity to drugs and may be useful in the identification of biomarkers relating to the treatment of cancer patients.

new Feature-based Federated Transfer Learning: Communication Efficiency, Robustness and Privacy

Authors: Feng Wang, M. Cenk Gursoy, Senem Velipasalar

Abstract: In this paper, we propose feature-based federated transfer learning as a novel approach to improve communication efficiency by reducing the uplink payload by multiple orders of magnitude compared to that of existing approaches in federated learning and federated transfer learning. Specifically, in the proposed feature-based federated learning, we design the extracted features and outputs to be uploaded instead of parameter updates. For this distributed learning model, we determine the required payload and provide comparisons with the existing schemes. Subsequently, we analyze the robustness of feature-based federated transfer learning against packet loss, data insufficiency, and quantization. Finally, we address privacy considerations by defining and analyzing label privacy leakage and feature privacy leakage, and investigating mitigating approaches. For all aforementioned analyses, we evaluate the performance of the proposed learning scheme via experiments on an image classification task and a natural language processing task to demonstrate its effectiveness.

new Deep Learning in Earthquake Engineering: A Comprehensive Review

Authors: Yazhou Xie

Abstract: This article surveys the growing interest in utilizing Deep Learning (DL) as a powerful tool to address challenging problems in earthquake engineering. Despite decades of advancement in domain knowledge, issues such as uncertainty in earthquake occurrence, unpredictable seismic loads, nonlinear structural responses, and community engagement remain difficult to tackle using domain-specific methods. DL offers promising solutions by leveraging its data-driven capacity for nonlinear mapping, sequential data modeling, automatic feature extraction, dimensionality reduction, optimal decision-making, etc. However, the literature lacks a comprehensive review that systematically covers a consistent scope intersecting DL and earthquake engineering. To bridge the gap, the article first discusses methodological advances to elucidate various applicable DL techniques, such as multi-layer perceptron (MLP), convolutional neural network (CNN), recurrent neural network (RNN), generative adversarial network (GAN), autoencoder (AE), transfer learning (TL), reinforcement learning (RL), and graph neural network (GNN). A thorough research landscape is then disclosed by exploring various DL applications across different research topics, including vision-based seismic damage assessment and structural characterization, seismic demand and damage state prediction, seismic response history prediction, regional seismic risk assessment and community resilience, ground motion (GM) for engineering use, seismic response control, and the inverse problem of system/damage identification. Suitable DL techniques for each research topic are identified, emphasizing the preeminence of CNN for vision-based tasks, RNN for sequential data, RL for community resilience, and unsupervised learning for GM analysis. The article also discusses opportunities and challenges for leveraging DL in earthquake engineering research and practice.

new Unmasking Efficiency: Learning Salient Sparse Models in Non-IID Federated Learning

Authors: Riyasat Ohib, Bishal Thapaliya, Gintare Karolina Dziugaite, Jingyu Liu, Vince Calhoun, Sergey Plis

Abstract: In this work, we propose Salient Sparse Federated Learning (SSFL), a streamlined approach for sparse federated learning with efficient communication. SSFL identifies a sparse subnetwork prior to training, leveraging parameter saliency scores computed separately on local client data in non-IID scenarios, and then aggregated, to determine a global mask. Only the sparse model weights are communicated each round between the clients and the server. We validate SSFL's effectiveness using standard non-IID benchmarks, noting marked improvements in the sparsity--accuracy trade-offs. Finally, we deploy our method in a real-world federated learning framework and report improvement in communication time.

new SMART: Towards Pre-trained Missing-Aware Model for Patient Health Status Prediction

Authors: Zhihao Yu, Xu Chu, Yujie Jin, Yasha Wang, Junfeng Zhao

Abstract: Electronic health record (EHR) data has emerged as a valuable resource for analyzing patient health status. However, the prevalence of missing data in EHR poses significant challenges to existing methods, leading to spurious correlations and suboptimal predictions. While various imputation techniques have been developed to address this issue, they often obsess unnecessary details and may introduce additional noise when making clinical predictions. To tackle this problem, we propose SMART, a Self-Supervised Missing-Aware RepresenTation Learning approach for patient health status prediction, which encodes missing information via elaborated attentions and learns to impute missing values through a novel self-supervised pre-training approach that reconstructs missing data representations in the latent space. By adopting missing-aware attentions and focusing on learning higher-order representations, SMART promotes better generalization and robustness to missing data. We validate the effectiveness of SMART through extensive experiments on six EHR tasks, demonstrating its superiority over state-of-the-art methods.

new Perception Without Vision for Trajectory Prediction: Ego Vehicle Dynamics as Scene Representation for Efficient Active Learning in Autonomous Driving

Authors: Ross Greer, Mohan Trivedi

Abstract: This study investigates the use of trajectory and dynamic state information for efficient data curation in autonomous driving machine learning tasks. We propose methods for clustering trajectory-states and sampling strategies in an active learning framework, aiming to reduce annotation and data costs while maintaining model performance. Our approach leverages trajectory information to guide data selection, promoting diversity in the training data. We demonstrate the effectiveness of our methods on the trajectory prediction task using the nuScenes dataset, showing consistent performance gains over random sampling across different data pool sizes, and even reaching sub-baseline displacement errors at just 50% of the data cost. Our results suggest that sampling typical data initially helps overcome the ''cold start problem,'' while introducing novelty becomes more beneficial as the training pool size increases. By integrating trajectory-state-informed active learning, we demonstrate that more efficient and robust autonomous driving systems are possible and practical using low-cost data curation strategies.

new Response Matching for generating materials and molecules

Authors: Bingqing Cheng

Abstract: Machine learning has recently emerged as a powerful tool for generating new molecular and material structures. The success of state-of-the-art models stems from their ability to incorporate physical symmetries, such as translation, rotation, and periodicity. Here, we present a novel generative method called Response Matching (RM), which leverages the fact that each stable material or molecule exists at the minimum of its potential energy surface. Consequently, any perturbation induces a response in energy and stress, driving the structure back to equilibrium. Matching to such response is closely related to score matching in diffusion models. By employing the combination of a machine learning interatomic potential and random structure search as the denoising model, RM exploits the locality of atomic interactions, and inherently respects permutation, translation, rotation, and periodic invariances. RM is the first model to handle both molecules and bulk materials under the same framework. We demonstrate the efficiency and generalization of RM across three systems: a small organic molecular dataset, stable crystals from the Materials Project, and one-shot learning on a single diamond configuration.

new Improving Transformers using Faithful Positional Encoding

Authors: Tsuyoshi Id\'e, Jokin Labaien, Pin-Yu Chen

Abstract: We propose a new positional encoding method for a neural network architecture called the Transformer. Unlike the standard sinusoidal positional encoding, our approach is based on solid mathematical grounds and has a guarantee of not losing information about the positional order of the input sequence. We show that the new encoding approach systematically improves the prediction performance in the time-series classification task.

new Enhancing Airline Customer Satisfaction: A Machine Learning and Causal Analysis Approach

Authors: Tejas Mirthipati (Georgia Institute Of Technology)

Abstract: This study explores the enhancement of customer satisfaction in the airline industry, a critical factor for retaining customers and building brand reputation, which are vital for revenue growth. Utilizing a combination of machine learning and causal inference methods, we examine the specific impact of service improvements on customer satisfaction, with a focus on the online boarding pass experience. Through detailed data analysis involving several predictive and causal models, we demonstrate that improvements in the digital aspects of customer service significantly elevate overall customer satisfaction. This paper highlights how airlines can strategically leverage these insights to make data-driven decisions that enhance customer experiences and, consequently, their market competitiveness.

new Chaos-based reinforcement learning with TD3

Authors: Toshitaka Matsuki, Yusuke Sakemi, Kazuyuki Aihara

Abstract: Chaos-based reinforcement learning (CBRL) is a method in which the agent's internal chaotic dynamics drives exploration. This approach offers a model for considering how the biological brain can create variability in its behavior and learn in an exploratory manner. At the same time, it is a learning model that has the ability to automatically switch between exploration and exploitation modes and the potential to realize higher explorations that reflect what it has learned so far. However, the learning algorithms in CBRL have not been well-established in previous studies and have yet to incorporate recent advances in reinforcement learning. This study introduced Twin Delayed Deep Deterministic Policy Gradients (TD3), which is one of the state-of-the-art deep reinforcement learning algorithms that can treat deterministic and continuous action spaces, to CBRL. The validation results provide several insights. First, TD3 works as a learning algorithm for CBRL in a simple goal-reaching task. Second, CBRL agents with TD3 can autonomously suppress their exploratory behavior as learning progresses and resume exploration when the environment changes. Finally, examining the effect of the agent's chaoticity on learning shows that extremely strong chaos negatively impacts the flexible switching between exploration and exploitation.

new Optimizing Sensor Network Design for Multiple Coverage

Authors: Lukas Taus, Yen-Hsi Richard Tsai

Abstract: Sensor placement optimization methods have been studied extensively. They can be applied to a wide range of applications, including surveillance of known environments, optimal locations for 5G towers, and placement of missile defense systems. However, few works explore the robustness and efficiency of the resulting sensor network concerning sensor failure or adversarial attacks. This paper addresses this issue by optimizing for the least number of sensors to achieve multiple coverage of non-simply connected domains by a prescribed number of sensors. We introduce a new objective function for the greedy (next-best-view) algorithm to design efficient and robust sensor networks and derive theoretical bounds on the network's optimality. We further introduce a Deep Learning model to accelerate the algorithm for near real-time computations. The Deep Learning model requires the generation of training examples. Correspondingly, we show that understanding the geometric properties of the training data set provides important insights into the performance and training process of deep learning techniques. Finally, we demonstrate that a simple parallel version of the greedy approach using a simpler objective can be highly competitive.

new Efficient LLM Jailbreak via Adaptive Dense-to-sparse Constrained Optimization

Authors: Kai Hu, Weichen Yu, Tianjun Yao, Xiang Li, Wenhe Liu, Lijun Yu, Yining Li, Kai Chen, Zhiqiang Shen, Matt Fredrikson

Abstract: Recent research indicates that large language models (LLMs) are susceptible to jailbreaking attacks that can generate harmful content. This paper introduces a novel token-level attack method, Adaptive Dense-to-Sparse Constrained Optimization (ADC), which effectively jailbreaks several open-source LLMs. Our approach relaxes the discrete jailbreak optimization into a continuous optimization and progressively increases the sparsity of the optimizing vectors. Consequently, our method effectively bridges the gap between discrete and continuous space optimization. Experimental results demonstrate that our method is more effective and efficient than existing token-level methods. On Harmbench, our method achieves state of the art attack success rate on seven out of eight LLMs. Code will be made available. Trigger Warning: This paper contains model behavior that can be offensive in nature.

new Overcoming Domain Drift in Online Continual Learning

Authors: Fan Lyu, Daofeng Liu, Linglan Zhao, Zhang Zhang, Fanhua Shang, Fuyuan Hu, Wei Feng, Liang Wang

Abstract: Online Continual Learning (OCL) empowers machine learning models to acquire new knowledge online across a sequence of tasks. However, OCL faces a significant challenge: catastrophic forgetting, wherein the model learned in previous tasks is substantially overwritten upon encountering new tasks, leading to a biased forgetting of prior knowledge. Moreover, the continual doman drift in sequential learning tasks may entail the gradual displacement of the decision boundaries in the learned feature space, rendering the learned knowledge susceptible to forgetting. To address the above problem, in this paper, we propose a novel rehearsal strategy, termed Drift-Reducing Rehearsal (DRR), to anchor the domain of old tasks and reduce the negative transfer effects. First, we propose to select memory for more representative samples guided by constructed centroids in a data stream. Then, to keep the model from domain chaos in drifting, a two-level angular cross-task Contrastive Margin Loss (CML) is proposed, to encourage the intra-class and intra-task compactness, and increase the inter-class and inter-task discrepancy. Finally, to further suppress the continual domain drift, we present an optional Centorid Distillation Loss (CDL) on the rehearsal memory to anchor the knowledge in feature space for each previous old task. Extensive experimental results on four benchmark datasets validate that the proposed DRR can effectively mitigate the continual domain drift and achieve the state-of-the-art (SOTA) performance in OCL.

new Cross-Input Certified Training for Universal Perturbations

Authors: Changming Xu, Gagandeep Singh

Abstract: Existing work in trustworthy machine learning primarily focuses on single-input adversarial perturbations. In many real-world attack scenarios, input-agnostic adversarial attacks, e.g. universal adversarial perturbations (UAPs), are much more feasible. Current certified training methods train models robust to single-input perturbations but achieve suboptimal clean and UAP accuracy, thereby limiting their applicability in practical applications. We propose a novel method, CITRUS, for certified training of networks robust against UAP attackers. We show in an extensive evaluation across different datasets, architectures, and perturbation magnitudes that our method outperforms traditional certified training methods on standard accuracy (up to 10.3\%) and achieves SOTA performance on the more practical certified UAP accuracy metric.

new Lens functions for exploring UMAP Projections with Domain Knowledge

Authors: Daniel M. Bot, Jan Aerts

Abstract: Dimensionality reduction algorithms are often used to visualise high-dimensional data. Previously, studies have used prior information to enhance or suppress expected patterns in projections. In this paper, we adapt such techniques for domain knowledge guided interactive exploration. Inspired by Mapper and STAD, we present three types of lens functions for UMAP, a state-of-the-art dimensionality reduction algorithm. Lens functions enable analysts to adapt projections to their questions, revealing otherwise hidden patterns. They filter the modelled connectivity to explore the interaction between manually selected features and the data's structure, creating configurable perspectives each potentially revealing new insights. The effectiveness of the lens functions is demonstrated in two use cases and their computational cost is analysed in a synthetic benchmark. Our implementation is available in an open-source Python package: https://github.com/vda-lab/lensed_umap.

URLs: https://github.com/vda-lab/lensed_umap.

new ALPINE: Unveiling the Planning Capability of Autoregressive Learning in Language Models

Authors: Siwei Wang, Yifei Shen, Shi Feng, Haoran Sun, Shang-Hua Teng, Wei Chen

Abstract: In this paper, we present the findings of our Project ALPINE which stands for ``Autoregressive Learning for Planning In NEtworks." Project ALPINE initiates a theoretical investigation into the development of planning capabilities in Transformer-based language models through their autoregressive learning mechanisms, aiming to identify any potential limitations in their planning abilities. We abstract planning as a network path-finding task where the objective is to generate a valid path from a specified source node to a designated target node. In terms of expressiveness, we show that the Transformer is capable of executing path-finding by embedding the adjacency and reachability matrices within its weights. Our theoretical analysis of the gradient-based learning dynamic of the Transformer reveals that the Transformer is capable of learning both the adjacency matrix and a limited form of the reachability matrix. These theoretical insights are then validated through experiments, which demonstrate that the Transformer indeed learns the adjacency matrix and an incomplete reachability matrix, which aligns with the predictions made in our theoretical analysis. Additionally, when applying our methodology to a real-world planning benchmark, called Blocksworld, our observations remain consistent. Our theoretical and empirical analyses further unveil a potential limitation of Transformer in path-finding: it cannot identify reachability relationships through transitivity, and thus would fail when path concatenation is needed to generate a path. In summary, our findings shed new light on how the internal mechanisms of autoregressive learning enable planning in networks. This study may contribute to our understanding of the general planning capabilities in other related domains.

new Does Machine Bring in Extra Bias in Learning? Approximating Fairness in Models Promptly

Authors: Yijun Bian, Yujie Luo

Abstract: Providing various machine learning (ML) applications in the real world, concerns about discrimination hidden in ML models are growing, particularly in high-stakes domains. Existing techniques for assessing the discrimination level of ML models include commonly used group and individual fairness measures. However, these two types of fairness measures are usually hard to be compatible with each other, and even two different group fairness measures might be incompatible as well. To address this issue, we investigate to evaluate the discrimination level of classifiers from a manifold perspective and propose a "harmonic fairness measure via manifolds (HFM)" based on distances between sets. Yet the direct calculation of distances might be too expensive to afford, reducing its practical applicability. Therefore, we devise an approximation algorithm named "Approximation of distance between sets (ApproxDist)" to facilitate accurate estimation of distances, and we further demonstrate its algorithmic effectiveness under certain reasonable assumptions. Empirical results indicate that the proposed fairness measure HFM is valid and that the proposed ApproxDist is effective and efficient.

new Fair Generalized Linear Mixed Models

Authors: Jan Pablo Burgard, Jo\~ao Vitor Pamplona

Abstract: When using machine learning for automated prediction, it is important to account for fairness in the prediction. Fairness in machine learning aims to ensure that biases in the data and model inaccuracies do not lead to discriminatory decisions. E.g., predictions from fair machine learning models should not discriminate against sensitive variables such as sexual orientation and ethnicity. The training data often in obtained from social surveys. In social surveys, oftentimes the data collection process is a strata sampling, e.g. due to cost restrictions. In strata samples, the assumption of independence between the observation is not fulfilled. Hence, if the machine learning models do not account for the strata correlations, the results may be biased. Especially high is the bias in cases where the strata assignment is correlated to the variable of interest. We present in this paper an algorithm that can handle both problems simultaneously, and we demonstrate the impact of stratified sampling on the quality of fair machine learning predictions in a reproducible simulation study.

new Dynamic Activation Pitfalls in LLaMA Models: An Empirical Study

Authors: Chi Ma, Mincong Huang, Chao Wang, Yujie Wang, Lei Yu

Abstract: In this work, we systematically investigate the efficacy of dynamic activation mechanisms within the LLaMA family of language models. Despite the potential of dynamic activation methods to reduce computation and increase speed in models using the ReLU activation function, our empirical findings have uncovered several inherent pitfalls in the current dynamic activation schemes. Through extensive experiments across various dynamic activation strategies, we demonstrate that LLaMA models usually underperform when compared to their ReLU counterparts, particularly in scenarios demanding high sparsity ratio. We attribute these deficiencies to a combination of factors: 1) the inherent complexity of dynamically predicting activation heads and neurons; 2) the inadequate sparsity resulting from activation functions; 3) the insufficient preservation of information resulting from KV cache skipping. Our analysis not only sheds light on the limitations of dynamic activation in the context of large-scale LLaMA models but also proposes roadmaps for enhancing the design of future sparsity schemes.

new Dual-Segment Clustering Strategy for Federated Learning in Heterogeneous Environments

Authors: Pengcheng Sun, Erwu Liu, Wei Ni, Kanglei Yu, Rui Wang, Abbas Jamalipour

Abstract: Federated learning (FL) is a distributed machine learning paradigm with high efficiency and low communication load, only transmitting parameters or gradients of network. However, the non-independent and identically distributed (Non-IID) data characteristic has a negative impact on this paradigm. Furthermore, the heterogeneity of communication quality will significantly affect the accuracy of parameter transmission, causing a degradation in the performance of the FL system or even preventing its convergence. This letter proposes a dual-segment clustering (DSC) strategy, which first clusters the clients according to the heterogeneous communication conditions and then performs a second clustering by the sample size and label distribution, so as to solve the problem of data and communication heterogeneity. Experimental results show that the DSC strategy proposed in this letter can improve the convergence rate of FL, and has superiority on accuracy in a heterogeneous environment compared with the classical algorithm of cluster.

new Positional Knowledge is All You Need: Position-induced Transformer (PiT) for Operator Learning

Authors: Junfeng Chen, Kailiang Wu

Abstract: Operator learning for Partial Differential Equations (PDEs) is rapidly emerging as a promising approach for surrogate modeling of intricate systems. Transformers with the self-attention mechanism$\unicode{x2013}$a powerful tool originally designed for natural language processing$\unicode{x2013}$have recently been adapted for operator learning. However, they confront challenges, including high computational demands and limited interpretability. This raises a critical question: Is there a more efficient attention mechanism for Transformer-based operator learning? This paper proposes the Position-induced Transformer (PiT), built on an innovative position-attention mechanism, which demonstrates significant advantages over the classical self-attention in operator learning. Position-attention draws inspiration from numerical methods for PDEs. Different from self-attention, position-attention is induced by only the spatial interrelations of sampling positions for input functions of the operators, and does not rely on the input function values themselves, thereby greatly boosting efficiency. PiT exhibits superior performance over current state-of-the-art neural operators in a variety of complex operator learning tasks across diverse PDE benchmarks. Additionally, PiT possesses an enhanced discretization convergence feature, compared to the widely-used Fourier neural operator.

new Tight Bounds for Online Convex Optimization with Adversarial Constraints

Authors: Abhishek Sinha, Rahul Vaze

Abstract: A well-studied generalization of the standard online convex optimization (OCO) is constrained online convex optimization (COCO). In COCO, on every round, a convex cost function and a convex constraint function are revealed to the learner after the action for that round is chosen. The objective is to design an online policy that simultaneously achieves a small regret while ensuring small cumulative constraint violation (CCV) against an adaptive adversary. A long-standing open question in COCO is whether an online policy can simultaneously achieve $O(\sqrt{T})$ regret and $O(\sqrt{T})$ CCV without any restrictive assumptions. For the first time, we answer this in the affirmative and show that an online policy can simultaneously achieve $O(\sqrt{T})$ regret and $\tilde{O}(\sqrt{T})$ CCV. We establish this result by effectively combining the adaptive regret bound of the AdaGrad algorithm with Lyapunov optimization - a classic tool from control theory. Surprisingly, the analysis is short and elegant.

new Gradient Boosted Filters For Signal Processing

Authors: Jose A. Lopez, Georg Stemmer, Hector A. Cordourier

Abstract: Gradient boosted decision trees have achieved remarkable success in several domains, particularly those that work with static tabular data. However, the application of gradient boosted models to signal processing is underexplored. In this work, we introduce gradient boosted filters for dynamic data, by employing Hammerstein systems in place of decision trees. We discuss the relationship of our approach to the Volterra series, providing the theoretical underpinning for its application. We demonstrate the effective generalizability of our approach with examples.

new TimeX++: Learning Time-Series Explanations with Information Bottleneck

Authors: Zichuan Liu, Tianchun Wang, Jimeng Shi, Xu Zheng, Zhuomin Chen, Lei Song, Wenqian Dong, Jayantha Obeysekera, Farhad Shirani, Dongsheng Luo

Abstract: Explaining deep learning models operating on time series data is crucial in various applications of interest which require interpretable and transparent insights from time series signals. In this work, we investigate this problem from an information theoretic perspective and show that most existing measures of explainability may suffer from trivial solutions and distributional shift issues. To address these issues, we introduce a simple yet practical objective function for time series explainable learning. The design of the objective function builds upon the principle of information bottleneck (IB), and modifies the IB objective function to avoid trivial solutions and distributional shift issues. We further present TimeX++, a novel explanation framework that leverages a parametric network to produce explanation-embedded instances that are both in-distributed and label-preserving. We evaluate TimeX++ on both synthetic and real-world datasets comparing its performance against leading baselines, and validate its practical efficacy through case studies in a real-world environmental application. Quantitative and qualitative evaluations show that TimeX++ outperforms baselines across all datasets, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at \url{https://github.com/zichuan-liu/TimeXplusplus}.

URLs: https://github.com/zichuan-liu/TimeXplusplus

new Agnostic Active Learning of Single Index Models with Linear Sample Complexity

Authors: Aarshvi Gajjar, Wai Ming Tai, Xingyu Xu, Chinmay Hegde, Christopher Musco, Yi Li

Abstract: We study active learning methods for single index models of the form $F({\mathbf x}) = f(\langle {\mathbf w}, {\mathbf x}\rangle)$, where $f:\mathbb{R} \to \mathbb{R}$ and ${\mathbf x,\mathbf w} \in \mathbb{R}^d$. In addition to their theoretical interest as simple examples of non-linear neural networks, single index models have received significant recent attention due to applications in scientific machine learning like surrogate modeling for partial differential equations (PDEs). Such applications require sample-efficient active learning methods that are robust to adversarial noise. I.e., that work even in the challenging agnostic learning setting. We provide two main results on agnostic active learning of single index models. First, when $f$ is known and Lipschitz, we show that $\tilde{O}(d)$ samples collected via {statistical leverage score sampling} are sufficient to learn a near-optimal single index model. Leverage score sampling is simple to implement, efficient, and already widely used for actively learning linear models. Our result requires no assumptions on the data distribution, is optimal up to log factors, and improves quadratically on a recent ${O}(d^{2})$ bound of \cite{gajjar2023active}. Second, we show that $\tilde{O}(d)$ samples suffice even in the more difficult setting when $f$ is \emph{unknown}. Our results leverage tools from high dimensional probability, including Dudley's inequality and dual Sudakov minoration, as well as a novel, distribution-aware discretization of the class of Lipschitz functions.

new The Unfairness of $\varepsilon$-Fairness

Authors: Tolulope Fadina, Thorsten Schmidt

Abstract: Fairness in decision-making processes is often quantified using probabilistic metrics. However, these metrics may not fully capture the real-world consequences of unfairness. In this article, we adopt a utility-based approach to more accurately measure the real-world impacts of decision-making process. In particular, we show that if the concept of $\varepsilon$-fairness is employed, it can possibly lead to outcomes that are maximally unfair in the real-world context. Additionally, we address the common issue of unavailable data on false negatives by proposing a reduced setting that still captures essential fairness considerations. We illustrate our findings with two real-world examples: college admissions and credit risk assessment. Our analysis reveals that while traditional probability-based evaluations might suggest fairness, a utility-based approach uncovers the necessary actions to truly achieve equality. For instance, in the college admission case, we find that enhancing completion rates is crucial for ensuring fairness. Summarizing, this paper highlights the importance of considering the real-world context when evaluating fairness.

new SA-FedLora: Adaptive Parameter Allocation for Efficient Federated Learning with LoRA Tuning

Authors: Yuning Yang, Xiaohong Liu, Tianrun Gao, Xiaodong Xu, Guangyu Wang

Abstract: Fine-tuning large-scale pre-trained models via transfer learning is an emerging important paradigm for a wide range of downstream tasks, with performance heavily reliant on extensive data. Federated learning (FL), as a distributed framework, provides a secure solution to train models on local datasets while safeguarding raw sensitive data. However, FL networks encounter high communication costs due to the massive parameters of large-scale pre-trained models, necessitating parameter-efficient methods. Notably, parameter efficient fine tuning, such as Low-Rank Adaptation (LoRA), has shown remarkable success in fine-tuning pre-trained models. However, prior research indicates that the fixed parameter budget may be prone to the overfitting or slower convergence. To address this challenge, we propose a Simulated Annealing-based Federated Learning with LoRA tuning (SA-FedLoRA) approach by reducing trainable parameters. Specifically, SA-FedLoRA comprises two stages: initiating and annealing. (1) In the initiating stage, we implement a parameter regularization approach during the early rounds of aggregation, aiming to mitigate client drift and accelerate the convergence for the subsequent tuning. (2) In the annealing stage, we allocate higher parameter budget during the early 'heating' phase and then gradually shrink the budget until the 'cooling' phase. This strategy not only facilitates convergence to the global optimum but also reduces communication costs. Experimental results demonstrate that SA-FedLoRA is an efficient FL, achieving superior performance to FedAvg and significantly reducing communication parameters by up to 93.62%.

new Kuramoto Oscillators and Swarms on Manifolds for Geometry Informed Machine Learning

Authors: Vladimir Jacimovic

Abstract: We propose the idea of using Kuramoto models (including their higher-dimensional generalizations) for machine learning over non-Euclidean data sets. These models are systems of matrix ODE's describing collective motions (swarming dynamics) of abstract particles (generalized oscillators) on spheres, homogeneous spaces and Lie groups. Such models have been extensively studied from the beginning of XXI century both in statistical physics and control theory. They provide a suitable framework for encoding maps between various manifolds and are capable of learning over spherical and hyperbolic geometries. In addition, they can learn coupled actions of transformation groups (such as special orthogonal, unitary and Lorentz groups). Furthermore, we overview families of probability distributions that provide appropriate statistical models for probabilistic modeling and inference in Geometric Deep Learning. We argue in favor of using statistical models which arise in different Kuramoto models in the continuum limit of particles. The most convenient families of probability distributions are those which are invariant with respect to actions of certain symmetry groups.

new Harmonizing Human Insights and AI Precision: Hand in Hand for Advancing Knowledge Graph Task

Authors: Shurong Wang, Yufei Zhang, Xuliang Huang, Hongwei Wang

Abstract: Knowledge graph embedding (KGE) has caught significant interest for its effectiveness in knowledge graph completion (KGC), specifically link prediction (LP), with recent KGE models cracking the LP benchmarks. Despite the rapidly growing literature, insufficient attention has been paid to the cooperation between humans and AI on KG. However, humans' capability to analyze graphs conceptually may further improve the efficacy of KGE models with semantic information. To this effect, we carefully designed a human-AI team (HAIT) system dubbed KG-HAIT, which harnesses the human insights on KG by leveraging fully human-designed ad-hoc dynamic programming (DP) on KG to produce human insightful feature (HIF) vectors that capture the subgraph structural feature and semantic similarities. By integrating HIF vectors into the training of KGE models, notable improvements are observed across various benchmarks and metrics, accompanied by accelerated model convergence. Our results underscore the effectiveness of human-designed DP in the task of LP, emphasizing the pivotal role of collaboration between humans and AI on KG. We open avenues for further exploration and innovation through KG-HAIT, paving the way towards more effective and insightful KG analysis techniques.

new DemOpts: Fairness corrections in COVID-19 case prediction models

Authors: Naman Awasthi, Saad Abrar, Daniel Smolyak, Vanessa Frias-Martinez

Abstract: COVID-19 forecasting models have been used to inform decision making around resource allocation and intervention decisions e.g., hospital beds or stay-at-home orders. State of the art deep learning models often use multimodal data such as mobility or socio-demographic data to enhance COVID-19 case prediction models. Nevertheless, related work has revealed under-reporting bias in COVID-19 cases as well as sampling bias in mobility data for certain minority racial and ethnic groups, which could in turn affect the fairness of the COVID-19 predictions along race labels. In this paper, we show that state of the art deep learning models output mean prediction errors that are significantly different across racial and ethnic groups; and which could, in turn, support unfair policy decisions. We also propose a novel de-biasing method, DemOpts, to increase the fairness of deep learning based forecasting models trained on potentially biased datasets. Our results show that DemOpts can achieve better error parity that other state of the art de-biasing approaches, thus effectively reducing the differences in the mean error distributions across more racial and ethnic groups.

new MGSER-SAM: Memory-Guided Soft Experience Replay with Sharpness-Aware Optimization for Enhanced Continual Learning

Authors: Xingyu Li, Bo Tang

Abstract: Deep neural networks suffer from the catastrophic forgetting problem in the field of continual learning (CL). To address this challenge, we propose MGSER-SAM, a novel memory replay-based algorithm specifically engineered to enhance the generalization capabilities of CL models. We first intergrate the SAM optimizer, a component designed for optimizing flatness, which seamlessly fits into well-known Experience Replay frameworks such as ER and DER++. Then, MGSER-SAM distinctively addresses the complex challenge of reconciling conflicts in weight perturbation directions between ongoing tasks and previously stored memories, which is underexplored in the SAM optimizer. This is effectively accomplished by the strategic integration of soft logits and the alignment of memory gradient directions, where the regularization terms facilitate the concurrent minimization of various training loss terms integral to the CL process. Through rigorous experimental analysis conducted across multiple benchmarks, MGSER-SAM has demonstrated a consistent ability to outperform existing baselines in all three CL scenarios. Comparing to the representative memory replay-based baselines ER and DER++, MGSER-SAM not only improves the testing accuracy by $24.4\%$ and $17.6\%$ respectively, but also achieves the lowest forgetting on each benchmark.

cross Some Notes on the Sample Complexity of Approximate Channel Simulation

Authors: Gergely Flamich, Lennie Wells

Abstract: Channel simulation algorithms can efficiently encode random samples from a prescribed target distribution $Q$ and find applications in machine learning-based lossy data compression. However, algorithms that encode exact samples usually have random runtime, limiting their applicability when a consistent encoding time is desirable. Thus, this paper considers approximate schemes with a fixed runtime instead. First, we strengthen a result of Agustsson and Theis and show that there is a class of pairs of target distribution $Q$ and coding distribution $P$, for which the runtime of any approximate scheme scales at least super-polynomially in $D_\infty[Q \Vert P]$. We then show, by contrast, that if we have access to an unnormalised Radon-Nikodym derivative $r \propto dQ/dP$ and knowledge of $D_{KL}[Q \Vert P]$, we can exploit global-bound, depth-limited A* coding to ensure $\mathrm{TV}[Q \Vert P] \leq \epsilon$ and maintain optimal coding performance with a sample complexity of only $\exp_2\big((D_{KL}[Q \Vert P] + o(1)) \big/ \epsilon\big)$.

cross Thermodynamic limit in learning period three

Authors: Yuichiro Terasaki, Kohei Nakajima

Abstract: A continuous one-dimensional map with period three includes all periods. This raises the following question: Can we obtain any types of periodic orbits solely by learning three data points? We consider learning period three with random neural networks and report the universal property associated with it. We first show that the trained networks have a thermodynamic limit that depends on the choice of target data and network settings. Our analysis reveals that almost all learned periods are unstable and each network has its characteristic attractors (which can even be untrained ones). Here, we propose the concept of characteristic bifurcation expressing embeddable attractors intrinsic to the network, in which the target data points and the scale of the network weights function as bifurcation parameters. In conclusion, learning period three generates various attractors through characteristic bifurcation due to the stability change in latently existing numerous unstable periods of the system.

cross PromptMind Team at EHRSQL-2024: Improving Reliability of SQL Generation using Ensemble LLMs

Authors: Satya K Gundabathula, Sriram R Kolar

Abstract: This paper presents our approach to the EHRSQL-2024 shared task, which aims to develop a reliable Text-to-SQL system for electronic health records. We propose two approaches that leverage large language models (LLMs) for prompting and fine-tuning to generate EHRSQL queries. In both techniques, we concentrate on bridging the gap between the real-world knowledge on which LLMs are trained and the domain specific knowledge required for the task. The paper provides the results of each approach individually, demonstrating that they achieve high execution accuracy. Additionally, we show that an ensemble approach further enhances generation reliability by reducing errors. This approach secured us 2nd place in the shared task competition. The methodologies outlined in this paper are designed to be transferable to domain-specific Text-to-SQL problems that emphasize both accuracy and reliability.

cross Large Language Models for Human-Machine Collaborative Particle Accelerator Tuning through Natural Language

Authors: Jan Kaiser, Annika Eichler, Anne Lauscher

Abstract: Autonomous tuning of particle accelerators is an active and challenging field of research with the goal of enabling novel accelerator technologies cutting-edge high-impact applications, such as physics discovery, cancer research and material sciences. A key challenge with autonomous accelerator tuning remains that the most capable algorithms require an expert in optimisation, machine learning or a similar field to implement the algorithm for every new tuning task. In this work, we propose the use of large language models (LLMs) to tune particle accelerators. We demonstrate on a proof-of-principle example the ability of LLMs to successfully and autonomously tune a particle accelerator subsystem based on nothing more than a natural language prompt from the operator, and compare the performance of our LLM-based solution to state-of-the-art optimisation algorithms, such as Bayesian optimisation (BO) and reinforcement learning-trained optimisation (RLO). In doing so, we also show how LLMs can perform numerical optimisation of a highly non-linear real-world objective function. Ultimately, this work represents yet another complex task that LLMs are capable of solving and promises to help accelerate the deployment of autonomous tuning algorithms to the day-to-day operations of particle accelerators.

cross CLIP with Quality Captions: A Strong Pretraining for Vision Tasks

Authors: Pavan Kumar Anasosalu Vasu, Hadi Pouransari, Fartash Faghri, Oncel Tuzel

Abstract: CLIP models perform remarkably well on zero-shot classification and retrieval tasks. But recent studies have shown that learnt representations in CLIP are not well suited for dense prediction tasks like object detection, semantic segmentation or depth estimation. More recently, multi-stage training methods for CLIP models was introduced to mitigate the weak performance of CLIP on downstream tasks. In this work, we find that simply improving the quality of captions in image-text datasets improves the quality of CLIP's visual representations, resulting in significant improvement on downstream dense prediction vision tasks. In fact, we find that CLIP pretraining with good quality captions can surpass recent supervised, self-supervised and weakly supervised pretraining methods. We show that when CLIP model with ViT-B/16 as image encoder is trained on well aligned image-text pairs it obtains 12.1% higher mIoU and 11.5% lower RMSE on semantic segmentation and depth estimation tasks over recent state-of-the-art Masked Image Modeling (MIM) pretraining methods like Masked Autoencoder (MAE). We find that mobile architectures also benefit significantly from CLIP pretraining. A recent mobile vision architecture, MCi2, with CLIP pretraining obtains similar performance as Swin-L, pretrained on ImageNet-22k for semantic segmentation task while being 6.1$\times$ smaller. Moreover, we show that improving caption quality results in $10\times$ data efficiency when finetuning for dense prediction tasks.

cross Learned radio interferometric imaging for varying visibility coverage

Authors: Matthijs Mars, Marta M. Betcke, Jason D. McEwen

Abstract: With the next generation of interferometric telescopes, such as the Square Kilometre Array (SKA), the need for highly computationally efficient reconstruction techniques is particularly acute. The challenge in designing learned, data-driven reconstruction techniques for radio interferometry is that they need to be agnostic to the varying visibility coverages of the telescope, since these are different for each observation. Because of this, learned post-processing or learned unrolled iterative reconstruction methods must typically be retrained for each specific observation, amounting to a large computational overhead. In this work we develop learned post-processing and unrolled iterative methods for varying visibility coverages, proposing training strategies to make these methods agnostic to variations in visibility coverage with minimal to no fine-tuning. Learned post-processing techniques are heavily dependent on the prior information encoded in training data and generalise poorly to other visibility coverages. In contrast, unrolled iterative methods, which include the telescope measurement operator inside the network, achieve state-of-the-art reconstruction quality and computation time, generalising well to other coverages and require little to no fine-tuning. Furthermore, they generalise well to realistic radio observations and are able to reconstruct the high dynamic range of these images.

cross Bird's-Eye View to Street-View: A Survey

Authors: Khawlah Bajbaa, Muhammad Usman, Saeed Anwar, Ibrahim Radwan, Abdul Bais

Abstract: In recent years, street view imagery has grown to become one of the most important sources of geospatial data collection and urban analytics, which facilitates generating meaningful insights and assisting in decision-making. Synthesizing a street-view image from its corresponding satellite image is a challenging task due to the significant differences in appearance and viewpoint between the two domains. In this study, we screened 20 recent research papers to provide a thorough review of the state-of-the-art of how street-view images are synthesized from their corresponding satellite counterparts. The main findings are: (i) novel deep learning techniques are required for synthesizing more realistic and accurate street-view images; (ii) more datasets need to be collected for public usage; and (iii) more specific evaluation metrics need to be investigated for evaluating the generated images appropriately. We conclude that, due to applying outdated deep learning techniques, the recent literature failed to generate detailed and diverse street-view images.

cross A distribution-free valid p-value for finite samples of bounded random variables

Authors: Joaquin Alvarez

Abstract: We build a valid p-value based on a concentration inequality for bounded random variables introduced by Pelekis, Ramon and Wang. The motivation behind this work is the calibration of predictive algorithms in a distribution-free setting. The super-uniform p-value is tighter than Hoeffding and Bentkus alternatives in certain regions. Even though we are motivated by a calibration setting in a machine learning context, the ideas presented in this work are also relevant in classical statistical inference. Furthermore, we compare the power of a collection of valid p- values for bounded losses, which are presented in previous literature.

cross Impact of Design Decisions in Scanpath Modeling

Authors: Parvin Emami, Yue Jiang, Zixin Guo, Luis A. Leiva

Abstract: Modeling visual saliency in graphical user interfaces (GUIs) allows to understand how people perceive GUI designs and what elements attract their attention. One aspect that is often overlooked is the fact that computational models depend on a series of design parameters that are not straightforward to decide. We systematically analyze how different design parameters affect scanpath evaluation metrics using a state-of-the-art computational model (DeepGaze++). We particularly focus on three design parameters: input image size, inhibition-of-return decay, and masking radius. We show that even small variations of these design parameters have a noticeable impact on standard evaluation metrics such as DTW or Eyenalysis. These effects also occur in other scanpath models, such as UMSS and ScanGAN, and in other datasets such as MASSVIS. Taken together, our results put forward the impact of design decisions for predicting users' viewing behavior on GUIs.

cross What is it for a Machine Learning Model to Have a Capability?

Authors: Jacqueline Harding, Nathaniel Sharadin

Abstract: What can contemporary machine learning (ML) models do? Given the proliferation of ML models in society, answering this question matters to a variety of stakeholders, both public and private. The evaluation of models' capabilities is rapidly emerging as a key subfield of modern ML, buoyed by regulatory attention and government grants. Despite this, the notion of an ML model possessing a capability has not been interrogated: what are we saying when we say that a model is able to do something? And what sorts of evidence bear upon this question? In this paper, we aim to answer these questions, using the capabilities of large language models (LLMs) as a running example. Drawing on the large philosophical literature on abilities, we develop an account of ML models' capabilities which can be usefully applied to the nascent science of model evaluation. Our core proposal is a conditional analysis of model abilities (CAMA): crudely, a machine learning model has a capability to X just when it would reliably succeed at doing X if it 'tried'. The main contribution of the paper is making this proposal precise in the context of ML, resulting in an operationalisation of CAMA applicable to LLMs. We then put CAMA to work, showing that it can help make sense of various features of ML model evaluation practice, as well as suggest procedures for performing fair inter-model comparisons.

cross Robust Approximate Sampling via Stochastic Gradient Barker Dynamics

Authors: Lorenzo Mauri, Giacomo Zanella

Abstract: Stochastic Gradient (SG) Markov Chain Monte Carlo algorithms (MCMC) are popular algorithms for Bayesian sampling in the presence of large datasets. However, they come with little theoretical guarantees and assessing their empirical performances is non-trivial. In such context, it is crucial to develop algorithms that are robust to the choice of hyperparameters and to gradients heterogeneity since, in practice, both the choice of step-size and behaviour of target gradients induce hard-to-control biases in the invariant distribution. In this work we introduce the stochastic gradient Barker dynamics (SGBD) algorithm, extending the recently developed Barker MCMC scheme, a robust alternative to Langevin-based sampling algorithms, to the stochastic gradient framework. We characterize the impact of stochastic gradients on the Barker transition mechanism and develop a bias-corrected version that, under suitable assumptions, eliminates the error due to the gradient noise in the proposal. We illustrate the performance on a number of high-dimensional examples, showing that SGBD is more robust to hyperparameter tuning and to irregular behavior of the target gradients compared to the popular stochastic gradient Langevin dynamics algorithm.

cross Improving Sequential Market Clearing via Value-oriented Renewable Energy Forecasting

Authors: Yufan Zhang, Honglin Wen, Yuexin Bian, Yuanyuan Shi

Abstract: Large penetration of renewable energy sources (RESs) brings huge uncertainty into the electricity markets. While existing deterministic market clearing fails to accommodate the uncertainty, the recently proposed stochastic market clearing struggles to achieve desirable market properties. In this work, we propose a value-oriented forecasting approach, which tactically determines the RESs generation that enters the day-ahead market. With such a forecast, the existing deterministic market clearing framework can be maintained, and the day-ahead and real-time overall operation cost is reduced. At the training phase, the forecast model parameters are estimated to minimize expected day-ahead and real-time overall operation costs, instead of minimizing forecast errors in a statistical sense. Theoretically, we derive the exact form of the loss function for training the forecast model that aligns with such a goal. For market clearing modeled by linear programs, this loss function is a piecewise linear function. Additionally, we derive the analytical gradient of the loss function with respect to the forecast, which inspires an efficient training strategy. A numerical study shows our forecasts can bring significant benefits of the overall cost reduction to deterministic market clearing, compared to quality-oriented forecasting approach.

cross Cons-training tensor networks

Authors: Javier Lopez-Piqueres, Jing Chen

Abstract: In this study, we introduce a novel family of tensor networks, termed constrained matrix product states (MPS), designed to incorporate exactly arbitrary linear constraints into sparse block structures. These tensor networks effectively bridge the gap between U(1) symmetric MPS and traditional, unconstrained MPS. Central to our approach is the concept of a quantum region, an extension of quantum numbers traditionally used in symmetric tensor networks, adapted to capture any linear constraint, including the unconstrained scenario. We further develop canonical forms for these new MPS, which allow for the merging and factorization of tensor blocks according to quantum region fusion rules. Utilizing this canonical form, we apply an unsupervised training strategy to optimize arbitrary cost functions subject to linear constraints. We use this to solve the quadratic knapsack problem and show a superior performance against a leading nonlinear integer programming solver, highlighting the potential of our method in tackling complex constrained combinatorial optimization problems

cross Dielectric Tensor Prediction for Inorganic Materials Using Latent Information from Preferred Potential

Authors: Zetian Mao, Wenwen Li, Jethro Tan

Abstract: Dielectrics are materials with widespread applications in flash memory, central processing units, photovoltaics, capacitors, etc. However, the availability of public dielectric data remains limited, hindering research and development efforts. Previously, machine learning models focused on predicting dielectric constants as scalars, overlooking the importance of dielectric tensors in understanding material properties under directional electric fields for material design and simulation. This study demonstrates the value of common equivariant structural embedding features derived from a universal neural network potential in enhancing the prediction of dielectric properties. To integrate channel information from various-rank latent features while preserving the desired SE(3) equivariance to the second-rank dielectric tensors, we design an equivariant readout decoder to predict the total, electronic, and ionic dielectric tensors individually, and compare our model with the state-of-the-art models. Finally, we evaluate our model by conducting virtual screening on thermodynamical stable structure candidates in Materials Project. The material Ba\textsubscript{2}SmTaO\textsubscript{6} with large band gaps ($E_g=3.36 \mathrm{eV}$) and dielectric constants ($\epsilon=93.81$) is successfully identified out of the 14k candidate set. The results show that our methods give good accuracy on predicting dielectric tensors of inorganic materials, emphasizing their potential in contributing to the discovery of novel dielectrics.

cross Naturalistic Music Decoding from EEG Data via Latent Diffusion Models

Authors: Emilian Postolache, Natalia Polouliakh, Hiroaki Kitano, Akima Connelly, Emanuele Rodol\`a, Taketo Akama

Abstract: In this article, we explore the potential of using latent diffusion models, a family of powerful generative models, for the task of reconstructing naturalistic music from electroencephalogram (EEG) recordings. Unlike simpler music with limited timbres, such as MIDI-generated tunes or monophonic pieces, the focus here is on intricate music featuring a diverse array of instruments, voices, and effects, rich in harmonics and timbre. This study represents an initial foray into achieving general music reconstruction of high-quality using non-invasive EEG data, employing an end-to-end training approach directly on raw data without the need for manual pre-processing and channel selection. We train our models on the public NMED-T dataset and perform quantitative evaluation proposing neural embedding-based metrics. We additionally perform song classification based on the generated tracks. Our work contributes to the ongoing research in neural decoding and brain-computer interfaces, offering insights into the feasibility of using EEG data for complex auditory information reconstruction.

cross Minimisation of Polyak-\L{}ojasewicz Functions Using Random Zeroth-Order Oracles

Authors: Amir Ali Farzin, Iman Shames

Abstract: The application of a zeroth-order scheme for minimising Polyak-\L{}ojasewicz (PL) functions is considered. The framework is based on exploiting a random oracle to estimate the function gradient. The convergence of the algorithm to a global minimum in the unconstrained case and to a neighbourhood of the global minimum in the constrained case along with their corresponding complexity bounds are presented. The theoretical results are demonstrated via numerical examples.

cross Motion Prediction with Gaussian Processes for Safe Human-Robot Interaction in Virtual Environments

Authors: Stanley Mugisha, Vamsi Krishna Guda, Christine Chevallereau, Damien Chablat, Matteo Zoppi

Abstract: Humans use collaborative robots as tools for accomplishing various tasks. The interaction between humans and robots happens in tight shared workspaces. However, these machines must be safe to operate alongside humans to minimize the risk of accidental collisions. Ensuring safety imposes many constraints, such as reduced torque and velocity limits during operation, thus increasing the time to accomplish many tasks. However, for applications such as using collaborative robots as haptic interfaces with intermittent contacts for virtual reality applications, speed limitations result in poor user experiences. This research aims to improve the efficiency of a collaborative robot while improving the safety of the human user. We used Gaussian process models to predict human hand motion and developed strategies for human intention detection based on hand motion and gaze to improve the time for the robot and human security in a virtual environment. We then studied the effect of prediction. Results from comparisons show that the prediction models improved the robot time by 3\% and safety by 17\%. When used alongside gaze, prediction with Gaussian process models resulted in an improvement of the robot time by 2\% and the safety by 13\%.

cross BonnBot-I Plus: A Bio-diversity Aware Precise Weed Management Robotic Platform

Authors: Alireza Ahmadi, Michael Halstead, Claus Smitt, Chris McCool

Abstract: In this article, we focus on the critical tasks of plant protection in arable farms, addressing a modern challenge in agriculture: integrating ecological considerations into the operational strategy of precision weeding robots like \bbot. This article presents the recent advancements in weed management algorithms and the real-world performance of \bbot\ at the University of Bonn's Klein-Altendorf campus. We present a novel Rolling-view observation model for the BonnBot-Is weed monitoring section which leads to an average absolute weeding performance enhancement of $3.4\%$. Furthermore, for the first time, we show how precision weeding robots could consider bio-diversity-aware concerns in challenging weeding scenarios. We carried out comprehensive weeding experiments in sugar-beet fields, covering both weed-only and mixed crop-weed situations, and introduced a new dataset compatible with precision weeding. Our real-field experiments revealed that our weeding approach is capable of handling diverse weed distributions, with a minimal loss of only $11.66\%$ attributable to intervention planning and $14.7\%$ to vision system limitations highlighting required improvements of the vision system.

cross Adapting Abstract Meaning Representation Parsing to the Clinical Narrative -- the SPRING THYME parser

Authors: Jon Z. Cai, Kristin Wright-Bettner, Martha Palmer, Guergana K. Savova, James H. Martin

Abstract: This paper is dedicated to the design and evaluation of the first AMR parser tailored for clinical notes. Our objective was to facilitate the precise transformation of the clinical notes into structured AMR expressions, thereby enhancing the interpretability and usability of clinical text data at scale. Leveraging the colon cancer dataset from the Temporal Histories of Your Medical Events (THYME) corpus, we adapted a state-of-the-art AMR parser utilizing continuous training. Our approach incorporates data augmentation techniques to enhance the accuracy of AMR structure predictions. Notably, through this learning strategy, our parser achieved an impressive F1 score of 88% on the THYME corpus's colon cancer dataset. Moreover, our research delved into the efficacy of data required for domain adaptation within the realm of clinical notes, presenting domain adaptation data requirements for AMR parsing. This exploration not only underscores the parser's robust performance but also highlights its potential in facilitating a deeper understanding of clinical narratives through structured semantic representations.

cross SOMTP: Self-Supervised Learning-Based Optimizer for MPC-Based Safe Trajectory Planning Problems in Robotics

Authors: Yifan Liu, You Wang, Guang Li

Abstract: Model Predictive Control (MPC)-based trajectory planning has been widely used in robotics, and incorporating Control Barrier Function (CBF) constraints into MPC can greatly improve its obstacle avoidance efficiency. Unfortunately, traditional optimizers are resource-consuming and slow to solve such non-convex constrained optimization problems (COPs) while learning-based methods struggle to satisfy the non-convex constraints. In this paper, we propose SOMTP algorithm, a self-supervised learning-based optimizer for CBF-MPC trajectory planning. Specifically, first, SOMTP employs problem transcription to satisfy most of the constraints. Then the differentiable SLPG correction is proposed to move the solution closer to the safe set and is then converted as the guide policy in the following training process. After that, inspired by the Augmented Lagrangian Method (ALM), our training algorithm integrated with guide policy constraints is proposed to enable the optimizer network to converge to a feasible solution. Finally, experiments show that the proposed algorithm has better feasibility than other learning-based methods and can provide solutions much faster than traditional optimizers with similar optimality.

cross Bridging the gap in online hate speech detection: a comparative analysis of BERT and traditional models for homophobic content identification on X/Twitter

Authors: Josh McGiff, Nikola S. Nikolov

Abstract: Our study addresses a significant gap in online hate speech detection research by focusing on homophobia, an area often neglected in sentiment analysis research. Utilising advanced sentiment analysis models, particularly BERT, and traditional machine learning methods, we developed a nuanced approach to identify homophobic content on X/Twitter. This research is pivotal due to the persistent underrepresentation of homophobia in detection models. Our findings reveal that while BERT outperforms traditional methods, the choice of validation technique can impact model performance. This underscores the importance of contextual understanding in detecting nuanced hate speech. By releasing the largest open-source labelled English dataset for homophobia detection known to us, an analysis of various models' performance and our strongest BERT-based model, we aim to enhance online safety and inclusivity. Future work will extend to broader LGBTQIA+ hate speech detection, addressing the challenges of sourcing diverse datasets. Through this endeavour, we contribute to the larger effort against online hate, advocating for a more inclusive digital landscape. Our study not only offers insights into the effective detection of homophobic content by improving on previous research results, but it also lays groundwork for future advancements in hate speech analysis.

cross Perception-Inspired Graph Convolution for Music Understanding Tasks

Authors: Emmanouil Karystinaios, Francesco Foscarin, Gerhard Widmer

Abstract: We propose a new graph convolutional block, called MusGConv, specifically designed for the efficient processing of musical score data and motivated by general perceptual principles. It focuses on two fundamental dimensions of music, pitch and rhythm, and considers both relative and absolute representations of these components. We evaluate our approach on four different musical understanding problems: monophonic voice separation, harmonic analysis, cadence detection, and composer identification which, in abstract terms, translate to different graph learning problems, namely, node classification, link prediction, and graph classification. Our experiments demonstrate that MusGConv improves the performance on three of the aforementioned tasks while being conceptually very simple and efficient. We interpret this as evidence that it is beneficial to include perception-informed processing of fundamental musical concepts when developing graph network applications on musical score data.

cross NeuralCMS: A deep learning approach to study Jupiter's interior

Authors: Maayan Ziv, Eli Galanti, Amir Sheffer, Saburo Howard, Tristan Guillot, Yohai Kaspi

Abstract: NASA's Juno mission provided exquisite measurements of Jupiter's gravity field that together with the Galileo entry probe atmospheric measurements constrains the interior structure of the giant planet. Inferring its interior structure range remains a challenging inverse problem requiring a computationally intensive search of combinations of various planetary properties, such as the cloud-level temperature, composition, and core features, requiring the computation of ~10^9 interior models. We propose an efficient deep neural network (DNN) model to generate high-precision wide-ranged interior models based on the very accurate but computationally demanding concentric MacLaurin spheroid (CMS) method. We trained a sharing-based DNN with a large set of CMS results for a four-layer interior model of Jupiter, including a dilute core, to accurately predict the gravity moments and mass, given a combination of interior features. We evaluated the performance of the trained DNN (NeuralCMS) to inspect its predictive limitations. NeuralCMS shows very good performance in predicting the gravity moments, with errors comparable with the uncertainty due to differential rotation, and a very accurate mass prediction. This allowed us to perform a broad parameter space search by computing only ~10^4 actual CMS interior models, resulting in a large sample of plausible interior structures, and reducing the computation time by a factor of 10^5. Moreover, we used a DNN explainability algorithm to analyze the impact of the parameters setting the interior model on the predicted observables, providing information on their nonlinear relation.

cross Graph Neural Network based Handwritten Trajectories Recognition

Authors: Anuj Sharma, Sukhdeep Singh, S Ratna

Abstract: The graph neural networks has been proved to be an efficient machine learning technique in real life applications. The handwritten recognition is one of the useful area in real life use where both offline and online handwriting recognition are required. The chain code as feature extraction technique has shown significant results in literature and we have been able to use chain codes with graph neural networks. To the best of our knowledge, this work presents first time a novel combination of handwritten trajectories features as chain codes and graph neural networks together. The handwritten trajectories for offline handwritten text has been evaluated using recovery of drawing order, whereas online handwritten trajectories are directly used with chain codes. Our results prove that present combination surpass previous results and minimize error rate in few epochs only.

cross Transfer Learning in Pre-Trained Large Language Models for Malware Detection Based on System Calls

Authors: Pedro Miguel S\'anchez S\'anchez, Alberto Huertas Celdr\'an, G\'er\^ome Bovet, Gregorio Mart\'inez P\'erez

Abstract: In the current cybersecurity landscape, protecting military devices such as communication and battlefield management systems against sophisticated cyber attacks is crucial. Malware exploits vulnerabilities through stealth methods, often evading traditional detection mechanisms such as software signatures. The application of ML/DL in vulnerability detection has been extensively explored in the literature. However, current ML/DL vulnerability detection methods struggle with understanding the context and intent behind complex attacks. Integrating large language models (LLMs) with system call analysis offers a promising approach to enhance malware detection. This work presents a novel framework leveraging LLMs to classify malware based on system call data. The framework uses transfer learning to adapt pre-trained LLMs for malware detection. By retraining LLMs on a dataset of benign and malicious system calls, the models are refined to detect signs of malware activity. Experiments with a dataset of over 1TB of system calls demonstrate that models with larger context sizes, such as BigBird and Longformer, achieve superior accuracy and F1-Score of approximately 0.86. The results highlight the importance of context size in improving detection rates and underscore the trade-offs between computational complexity and performance. This approach shows significant potential for real-time detection in high-stakes environments, offering a robust solution to evolving cyber threats.

cross ReconBoost: Boosting Can Achieve Modality Reconcilement

Authors: Cong Hua, Qianqian Xu, Shilong Bao, Zhiyong Yang, Qingming Huang

Abstract: This paper explores a novel multi-modal alternating learning paradigm pursuing a reconciliation between the exploitation of uni-modal features and the exploration of cross-modal interactions. This is motivated by the fact that current paradigms of multi-modal learning tend to explore multi-modal features simultaneously. The resulting gradient prohibits further exploitation of the features in the weak modality, leading to modality competition, where the dominant modality overpowers the learning process. To address this issue, we study the modality-alternating learning paradigm to achieve reconcilement. Specifically, we propose a new method called ReconBoost to update a fixed modality each time. Herein, the learning objective is dynamically adjusted with a reconcilement regularization against competition with the historical models. By choosing a KL-based reconcilement, we show that the proposed method resembles Friedman's Gradient-Boosting (GB) algorithm, where the updated learner can correct errors made by others and help enhance the overall performance. The major difference with the classic GB is that we only preserve the newest model for each modality to avoid overfitting caused by ensembling strong learners. Furthermore, we propose a memory consolidation scheme and a global rectification scheme to make this strategy more effective. Experiments over six multi-modal benchmarks speak to the efficacy of the method. We release the code at https://github.com/huacong/ReconBoost.

URLs: https://github.com/huacong/ReconBoost.

cross Learning Coarse-Grained Dynamics on Graph

Authors: Yin Yu, John Harlim, Daning Huang, Yan Li

Abstract: We consider a Graph Neural Network (GNN) non-Markovian modeling framework to identify coarse-grained dynamical systems on graphs. Our main idea is to systematically determine the GNN architecture by inspecting how the leading term of the Mori-Zwanzig memory term depends on the coarse-grained interaction coefficients that encode the graph topology. Based on this analysis, we found that the appropriate GNN architecture that will account for $K$-hop dynamical interactions has to employ a Message Passing (MP) mechanism with at least $2K$ steps. We also deduce that the memory length required for an accurate closure model decreases as a function of the interaction strength under the assumption that the interaction strength exhibits a power law that decays as a function of the hop distance. Supporting numerical demonstrations on two examples, a heterogeneous Kuramoto oscillator model and a power system, suggest that the proposed GNN architecture can predict the coarse-grained dynamics under fixed and time-varying graph topologies.

cross On the Saturation Effect of Kernel Ridge Regression

Authors: Yicheng Li, Haobo Zhang, Qian Lin

Abstract: The saturation effect refers to the phenomenon that the kernel ridge regression (KRR) fails to achieve the information theoretical lower bound when the smoothness of the underground truth function exceeds certain level. The saturation effect has been widely observed in practices and a saturation lower bound of KRR has been conjectured for decades. In this paper, we provide a proof of this long-standing conjecture.

cross Distinguishing Tor From Other Encrypted Network Traffic Through Character Analysis

Authors: Pitpimon Choorod, Tobias J. Bauer, Andreas A{\ss}muth

Abstract: For journalists reporting from a totalitarian regime, whistleblowers and resistance fighters, the anonymous use of cloud services on the Internet can be vital for survival. The Tor network provides a free and widely used anonymization service for everyone. However, there are different approaches to distinguishing Tor from non-Tor encrypted network traffic, most recently only due to the (relative) frequencies of hex digits in a single encrypted payload packet. While conventional data traffic is usually encrypted once, but at least three times in the case of Tor due to the structure and principle of the Tor network, we have examined to what extent the number of encryptions contributes to being able to distinguish Tor from non-Tor encrypted data traffic.

cross Towards Evaluating the Robustness of Automatic Speech Recognition Systems via Audio Style Transfer

Authors: Weifei Jin, Yuxin Cao, Junjie Su, Qi Shen, Kai Ye, Derui Wang, Jie Hao, Ziyao Liu

Abstract: In light of the widespread application of Automatic Speech Recognition (ASR) systems, their security concerns have received much more attention than ever before, primarily due to the susceptibility of Deep Neural Networks. Previous studies have illustrated that surreptitiously crafting adversarial perturbations enables the manipulation of speech recognition systems, resulting in the production of malicious commands. These attack methods mostly require adding noise perturbations under $\ell_p$ norm constraints, inevitably leaving behind artifacts of manual modifications. Recent research has alleviated this limitation by manipulating style vectors to synthesize adversarial examples based on Text-to-Speech (TTS) synthesis audio. However, style modifications based on optimization objectives significantly reduce the controllability and editability of audio styles. In this paper, we propose an attack on ASR systems based on user-customized style transfer. We first test the effect of Style Transfer Attack (STA) which combines style transfer and adversarial attack in sequential order. And then, as an improvement, we propose an iterative Style Code Attack (SCA) to maintain audio quality. Experimental results show that our method can meet the need for user-customized styles and achieve a success rate of 82% in attacks, while keeping sound naturalness due to our user study.

cross Constrained Learning for Causal Inference and Semiparametric Statistics

Authors: Tiffany Tianhui Cai, Yuri Fonseca, Kaiwen Hou, Hongseok Namkoong

Abstract: Causal estimation (e.g. of the average treatment effect) requires estimating complex nuisance parameters (e.g. outcome models). To adjust for errors in nuisance parameter estimation, we present a novel correction method that solves for the best plug-in estimator under the constraint that the first-order error of the estimator with respect to the nuisance parameter estimate is zero. Our constrained learning framework provides a unifying perspective to prominent first-order correction approaches including debiasing (a.k.a. augmented inverse probability weighting) and targeting (a.k.a. targeted maximum likelihood estimation). Our semiparametric inference approach, which we call the "C-Learner", can be implemented with modern machine learning methods such as neural networks and tree ensembles, and enjoys standard guarantees like semiparametric efficiency and double robustness. Empirically, we demonstrate our approach on several datasets, including those with text features that require fine-tuning language models. We observe the C-Learner matches or outperforms other asymptotically optimal estimators, with better performance in settings with less estimated overlap.

cross Modeling Bilingual Sentence Processing: Evaluating RNN and Transformer Architectures for Cross-Language Structural Priming

Authors: Bushi Xiao, Chao Gao, Demi Zhang

Abstract: This study evaluates the performance of Recurrent Neural Network (RNN) and Transformer in replicating cross-language structural priming: a key indicator of abstract grammatical representations in human language processing. Focusing on Chinese-English priming, which involves two typologically distinct languages, we examine how these models handle the robust phenomenon of structural priming, where exposure to a particular sentence structure increases the likelihood of selecting a similar structure subsequently. Additionally, we utilize large language models (LLM) to measure the cross-lingual structural priming effect. Our findings indicate that Transformer outperform RNN in generating primed sentence structures, challenging the conventional belief that human sentence processing primarily involves recurrent and immediate processing and suggesting a role for cue-based retrieval mechanisms. Overall, this work contributes to our understanding of how computational models may reflect human cognitive processes in multilingual contexts.

cross Tackling Distribution Shifts in Task-Oriented Communication with Information Bottleneck

Authors: Hongru Li, Jiawei Shao, Hengtao He, Shenghui Song, Jun Zhang, Khaled B. Letaief

Abstract: Task-oriented communication aims to extract and transmit task-relevant information to significantly reduce the communication overhead and transmission latency. However, the unpredictable distribution shifts between training and test data, including domain shift and semantic shift, can dramatically undermine the system performance. In order to tackle these challenges, it is crucial to ensure that the encoded features can generalize to domain-shifted data and detect semanticshifted data, while remaining compact for transmission. In this paper, we propose a novel approach based on the information bottleneck (IB) principle and invariant risk minimization (IRM) framework. The proposed method aims to extract compact and informative features that possess high capability for effective domain-shift generalization and accurate semantic-shift detection without any knowledge of the test data during training. Specifically, we propose an invariant feature encoding approach based on the IB principle and IRM framework for domainshift generalization, which aims to find the causal relationship between the input data and task result by minimizing the complexity and domain dependence of the encoded feature. Furthermore, we enhance the task-oriented communication with the label-dependent feature encoding approach for semanticshift detection which achieves joint gains in IB optimization and detection performance. To avoid the intractable computation of the IB-based objective, we leverage variational approximation to derive a tractable upper bound for optimization. Extensive simulation results on image classification tasks demonstrate that the proposed scheme outperforms state-of-the-art approaches and achieves a better rate-distortion tradeoff.

cross Generalization Bounds for Causal Regression: Insights, Guarantees and Sensitivity Analysis

Authors: Daniel Csillag, Claudio Jos\'e Struchiner, Guilherme Tegoni Goedert

Abstract: Many algorithms have been recently proposed for causal machine learning. Yet, there is little to no theory on their quality, especially considering finite samples. In this work, we propose a theory based on generalization bounds that provides such guarantees. By introducing a novel change-of-measure inequality, we are able to tightly bound the model loss in terms of the deviation of the treatment propensities over the population, which we show can be empirically limited. Our theory is fully rigorous and holds even in the face of hidden confounding and violations of positivity. We demonstrate our bounds on semi-synthetic and real data, showcasing their remarkable tightness and practical utility.

cross ContourCraft: Learning to Resolve Intersections in Neural Multi-Garment Simulations

Authors: Artur Grigorev, Giorgio Becherini, Michael J. Black, Otmar Hilliges, Bernhard Thomaszewski

Abstract: Learning-based approaches to cloth simulation have started to show their potential in recent years. However, handling collisions and intersections in neural simulations remains a largely unsolved problem. In this work, we present \moniker{}, a learning-based solution for handling intersections in neural cloth simulations. Unlike conventional approaches that critically rely on intersection-free inputs, \moniker{} robustly recovers from intersections introduced through missed collisions, self-penetrating bodies, or errors in manually designed multi-layer outfits. The technical core of \moniker{} is a novel intersection contour loss that penalizes interpenetrations and encourages rapid resolution thereof. We integrate our intersection loss with a collision-avoiding repulsion objective into a neural cloth simulation method based on graph neural networks (GNNs). We demonstrate our method's ability across a challenging set of diverse multi-layer outfits under dynamic human motions. Our extensive analysis indicates that \moniker{} significantly improves collision handling for learned simulation and produces visually compelling results.

cross Improved classical shadows from local symmetries in the Schur basis

Authors: Daniel Grier, Sihan Liu, Gaurav Mahajan

Abstract: We study the sample complexity of the classical shadows task: what is the fewest number of copies of an unknown state you need to measure to predict expected values with respect to some class of observables? Large joint measurements are likely required in order to minimize sample complexity, but previous joint measurement protocols only work when the unknown state is pure. We present the first joint measurement protocol for classical shadows whose sample complexity scales with the rank of the unknown state. In particular we prove $\mathcal O(\sqrt{rB}/\epsilon^2)$ samples suffice, where $r$ is the rank of the state, $B$ is a bound on the squared Frobenius norm of the observables, and $\epsilon$ is the target accuracy. In the low-rank regime, this is a nearly quadratic advantage over traditional approaches that use single-copy measurements. We present several intermediate results that may be of independent interest: a solution to a new formulation of classical shadows that captures functions of non-identical input states; a generalization of a ``nice'' Schur basis used for optimal qubit purification and quantum majority vote; and a measurement strategy that allows us to use local symmetries in the Schur basis to avoid intractable Weingarten calculations in the analysis.

cross Artificial Intelligence for the Internal Democracy of Political Parties

Authors: Claudio Novelli, Giuliano Formisano, Prathm Juneja, Giulia Sandri, Luciano Floridi

Abstract: The article argues that AI can enhance the measurement and implementation of democratic processes within political parties, known as Intra-Party Democracy (IPD). It identifies the limitations of traditional methods for measuring IPD, which often rely on formal parameters, self-reported data, and tools like surveys. Such limitations lead to the collection of partial data, rare updates, and significant demands on resources. To address these issues, the article suggests that specific data management and Machine Learning (ML) techniques, such as natural language processing and sentiment analysis, can improve the measurement (ML about) and practice (ML for) of IPD. The article concludes by considering some of the principal risks of ML for IPD, including concerns over data privacy, the potential for manipulation, and the dangers of overreliance on technology.

cross A community palm model

Authors: Nicholas Clinton, Andreas Vollrath, Remi D'annunzio, Desheng Liu, Henry B. Glick, Adri\`a Descals, Alicia Sullivan, Oliver Guinan, Jacob Abramowitz, Fred Stolle, Chris Goodman, Tanya Birch, David Quinn, Olga Danylo, Tijs Lips, Daniel Coelho, Enikoe Bihari, Bryce Cronkite-Ratcliff, Ate Poortinga, Atena Haghighattalab, Evan Notman, Michael DeWitt, Aaron Yonas, Gennadii Donchyts, Devaja Shah, David Saah, Karis Tenneson, Nguyen Hanh Quyen, Megha Verma, Andrew Wilcox

Abstract: Palm oil production has been identified as one of the major drivers of deforestation for tropical countries. To meet supply chain objectives, commodity producers and other stakeholders need timely information of land cover dynamics in their supply shed. However, such data are difficult to obtain from suppliers who may lack digital geographic representations of their supply sheds and production locations. Here we present a "community model," a machine learning model trained on pooled data sourced from many different stakeholders, to develop a specific land cover probability map, in this case a semi-global oil palm map. An advantage of this method is the inclusion of varied inputs, the ability to easily update the model as new training data becomes available and run the model on any year that input imagery is available. Inclusion of diverse data sources into one probability map can help establish a shared understanding across stakeholders on the presence and absence of a land cover or commodity (in this case oil palm). The model predictors are annual composites built from publicly available satellite imagery provided by Sentinel-1, Sentinel-2, and ALOS DSM. We provide map outputs as the probability of palm in a given pixel, to reflect the uncertainty of the underlying state (palm or not palm). The initial version of this model provides global accuracy estimated to be approximately 90% (at 0.5 probability threshold) from spatially partitioned test data. This model, and resulting oil palm probability map products are useful for accurately identifying the geographic footprint of palm cultivation. Used in conjunction with timely deforestation information, this palm model is useful for understanding the risk of continued oil palm plantation expansion in sensitive forest areas.

cross Restoring balance: principled under/oversampling of data for optimal classification

Authors: Emanuele Loffredo, Mauro Pastore, Simona Cocco, R\'emi Monasson

Abstract: Class imbalance in real-world data poses a common bottleneck for machine learning tasks, since achieving good generalization on under-represented examples is often challenging. Mitigation strategies, such as under or oversampling the data depending on their abundances, are routinely proposed and tested empirically, but how they should adapt to the data statistics remains poorly understood. In this work, we determine exact analytical expressions of the generalization curves in the high-dimensional regime for linear classifiers (Support Vector Machines). We also provide a sharp prediction of the effects of under/oversampling strategies depending on class imbalance, first and second moments of the data, and the metrics of performance considered. We show that mixed strategies involving under and oversampling of data lead to performance improvement. Through numerical experiments, we show the relevance of our theoretical predictions on real datasets, on deeper architectures and with sampling strategies based on unsupervised probabilistic models.

cross Wasserstein Gradient Boosting: A General Framework with Applications to Posterior Regression

Authors: Takuo Matsubara

Abstract: Gradient boosting is a sequential ensemble method that fits a new base learner to the gradient of the remaining loss at each step. We propose a novel family of gradient boosting, Wasserstein gradient boosting, which fits a new base learner to an exactly or approximately available Wasserstein gradient of a loss functional on the space of probability distributions. Wasserstein gradient boosting returns a set of particles that approximates a target probability distribution assigned at each input. In probabilistic prediction, a parametric probability distribution is often specified on the space of output variables, and a point estimate of the output-distribution parameter is produced for each input by a model. Our main application of Wasserstein gradient boosting is a novel distributional estimate of the output-distribution parameter, which approximates the posterior distribution over the output-distribution parameter determined pointwise at each data point. We empirically demonstrate the superior performance of the probabilistic prediction by Wasserstein gradient boosting in comparison with various existing methods.

cross Spectral complexity of deep neural networks

Authors: Simmaco Di Lillo, Domenico Marinucci, Michele Salvi, Stefano Vigogna

Abstract: It is well-known that randomly initialized, push-forward, fully-connected neural networks weakly converge to isotropic Gaussian processes, in the limit where the width of all layers goes to infinity. In this paper, we propose to use the angular power spectrum of the limiting field to characterize the complexity of the network architecture. In particular, we define sequences of random variables associated with the angular power spectrum, and provide a full characterization of the network complexity in terms of the asymptotic distribution of these sequences as the depth diverges. On this basis, we classify neural networks as low-disorder, sparse, or high-disorder; we show how this classification highlights a number of distinct features for standard activation functions, and in particular, sparsity properties of ReLU networks. Our theoretical results are also validated by numerical simulations.

cross Hybrid Magnonic Reservoir Computing

Authors: Cliff B. Abbott, Dmytro A. Bozhko

Abstract: Magnonic systems have been a major area of research interest due to their potential benefits in speed and lower power consumption compared to traditional computing. One particular area that they may be of advantage is as Physical Reservoir Computers in machine learning models. In this work, we build on an established design for using an Auto-Oscillation Ring as a reservoir computer by introducing a simple neural network midstream and introduce an additional design using a spin wave guide with a scattering regime for processing data with different types of inputs. We simulate these designs on the new micro magnetic simulation software, Magnum.np, and show that the designs are capable of performing on various real world data sets comparably or better than traditional dense neural networks.

cross Algorithmic Fairness: A Tolerance Perspective

Authors: Renqiang Luo, Tao Tang, Feng Xia, Jiaying Liu, Chengpei Xu, Leo Yu Zhang, Wei Xiang, Chengqi Zhang

Abstract: Recent advancements in machine learning and deep learning have brought algorithmic fairness into sharp focus, illuminating concerns over discriminatory decision making that negatively impacts certain individuals or groups. These concerns have manifested in legal, ethical, and societal challenges, including the erosion of trust in intelligent systems. In response, this survey delves into the existing literature on algorithmic fairness, specifically highlighting its multifaceted social consequences. We introduce a novel taxonomy based on 'tolerance', a term we define as the degree to which variations in fairness outcomes are acceptable, providing a structured approach to understanding the subtleties of fairness within algorithmic decisions. Our systematic review covers diverse industries, revealing critical insights into the balance between algorithmic decision making and social equity. By synthesizing these insights, we outline a series of emerging challenges and propose strategic directions for future research and policy making, with the goal of advancing the field towards more equitable algorithmic systems.

cross Intrinsic Voltage Offsets in Memcapacitive Bio-Membranes Enable High-Performance Physical Reservoir Computing

Authors: Ahmed S. Mohamed, Anurag Dhungel, Md Sakib Hasan, Joseph S. Najem

Abstract: Reservoir computing is a brain-inspired machine learning framework for processing temporal data by mapping inputs into high-dimensional spaces. Physical reservoir computers (PRCs) leverage native fading memory and nonlinearity in physical substrates, including atomic switches, photonics, volatile memristors, and, recently, memcapacitors, to achieve efficient high-dimensional mapping. Traditional PRCs often consist of homogeneous device arrays, which rely on input encoding methods and large stochastic device-to-device variations for increased nonlinearity and high-dimensional mapping. These approaches incur high pre-processing costs and restrict real-time deployment. Here, we introduce a novel heterogeneous memcapacitor-based PRC that exploits internal voltage offsets to enable both monotonic and non-monotonic input-state correlations crucial for efficient high-dimensional transformations. We demonstrate our approach's efficacy by predicting a second-order nonlinear dynamical system with an extremely low prediction error (0.00018). Additionally, we predict a chaotic H\'enon map, achieving a low normalized root mean square error (0.080). Unlike previous PRCs, such errors are achieved without input encoding methods, underscoring the power of distinct input-state correlations. Most importantly, we generalize our approach to other neuromorphic devices that lack inherent voltage offsets using externally applied offsets to realize various input-state correlations. Our approach and unprecedented performance are a major milestone towards high-performance full in-materia PRCs.

replace Optimal Clustering with Bandit Feedback

Authors: Junwen Yang, Zixin Zhong, Vincent Y. F. Tan

Abstract: This paper considers the problem of online clustering with bandit feedback. A set of arms (or items) can be partitioned into various groups that are unknown. Within each group, the observations associated to each of the arms follow the same distribution with the same mean vector. At each time step, the agent queries or pulls an arm and obtains an independent observation from the distribution it is associated to. Subsequent pulls depend on previous ones as well as the previously obtained samples. The agent's task is to uncover the underlying partition of the arms with the least number of arm pulls and with a probability of error not exceeding a prescribed constant $\delta$. The problem proposed finds numerous applications from clustering of variants of viruses to online market segmentation. We present an instance-dependent information-theoretic lower bound on the expected sample complexity for this task, and design a computationally efficient and asymptotically optimal algorithm, namely Bandit Online Clustering (BOC). The algorithm includes a novel stopping rule for adaptive sequential testing that circumvents the need to exactly solve any NP-hard weighted clustering problem as its subroutines. We show through extensive simulations on synthetic and real-world datasets that BOC's performance matches the lower bound asymptotically, and significantly outperforms a non-adaptive baseline algorithm.

replace Learning Individual Interactions from Population Dynamics with Discrete-Event Simulation Model

Authors: Yan Shen, Fan Yang, Mingchen Gao, Wen Dong

Abstract: The abundance of data affords researchers to pursue more powerful computational tools to learn the dynamics of complex system, such as neural networks, engineered systems and social networks. Traditional machine learning approaches capture complex system dynamics either with dynamic Bayesian networks and state space models, which is hard to scale because it is non-trivial to prescribe the dynamics with a sparse graph or a system of differential equations; or a deep neural networks, where the distributed representation of the learned dynamics is hard to interpret. In this paper, we will explore the possibility of learning a discrete-event simulation representation of complex system dynamics assuming multivariate normal distribution of the state variables, based on the observation that many complex system dynamics can be decomposed into a sequence of local interactions, which individually change the system state only minimally but in sequence generate complex and diverse dynamics. Our results show that the algorithm can data-efficiently capture complex network dynamics in several fields with meaningful events.

replace Polar Encoding: A Simple Baseline Approach for Classification with Missing Values

Authors: Oliver Urs Lenz, Daniel Peralta, Chris Cornelis

Abstract: We propose polar encoding, a representation of categorical and numerical $[0,1]$-valued attributes with missing values to be used in a classification context. We argue that this is a good baseline approach, because it can be used with any classification algorithm, preserves missingness information, is very simple to apply and offers good performance. In particular, unlike the existing missing-indicator approach, it does not require imputation, ensures that missing values are equidistant from non-missing values, and lets decision tree algorithms choose how to split missing values, thereby providing a practical realisation of the "missingness incorporated in attributes" (MIA) proposal. Furthermore, we show that categorical and $[0,1]$-valued attributes can be viewed as special cases of a single attribute type, corresponding to the classical concept of barycentric coordinates, and that this offers a natural interpretation of polar encoding as a fuzzified form of one-hot encoding. With an experiment based on twenty real-life datasets with missing values, we show that, in terms of the resulting classification performance, polar encoding performs better than the state-of-the-art strategies "multiple imputation by chained equations" (MICE) and "multiple imputation with denoising autoencoders" (MIDAS) and -- depending on the classifier -- about as well or better than mean/mode imputation with missing-indicators.

replace Some Fundamental Aspects about Lipschitz Continuity of Neural Networks

Authors: Grigory Khromov, Sidak Pal Singh

Abstract: Lipschitz continuity is a crucial functional property of any predictive model, that naturally governs its robustness, generalisation, as well as adversarial vulnerability. Contrary to other works that focus on obtaining tighter bounds and developing different practical strategies to enforce certain Lipschitz properties, we aim to thoroughly examine and characterise the Lipschitz behaviour of Neural Networks. Thus, we carry out an empirical investigation in a range of different settings (namely, architectures, datasets, label noise, and more) by exhausting the limits of the simplest and the most general lower and upper bounds. As a highlight of this investigation, we showcase a remarkable fidelity of the lower Lipschitz bound, identify a striking Double Descent trend in both upper and lower bounds to the Lipschitz and explain the intriguing effects of label noise on function smoothness and generalisation.

replace Tangent Transformers for Composition, Privacy and Removal

Authors: Tian Yu Liu, Aditya Golatkar, Stefano Soatto

Abstract: We introduce Tangent Attention Fine-Tuning (TAFT), a method for fine-tuning linearized transformers obtained by computing a First-order Taylor Expansion around a pre-trained initialization. We show that the Jacobian-Vector Product resulting from linearization can be computed efficiently in a single forward pass, reducing training and inference cost to the same order of magnitude as its original non-linear counterpart, while using the same number of parameters. Furthermore, we show that, when applied to various downstream visual classification tasks, the resulting Tangent Transformer fine-tuned with TAFT can perform comparably with fine-tuning the original non-linear network. Since Tangent Transformers are linear with respect to the new set of weights, and the resulting fine-tuning loss is convex, we show that TAFT enjoys several advantages compared to non-linear fine-tuning when it comes to model composition, parallel training, machine unlearning, and differential privacy. Our code is available at: https://github.com/tianyu139/tangent-model-composition

URLs: https://github.com/tianyu139/tangent-model-composition

replace A multiscale and multicriteria Generative Adversarial Network to synthesize 1-dimensional turbulent fields

Authors: Carlos Granero-Belinchon (ODYSSEY, IMT Atlantique - MEE, Lab-STICC_OSE), Manuel Cabeza Gallucci (IMT Atlantique - MEE, UBA, IMT Atlantique)

Abstract: This article introduces a new Neural Network stochastic model to generate a 1-dimensional stochastic field with turbulent velocity statistics. Both the model architecture and training procedure ground on the Kolmogorov and Obukhov statistical theories of fully developed turbulence, so guaranteeing descriptions of 1) energy distribution, 2) energy cascade and 3) intermittency across scales in agreement with experimental observations. The model is a Generative Adversarial Network with multiple multiscale optimization criteria. First, we use three physics-based criteria: the variance, skewness and flatness of the increments of the generated field that retrieve respectively the turbulent energy distribution, energy cascade and intermittency across scales. Second, the Generative Adversarial Network criterion, based on reproducing statistical distributions, is used on segments of different length of the generated field. Furthermore, to mimic multiscale decompositions frequently used in turbulence's studies, the model architecture is fully convolutional with kernel sizes varying along the multiple layers of the model. To train our model we use turbulent velocity signals from grid turbulence at Modane wind tunnel.

replace Robust Lagrangian and Adversarial Policy Gradient for Robust Constrained Markov Decision Processes

Authors: David M. Bossens

Abstract: The robust constrained Markov decision process (RCMDP) is a recent task-modelling framework for reinforcement learning that incorporates behavioural constraints and that provides robustness to errors in the transition dynamics model through the use of an uncertainty set. Simulating RCMDPs requires computing the worst-case dynamics based on value estimates for each state, an approach which has previously been used in the Robust Constrained Policy Gradient (RCPG). Highlighting potential downsides of RCPG such as not robustifying the full constrained objective and the lack of incremental learning, this paper introduces two algorithms, called RCPG with Robust Lagrangian and Adversarial RCPG. RCPG with Robust Lagrangian modifies RCPG by taking the worst-case dynamics based on the Lagrangian rather than either the value or the constraint. Adversarial RCPG also formulates the worst-case dynamics based on the Lagrangian but learns this directly and incrementally as an adversarial policy through gradient descent rather than indirectly and abruptly through constrained optimisation on a sorted value list. A theoretical analysis first derives the Lagrangian policy gradient for the policy optimisation of both proposed algorithms and then the adversarial policy gradient to learn the adversary for Adversarial RCPG. Empirical experiments injecting perturbations in inventory management and safe navigation tasks demonstrate the competitive performance of both algorithms compared to traditional RCPG variants as well as non-robust and non-constrained ablations. In particular, Adversarial RCPG ranks among the top two performing algorithms on all tests.

replace Easy attention: A simple attention mechanism for temporal predictions with transformers

Authors: Marcial Sanchis-Agudo, Yuning Wang, Roger Arnau, Luca Guastoni, Jasmin Lim, Karthik Duraisamy, Ricardo Vinuesa

Abstract: To improve the robustness of transformer neural networks used for temporal-dynamics prediction of chaotic systems, we propose a novel attention mechanism called easy attention which we demonstrate in time-series reconstruction and prediction. While the standard self attention only makes use of the inner product of queries and keys, it is demonstrated that the keys, queries and softmax are not necessary for obtaining the attention score required to capture long-term dependencies in temporal sequences. Through the singular-value decomposition (SVD) on the softmax attention score, we further observe that self attention compresses the contributions from both queries and keys in the space spanned by the attention score. Therefore, our proposed easy-attention method directly treats the attention scores as learnable parameters. This approach produces excellent results when reconstructing and predicting the temporal dynamics of chaotic systems exhibiting more robustness and less complexity than self attention or the widely-used long short-term memory (LSTM) network. We show the improved performance of the easy-attention method in the Lorenz system, a turbulence shear flow and a model of a nuclear reactor.

replace Kernel Limit of Recurrent Neural Networks Trained on Ergodic Data Sequences

Authors: Samuel Chun-Hei Lam, Justin Sirignano, Konstantinos Spiliopoulos

Abstract: Mathematical methods are developed to characterize the asymptotics of recurrent neural networks (RNN) as the number of hidden units, data samples in the sequence, hidden state updates, and training steps simultaneously grow to infinity. In the case of an RNN with a simplified weight matrix, we prove the convergence of the RNN to the solution of an infinite-dimensional ODE coupled with the fixed point of a random algebraic equation. The analysis requires addressing several challenges which are unique to RNNs. In typical mean-field applications (e.g., feedforward neural networks), discrete updates are of magnitude $\mathcal{O}(\frac{1}{N})$ and the number of updates is $\mathcal{O}(N)$. Therefore, the system can be represented as an Euler approximation of an appropriate ODE/PDE, which it will converge to as $N \rightarrow \infty$. However, the RNN hidden layer updates are $\mathcal{O}(1)$. Therefore, RNNs cannot be represented as a discretization of an ODE/PDE and standard mean-field techniques cannot be applied. Instead, we develop a fixed point analysis for the evolution of the RNN memory states, with convergence estimates in terms of the number of update steps and the number of hidden units. The RNN hidden layer is studied as a function in a Sobolev space, whose evolution is governed by the data sequence (a Markov chain), the parameter updates, and its dependence on the RNN hidden layer at the previous time step. Due to the strong correlation between updates, a Poisson equation must be used to bound the fluctuations of the RNN around its limit equation. These mathematical methods give rise to the neural tangent kernel (NTK) limits for RNNs trained on data sequences as the number of data samples and size of the neural network grow to infinity.

replace MINDE: Mutual Information Neural Diffusion Estimation

Authors: Giulio Franzese, Mustapha Bounoua, Pietro Michiardi

Abstract: In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

replace Implicit meta-learning may lead language models to trust more reliable sources

Authors: Dmitrii Krasheninnikov, Egor Krasheninnikov, Bruno Mlodozeniec, Tegan Maharaj, David Krueger

Abstract: We demonstrate that LLMs may learn indicators of document usefulness and modulate their updates accordingly. We introduce random strings ("tags") as indicators of usefulness in a synthetic fine-tuning dataset. Fine-tuning on this dataset leads to implicit meta-learning (IML): in further fine-tuning, the model updates to make more use of text that is tagged as useful. We perform a thorough empirical investigation of this phenomenon, finding (among other things) that (i) it occurs in both pretrained LLMs and those trained from scratch, as well as on a vision task, and (ii) larger models and smaller batch sizes tend to give more IML. We also use probing to examine how IML changes the way models store knowledge in their parameters. Finally, we reflect on what our results might imply about capabilities, risks, and controllability of future AI systems. Our code can be found at https://github.com/krasheninnikov/internalization.

URLs: https://github.com/krasheninnikov/internalization.

replace Optimal Multi-Distribution Learning

Authors: Zihan Zhang, Wenhao Zhan, Yuxin Chen, Simon S. Du, Jason D. Lee

Abstract: Multi-distribution learning (MDL), which seeks to learn a shared model that minimizes the worst-case risk across $k$ distinct data distributions, has emerged as a unified framework in response to the evolving demand for robustness, fairness, multi-group collaboration, etc. Achieving data-efficient MDL necessitates adaptive sampling, also called on-demand sampling, throughout the learning process. However, there exist substantial gaps between the state-of-the-art upper and lower bounds on the optimal sample complexity. Focusing on a hypothesis class of Vapnik-Chervonenkis (VC) dimension d, we propose a novel algorithm that yields an varepsilon-optimal randomized hypothesis with a sample complexity on the order of (d+k)/varepsilon^2 (modulo some logarithmic factor), matching the best-known lower bound. Our algorithmic ideas and theory are further extended to accommodate Rademacher classes. The proposed algorithms are oracle-efficient, which access the hypothesis class solely through an empirical risk minimization oracle. Additionally, we establish the necessity of randomization, revealing a large sample size barrier when only deterministic hypotheses are permitted. These findings resolve three open problems presented in COLT 2023 (i.e., citet[Problems 1, 3 and 4]{awasthi2023sample}).

replace Federated Full-Parameter Tuning of Billion-Sized Language Models with Communication Cost under 18 Kilobytes

Authors: Zhen Qin, Daoyuan Chen, Bingchen Qian, Bolin Ding, Yaliang Li, Shuiguang Deng

Abstract: Pre-trained large language models (LLMs) need fine-tuning to improve their responsiveness to natural language instructions. Federated learning offers a way to fine-tune LLMs using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance height possible with full-parameter tuning. However, federated full-parameter tuning of LLMs is a non-trivial problem due to the immense communication cost. This work introduces FedKSeed that employs zeroth-order optimization with a finite set of random seeds. It significantly reduces transmission requirements between the server and clients to just a few random seeds and scalar gradients, amounting to only a few thousand bytes, making federated full-parameter tuning of billion-sized LLMs possible on devices. Building on it, we develop a strategy enabling probability-differentiated seed sampling, prioritizing perturbations with greater impact on model accuracy. Experiments across six scenarios with various LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in both communication efficiency and new task generalization.

replace A Unified Industrial Large Knowledge Model Framework in Smart Manufacturing

Authors: Jay Lee, Hanqi Su

Abstract: The recent emergence of large language models (LLMs) shows the potential for artificial general intelligence, revealing new opportunities in industry 4.0 and smart manufacturing. However, a notable gap exists in applying these LLMs in industry, primarily due to their training on general knowledge rather than domain-specific knowledge. Such specialized domain knowledge is vital for effectively addressing the complex needs of industrial applications. To bridge this gap, this paper proposes an Industrial Large Knowledge Model (ILKM) framework emphasizing their potential to revolutionize the industry in smart manufacturing. In addition, ILKMs and LLMs are compared from eight perspectives. Finally, the "6S Principle" is proposed as the guideline for ILKM development, and several potential opportunities are highlighted for ILKM deployment in smart manufacturing.

replace Safe Reinforcement Learning with Free-form Natural Language Constraints and Pre-Trained Language Models

Authors: Xingzhou Lou, Junge Zhang, Ziyan Wang, Kaiqi Huang, Yali Du

Abstract: Safe reinforcement learning (RL) agents accomplish given tasks while adhering to specific constraints. Employing constraints expressed via easily-understandable human language offers considerable potential for real-world applications due to its accessibility and non-reliance on domain expertise. Previous safe RL methods with natural language constraints typically adopt a recurrent neural network, which leads to limited capabilities when dealing with various forms of human language input. Furthermore, these methods often require a ground-truth cost function, necessitating domain expertise for the conversion of language constraints into a well-defined cost function that determines constraint violation. To address these issues, we proposes to use pre-trained language models (LM) to facilitate RL agents' comprehension of natural language constraints and allow them to infer costs for safe policy learning. Through the use of pre-trained LMs and the elimination of the need for a ground-truth cost, our method enhances safe policy learning under a diverse set of human-derived free-form natural language constraints. Experiments on grid-world navigation and robot control show that the proposed method can achieve strong performance while adhering to given constraints. The usage of pre-trained LMs allows our method to comprehend complicated constraints and learn safe policies without the need for ground-truth cost at any stage of training or evaluation. Extensive ablation studies are conducted to demonstrate the efficacy of each part of our method.

replace Near-Optimal Algorithms for Constrained k-Center Clustering with Instance-level Background Knowledge

Authors: Longkun Guo, Chaoqi Jia, Kewen Liao, Zhigang Lu, Minhui Xue

Abstract: Center-based clustering has attracted significant research interest from both theory and practice. In many practical applications, input data often contain background knowledge that can be used to improve clustering results. In this work, we build on widely adopted $k$-center clustering and model its input background knowledge as must-link (ML) and cannot-link (CL) constraint sets. However, most clustering problems including $k$-center are inherently $\mathcal{NP}$-hard, while the more complex constrained variants are known to suffer severer approximation and computation barriers that significantly limit their applicability. By employing a suite of techniques including reverse dominating sets, linear programming (LP) integral polyhedron, and LP duality, we arrive at the first efficient approximation algorithm for constrained $k$-center with the best possible ratio of 2. We also construct competitive baseline algorithms and empirically evaluate our approximation algorithm against them on a variety of real datasets. The results validate our theoretical findings and demonstrate the great advantages of our algorithm in terms of clustering cost, clustering quality, and running time.

replace Integrating Large Language Models in Causal Discovery: A Statistical Causal Approach

Authors: Masayuki Takayama, Tadahisa Okuda, Thong Pham, Tatsuyoshi Ikenoue, Shingo Fukuma, Shohei Shimizu, Akiyoshi Sannai

Abstract: In practical statistical causal discovery (SCD), embedding domain expert knowledge as constraints into the algorithm is widely accepted as significant for creating consistent meaningful causal models, despite the recognized challenges in systematic acquisition of the background knowledge. To overcome these challenges, this paper proposes a novel methodology for causal inference, in which SCD methods and knowledge based causal inference (KBCI) with a large language model (LLM) are synthesized through ``statistical causal prompting (SCP)'' for LLMs and prior knowledge augmentation for SCD. Experiments have revealed that GPT-4 can cause the output of the LLM-KBCI and the SCD result with prior knowledge from LLM-KBCI to approach the ground truth, and that the SCD result can be further improved, if GPT-4 undergoes SCP. Furthermore, by using an unpublished real-world dataset, we have demonstrated that the background knowledge provided by the LLM can improve SCD on this dataset, even if this dataset has never been included in the training data of the LLM. The proposed approach can thus address challenges such as dataset biases and limitations, illustrating the potential of LLMs to improve data-driven causal inference across diverse scientific domains.

replace Standard Gaussian Process Can Be Excellent for High-Dimensional Bayesian Optimization

Authors: Zhitong Xu, Shandian Zhe

Abstract: There has been a long-standing and widespread belief that Bayesian Optimization (BO) with standard Gaussian process (GP), referred to as standard BO, is ineffective in high-dimensional optimization problems. While this belief sounds reasonable, strong empirical evidence is lacking. In this paper, we systematically investigated BO with standard GP regression across a variety of synthetic and real-world benchmark problems for high-dimensional optimization. We found that, surprisingly, when using Mat\'ern kernels and Upper Confidence Bound (UCB), standard BO consistently achieves top-tier performance, often outperforming other BO methods specifically designed for high-dimensional optimization. Contrary to the stereotype, we found that standard GP equipped with Mat\'ern kernels can serve as a capable surrogate for learning high-dimensional functions. Without strong structural assumptions, BO with standard GP not only excels in high-dimensional optimization but also is robust in accommodating various structures within target functions. Furthermore, with standard GP, achieving promising optimization performance is possible via maximum a posterior (MAP) estimation with diffuse priors or merely maximum likelihood estimation, eliminating the need for expensive Markov-Chain Monte Carlo (MCMC) sampling that might be required by more complex surrogate models. In parallel, we also investigated and analyzed alternative popular settings in running standard BO, which, however, often fail in high-dimensional optimization. This might link to the a few failure cases reported in literature. We thus advocate for a re-evaluation and in-depth study of the potential of standard BO in addressing high-dimensional problems.

replace BiLLM: Pushing the Limit of Post-Training Quantization for LLMs

Authors: Wei Huang, Yangdong Liu, Haotong Qin, Ying Li, Shiming Zhang, Xianglong Liu, Michele Magno, Xiaojuan Qi

Abstract: Pretrained large language models (LLMs) exhibit exceptional general language processing capabilities but come with significant demands on memory and computational resources. As a powerful compression technology, binarization can extremely reduce model weights to a mere 1 bit, lowering the expensive computation and memory requirements. However, existing quantization techniques fall short of maintaining LLM performance under ultra-low bit-widths. In response to this challenge, we present BiLLM, a groundbreaking 1-bit post-training quantization scheme tailored for pretrained LLMs. Based on the weight distribution of LLMs, BiLLM first identifies and structurally selects salient weights, and minimizes the compression loss through an effective binary residual approximation strategy. Moreover, considering the bell-shaped distribution of the non-salient weights, we propose an optimal splitting search to group and binarize them accurately. BiLLM achieving for the first time high-accuracy inference (e.g. 8.41 perplexity on LLaMA2-70B) with only 1.08-bit weights across various LLMs families and evaluation metrics, outperforms SOTA quantization methods of LLM by significant margins. Moreover, BiLLM enables the binarization process of the LLM with 7 billion weights within 0.5 hours on a single GPU, demonstrating satisfactory time efficiency. Our code is available at https://github.com/Aaronhuang-778/BiLLM.

URLs: https://github.com/Aaronhuang-778/BiLLM.

replace A Resource Model For Neural Scaling Law

Authors: Jinyeop Song, Ziming Liu, Max Tegmark, Jeff Gore

Abstract: Neural scaling laws characterize how model performance improves as the model size scales up. Inspired by empirical observations, we introduce a resource model of neural scaling. A task is usually composite hence can be decomposed into many subtasks, which compete for resources (measured by the number of neurons allocated to subtasks). On toy problems, we empirically find that: (1) The loss of a subtask is inversely proportional to its allocated neurons. (2) When multiple subtasks are present in a composite task, the resources acquired by each subtask uniformly grow as models get larger, keeping the ratios of acquired resources constants. We hypothesize these findings to be generally true and build a model to predict neural scaling laws for general composite tasks, which successfully replicates the neural scaling law of Chinchilla models reported in arXiv:2203.15556. We believe that the notion of resource used in this paper will be a useful tool for characterizing and diagnosing neural networks.

replace Sourcerer: Sample-based Maximum Entropy Source Distribution Estimation

Authors: Julius Vetter, Guy Moss, Cornelius Schr\"oder, Richard Gao, Jakob H. Macke

Abstract: Scientific modeling applications often require estimating a distribution of parameters consistent with a dataset of observations - an inference task also known as source distribution estimation. This problem can be ill-posed, however, since many different source distributions might produce the same distribution of data-consistent simulations. To make a principled choice among many equally valid sources, we propose an approach which targets the maximum entropy distribution, i.e., prioritizes retaining as much uncertainty as possible. Our method is purely sample-based - leveraging the Sliced-Wasserstein distance to measure the discrepancy between the dataset and simulations - and thus suitable for simulators with intractable likelihoods. We benchmark our method on several tasks, and show that it can recover source distributions with substantially higher entropy than recent source estimation methods, without sacrificing the fidelity of the simulations. Finally, to demonstrate the utility of our approach, we infer source distributions for parameters of the Hodgkin-Huxley model from experimental datasets with thousands of single-neuron measurements. In summary, we propose a principled method for inferring source distributions of scientific simulator parameters while retaining as much uncertainty as possible.

replace Wisdom of Committee: Distilling from Foundation Model to Specialized Application Model

Authors: Zichang Liu, Qingyun Liu, Yuening Li, Liang Liu, Anshumali Shrivastava, Shuchao Bi, Lichan Hong, Ed H. Chi, Zhe Zhao

Abstract: Recent advancements in foundation models have yielded impressive performance across a wide range of tasks. Meanwhile, for specific applications, practitioners have been developing specialized application models. To enjoy the benefits of both kinds of models, one natural path is to transfer the knowledge in foundation models into specialized application models, which are generally more efficient for serving. Techniques from knowledge distillation may be applied here, where the application model learns to mimic the foundation model. However, specialized application models and foundation models have substantial gaps in capacity, employing distinct architectures, using different input features from different modalities, and being optimized on different distributions. These differences in model characteristics lead to significant challenges for distillation methods. In this work, we propose creating a teaching committee comprising both foundation model teachers and complementary teachers. Complementary teachers possess model characteristics akin to the student's, aiming to bridge the gap between the foundation model and specialized application models for a smoother knowledge transfer. Further, to accommodate the dissimilarity among the teachers in the committee, we introduce DiverseDistill, which allows the student to understand the expertise of each teacher and extract task knowledge. Our evaluations demonstrate that adding complementary teachers enhances student performance. Finally, DiverseDistill consistently outperforms baseline distillation methods, regardless of the teacher choices, resulting in significantly improved student performance.

replace RAGFormer: Learning Semantic Attributes and Topological Structure for Fraud Detection

Authors: Haolin Li, Shuyang Jiang, Lifeng Zhang, Siyuan Du, Guangnan Ye, Hongfeng Chai

Abstract: Fraud detection remains a challenging task due to the complex and deceptive nature of fraudulent activities. Current approaches primarily concentrate on learning only one perspective of the graph: either the topological structure of the graph or the attributes of individual nodes. However, we conduct empirical studies to reveal that these two types of features, while nearly orthogonal, are each independently effective. As a result, previous methods can not fully capture the comprehensive characteristics of the fraud graph. To address this dilemma, we present a novel framework called Relation-Aware GNN with transFormer~(RAGFormer) which simultaneously embeds both semantic and topological features into a target node. The simple yet effective network consists of a semantic encoder, a topology encoder, and an attention fusion module. The semantic encoder utilizes Transformer to learn semantic features and node interactions across different relations. We introduce Relation-Aware GNN as the topology encoder to learn topological features and node interactions within each relation. These two complementary features are interleaved through an attention fusion module to support prediction by both orthogonal features. Extensive experiments on two popular public datasets demonstrate that RAGFormer achieves state-of-the-art performance. The significant improvement of RAGFormer in an industrial credit card fraud detection dataset further validates the applicability of our method in real-world business scenarios.

replace Inexact Unlearning Needs More Careful Evaluations to Avoid a False Sense of Privacy

Authors: Jamie Hayes, Ilia Shumailov, Eleni Triantafillou, Amr Khalifa, Nicolas Papernot

Abstract: The high cost of model training makes it increasingly desirable to develop techniques for unlearning. These techniques seek to remove the influence of a training example without having to retrain the model from scratch. Intuitively, once a model has unlearned, an adversary that interacts with the model should no longer be able to tell whether the unlearned example was included in the model's training set or not. In the privacy literature, this is known as membership inference. In this work, we discuss adaptations of Membership Inference Attacks (MIAs) to the setting of unlearning (leading to their ``U-MIA'' counterparts). We propose a categorization of existing U-MIAs into ``population U-MIAs'', where the same attacker is instantiated for all examples, and ``per-example U-MIAs'', where a dedicated attacker is instantiated for each example. We show that the latter category, wherein the attacker tailors its membership prediction to each example under attack, is significantly stronger. Indeed, our results show that the commonly used U-MIAs in the unlearning literature overestimate the privacy protection afforded by existing unlearning techniques on both vision and language models. Our investigation reveals a large variance in the vulnerability of different examples to per-example U-MIAs. In fact, several unlearning algorithms lead to a reduced vulnerability for some, but not all, examples that we wish to unlearn, at the expense of increasing it for other examples. Notably, we find that the privacy protection for the remaining training examples may worsen as a consequence of unlearning. We also discuss the fundamental difficulty of equally protecting all examples using existing unlearning schemes, due to the different rates at which examples are unlearned. We demonstrate that naive attempts at tailoring unlearning stopping criteria to different examples fail to alleviate these issues.

replace A Reinforcement Learning Approach to Dairy Farm Battery Management using Q Learning

Authors: Nawazish Ali, Abdul Wahid, Rachael Shaw, Karl Mason

Abstract: Dairy farming consumes a significant amount of energy, making it an energy-intensive sector within agriculture. Integrating renewable energy generation into dairy farming could help address this challenge. Effective battery management is important for integrating renewable energy generation. Managing battery charging and discharging poses significant challenges because of fluctuations in electrical consumption, the intermittent nature of renewable energy generation, and fluctuations in energy prices. Artificial Intelligence (AI) has the potential to significantly improve the use of renewable energy in dairy farming, however, there is limited research conducted in this particular domain. This research considers Ireland as a case study as it works towards attaining its 2030 energy strategy centered on the utilization of renewable sources. This study proposes a Q-learning-based algorithm for scheduling battery charging and discharging in a dairy farm setting. This research also explores the effect of the proposed algorithm by adding wind generation data and considering additional case studies. The proposed algorithm reduces the cost of imported electricity from the grid by 13.41%, peak demand by 2%, and 24.49% when utilizing wind generation. These results underline how reinforcement learning is highly effective in managing batteries in the dairy farming sector.

replace Adversarial Consistency and the Uniqueness of the Adversarial Bayes Classifier

Authors: Natalie S. Frank

Abstract: Adversarial training is a common technique for learning robust classifiers. Prior work showed that convex surrogate losses are not statistically consistent in the adversarial context -- or in other words, a minimizing sequence of the adversarial surrogate risk will not necessarily minimize the adversarial classification error. We connect the consistency of adversarial surrogate losses to properties of minimizers to the adversarial classification risk, known as \emph{adversarial Bayes classifiers}. Specifically, under reasonable distributional assumptions, a convex loss is statistically consistent for adversarial learning iff the adversarial Bayes classifier satisfies a certain notion of uniqueness.

replace Invariant Risk Minimization Is A Total Variation Model

Authors: Zhao-Rong Lai, Weiwen Wang

Abstract: Invariant risk minimization (IRM) is an arising approach to generalize invariant features to different environments in machine learning. While most related works focus on new IRM settings or new application scenarios, the mathematical essence of IRM remains to be properly explained. We verify that IRM is essentially a total variation based on $L^2$ norm (TV-$\ell_2$) of the learning risk with respect to the classifier variable. Moreover, we propose a novel IRM framework based on the TV-$\ell_1$ model. It not only expands the classes of functions that can be used as the learning risk, but also has robust performance in denoising and invariant feature preservation based on the coarea formula. We also illustrate some requirements for IRM-TV-$\ell_1$ to achieve out-of-distribution generalization. Experimental results show that the proposed framework achieves competitive performance in several benchmark machine learning scenarios.

replace DDE-Find: Learning Delay Differential Equations from Noisy, Limited Data

Authors: Robert Stephany

Abstract: Delay Differential Equations (DDEs) are a class of differential equations that can model diverse scientific phenomena. However, identifying the parameters, especially the time delay, that make a DDE's predictions match experimental results can be challenging. We introduce DDE-Find, a data-driven framework for learning a DDE's parameters, time delay, and initial condition function. DDE-Find uses an adjoint-based approach to efficiently compute the gradient of a loss function with respect to the model parameters. We motivate and rigorously prove an expression for the gradients of the loss using the adjoint. DDE-Find builds upon recent developments in learning DDEs from data and delivers the first complete framework for learning DDEs from data. Through a series of numerical experiments, we demonstrate that DDE-Find can learn DDEs from noisy, limited data.

replace XAI4LLM. Let Machine Learning Models and LLMs Collaborate for Enhanced In-Context Learning in Healthcare

Authors: Fatemeh Nazary, Yashar Deldjoo, Tommaso Di Noia, Eugenio di Sciascio

Abstract: The integration of Large Language Models (LLMs) into healthcare diagnostics offers a promising avenue for clinical decision-making. This study outlines the development of a novel method for zero-shot/few-shot in-context learning (ICL) by integrating medical domain knowledge using a multi-layered structured prompt. We also explore the efficacy of two communication styles between the user and LLMs: the Numerical Conversational (NC) style, which processes data incrementally, and the Natural Language Single-Turn (NL-ST) style, which employs long narrative prompts. Our study systematically evaluates the diagnostic accuracy and risk factors, including gender bias and false negative rates, using a dataset of 920 patient records in various few-shot scenarios. Results indicate that traditional clinical machine learning (ML) models generally outperform LLMs in zero-shot and few-shot settings. However, the performance gap narrows significantly when employing few-shot examples alongside effective explainable AI (XAI) methods as sources of domain knowledge. Moreover, with sufficient time and an increased number of examples, the conversational style (NC) nearly matches the performance of ML models. Most notably, LLMs demonstrate comparable or superior cost-sensitive accuracy relative to ML models. This research confirms that, with appropriate domain knowledge and tailored communication strategies, LLMs can significantly enhance diagnostic processes. The findings highlight the importance of optimizing the number of training examples and communication styles to improve accuracy and reduce biases in LLM applications.

replace Generation of Granular-Balls for Clustering Based on the Principle of Justifiable Granularity

Authors: Zihang Jia, Zhen Zhang, Witold Pedrycz

Abstract: Efficient and robust data clustering remains a challenging task in the field of data analysis. Recent efforts have explored the integration of granular-ball (GB) computing with clustering algorithms to address this challenge, yielding promising results. However, existing methods for generating GBs often rely on single indicators to measure GB quality and employ threshold-based or greedy strategies, potentially leading to GBs that do not accurately capture the underlying data distribution. To address these limitations, this article introduces a novel GB generation method. The originality of this method lies in leveraging the principle of justifiable granularity to measure the quality of a GB for clustering tasks. To be precise, we define the coverage and specificity of a GB and introduce a comprehensive measure for assessing GB quality. Utilizing this quality measure, the method incorporates a binary tree pruning-based strategy and an anomaly detection method to determine the best combination of sub-GBs for each GB and identify abnormal GBs, respectively. Compared to previous GB generation methods, the new method maximizes the overall quality of generated GBs while ensuring alignment with the data distribution, thereby enhancing the rationality of the generated GBs. Experimental results obtained from both synthetic and publicly available datasets underscore the effectiveness of the proposed GB generation method, showcasing improvements in clustering accuracy and normalized mutual information.

replace Hyperparameter Importance Analysis for Multi-Objective AutoML

Authors: Daphne Theodorakopoulos, Frederic Stahl, Marius Lindauer

Abstract: Hyperparameter optimization plays a pivotal role in enhancing the predictive performance and generalization capabilities of ML models. However, in many applications, we do not only care about predictive performance but also about objectives such as inference time, memory, or energy consumption. In such MOO scenarios, determining the importance of hyperparameters poses a significant challenge due to the complex interplay between the conflicting objectives. In this paper, we propose the first method for assessing the importance of hyperparameters in the context of multi-objective hyperparameter optimization. Our approach leverages surrogate-based hyperparameter importance (HPI) measures, i.e. fANOVA and ablation paths, to provide insights into the impact of hyperparameters on the optimization objectives. Specifically, we compute the a-priori scalarization of the objectives and determine the importance of the hyperparameters for different objective tradeoffs. Through extensive empirical evaluations on diverse benchmark datasets with three different objectives paired with accuracy, namely time, demographic parity, and energy consumption, we demonstrate the effectiveness and robustness of our proposed method. Our findings not only offer valuable guidance for hyperparameter tuning in MOO tasks but also contribute to advancing the understanding of HPI in complex optimization scenarios.

replace A Unified Sequence Parallelism Approach for Long Context Generative AI

Authors: Jiarui Fang, Shangchun Zhao

Abstract: Sequence parallelism (SP), which divides the sequence dimension of input tensors across multiple computational devices, is becoming key to unlocking the long-context capabilities of generative AI models. This paper investigates the state-of-the-art SP approaches, i.e. DeepSpeed-Ulysses and Ring-Attention, and proposes a unified SP approach, which is more robust to transformer model architectures and network hardware topology. This paper compares the communication and memory cost of SP and existing parallelism, including data/tensor/zero/expert/pipeline parallelism, and discusses the best practices for designing hybrid 4D parallelism involving SP. We achieved 86% MFU on two 8xA800 nodes using SP for sequence length 208K for the LLAMA3-8B model. Our code is publicly available on \url{https://github.com/feifeibear/long-context-attention}.

URLs: https://github.com/feifeibear/long-context-attention

replace PHUDGE: Phi-3 as Scalable Judge

Authors: Mahesh Deshwal, Apoorva Chawla

Abstract: In this paper cum technical report, we present PHUDGE A fine tuned Phi3 model that achieved SOTA results in 4 tasks as Feedback Test, Feedback OOD, MT Human, Preference Test surpassing each and every existing model in latency and throughput. It shows very strong correlation not only with GPT4 but with Human annotators too in unseen data as well as in both absolute and relative grading tasks. We have not only addressed the usage of small LMs for cost effective production grade systems but have also shown that Causal modelling is not only slow in nature but sometimes it can hinder models learning capabilities and should be replaced by simpler tasks whenever we can to make the overall system faster and better. We show that by following systematic ML experimentation, thoughtful data augmentation and re purposing the problem itself, we can even beat 10x bigger models even with lesser training data. To the best of our knowledge, we are re the first one to experiment and showcase the usage of generalised version of Earth Movers Distance AKA Wasserstein distance by using Minkowski Distance with a penalty to control loss smoothing and can be used as a loss function instead of Cross Entropy to get stable training and better results for grading tasks.

replace POWQMIX: Weighted Value Factorization with Potentially Optimal Joint Actions Recognition for Cooperative Multi-Agent Reinforcement Learning

Authors: Chang Huang, Junqiao Zhao, Shatong Zhu, Hongtu Zhou, Chen Ye, Tiantian Feng, Changjun Jiang

Abstract: Value function factorization methods are commonly used in cooperative multi-agent reinforcement learning, with QMIX receiving significant attention. Many QMIX-based methods introduce monotonicity constraints between the joint action value and individual action values to achieve decentralized execution. However, such constraints limit the representation capacity of value factorization, restricting the joint action values it can represent and hindering the learning of the optimal policy. To address this challenge, we propose the Potentially Optimal joint actions Weighted QMIX (POWQMIX) algorithm, which recognizes the potentially optimal joint actions and assigns higher weights to the corresponding losses of these joint actions during training. We theoretically prove that with such a weighted training approach the optimal policy is guaranteed to be recovered. Experiments in matrix games, predator-prey, and StarCraft II Multi-Agent Challenge environments demonstrate that our algorithm outperforms the state-of-the-art value-based multi-agent reinforcement learning methods.

replace Learning functions on symmetric matrices and point clouds via lightweight invariant features

Authors: Ben Blum-Smith, Ningyuan Huang, Marco Cuturi, Soledad Villar

Abstract: In this work, we present a mathematical formulation for machine learning of (1) functions on symmetric matrices that are invariant with respect to the action of permutations by conjugation, and (2) functions on point clouds that are invariant with respect to rotations, reflections, and permutations of the points. To achieve this, we construct $O(n^2)$ invariant features derived from generators for the field of rational functions on $n\times n$ symmetric matrices that are invariant under joint permutations of rows and columns. We show that these invariant features can separate all distinct orbits of symmetric matrices except for a measure zero set; such features can be used to universally approximate invariant functions on almost all weighted graphs. For point clouds in a fixed dimension, we prove that the number of invariant features can be reduced, generically without losing expressivity, to $O(n)$, where $n$ is the number of points. We combine these invariant features with DeepSets to learn functions on symmetric matrices and point clouds with varying sizes. We empirically demonstrate the feasibility of our approach on molecule property regression and point cloud distance prediction.

replace Learning Decision Policies with Instrumental Variables through Double Machine Learning

Authors: Daqian Shao, Ashkan Soleymani, Francesco Quinzan, Marta Kwiatkowska

Abstract: A common issue in learning decision-making policies in data-rich settings is spurious correlations in the offline dataset, which can be caused by hidden confounders. Instrumental variable (IV) regression, which utilises a key unconfounded variable known as the instrument, is a standard technique for learning causal relationships between confounded action, outcome, and context variables. Most recent IV regression algorithms use a two-stage approach, where a deep neural network (DNN) estimator learnt in the first stage is directly plugged into the second stage, in which another DNN is used to estimate the causal effect. Naively plugging the estimator can cause heavy bias in the second stage, especially when regularisation bias is present in the first stage estimator. We propose DML-IV, a non-linear IV regression method that reduces the bias in two-stage IV regressions and effectively learns high-performing policies. We derive a novel learning objective to reduce bias and design the DML-IV algorithm following the double/debiased machine learning (DML) framework. The learnt DML-IV estimator has strong convergence rate and $O(N^{-1/2})$ suboptimality guarantees that match those when the dataset is unconfounded. DML-IV outperforms state-of-the-art IV regression methods on IV regression benchmarks and learns high-performing policies in the presence of instruments.

replace-cross Dual Correction Strategy for Ranking Distillation in Top-N Recommender System

Authors: Youngjune Lee, Kee-Eung Kim

Abstract: Knowledge Distillation (KD), which transfers the knowledge of a well-trained large model (teacher) to a small model (student), has become an important area of research for practical deployment of recommender systems. Recently, Relaxed Ranking Distillation (RRD) has shown that distilling the ranking information in the recommendation list significantly improves the performance. However, the method still has limitations in that 1) it does not fully utilize the prediction errors of the student model, which makes the training not fully efficient, and 2) it only distills the user-side ranking information, which provides an insufficient view under the sparse implicit feedback. This paper presents Dual Correction strategy for Distillation (DCD), which transfers the ranking information from the teacher model to the student model in a more efficient manner. Most importantly, DCD uses the discrepancy between the teacher model and the student model predictions to decide which knowledge to be distilled. By doing so, DCD essentially provides the learning guidance tailored to "correcting" what the student model has failed to accurately predict. This process is applied for transferring the ranking information from the user-side as well as the item-side to address sparse implicit user feedback. Our experiments show that the proposed method outperforms the state-of-the-art baselines, and ablation studies validate the effectiveness of each component.

replace-cross Smooth Anonymity for Sparse Graphs

Authors: Alessandro Epasto, Hossein Esfandiari, Vahab Mirrokni, Andres Munoz Medina

Abstract: When working with user data providing well-defined privacy guarantees is paramount. In this work, we aim to manipulate and share an entire sparse dataset with a third party privately. In fact, differential privacy has emerged as the gold standard of privacy, however, when it comes to sharing sparse datasets, e.g. sparse networks, as one of our main results, we prove that \emph{any} differentially private mechanism that maintains a reasonable similarity with the initial dataset is doomed to have a very weak privacy guarantee. In such situations, we need to look into other privacy notions such as $k$-anonymity. In this work, we consider a variation of $k$-anonymity, which we call smooth-$k$-anonymity, and design simple large-scale algorithms that efficiently provide smooth-$k$-anonymity. We further perform an empirical evaluation to back our theoretical guarantees and show that our algorithm improves the performance in downstream machine learning tasks on anonymized data.

replace-cross Classification by sparse generalized additive models

Authors: Felix Abramovich

Abstract: We consider (nonparametric) sparse (generalized) additive models (SpAM) for classification. The design of a SpAM classifier is based on minimizing the logistic loss with a sparse group Lasso/Slope-type penalties on the coefficients of univariate additive components' expansions in orthonormal series (e.g., Fourier or wavelets). The resulting classifier is inherently adaptive to the unknown sparsity and smoothness. We show that under certain sparse group restricted eigenvalue condition it is nearly-minimax (up to log-factors) simultaneously across the entire range of analytic, Sobolev and Besov classes. The performance of the proposed classifier is illustrated on a simulated and a real-data examples.

replace-cross Extracting the gamma-ray source-count distribution below the Fermi-LAT detection limit with deep learning

Authors: Aurelio Amerio, Alessandro Cuoco, Nicolao Fornengo

Abstract: We reconstruct the extra-galactic gamma-ray source-count distribution, or $dN/dS$, of resolved and unresolved sources by adopting machine learning techniques. Specifically, we train a convolutional neural network on synthetic 2-dimensional sky-maps, which are built by varying parameters of underlying source-counts models and incorporate the Fermi-LAT instrumental response functions. The trained neural network is then applied to the Fermi-LAT data, from which we estimate the source count distribution down to flux levels a factor of 50 below the Fermi-LAT threshold. We perform our analysis using 14 years of data collected in the $(1,10)$ GeV energy range. The results we obtain show a source count distribution which, in the resolved regime, is in excellent agreement with the one derived from catalogued sources, and then extends as $dN/dS \sim S^{-2}$ in the unresolved regime, down to fluxes of $5 \cdot 10^{-12}$ cm$^{-2}$ s$^{-1}$. The neural network architecture and the devised methodology have the flexibility to enable future analyses to study the energy dependence of the source-count distribution.

replace-cross Cleansing Jewel: A Neural Spelling Correction Model Built On Google OCR-ed Tibetan Manuscripts

Authors: Queenie Luo, Yung-Sung Chuang

Abstract: Scholars in the humanities rely heavily on ancient manuscripts to study history, religion, and socio-political structures in the past. Many efforts have been devoted to digitizing these precious manuscripts using OCR technology, but most manuscripts were blemished over the centuries so that an Optical Character Recognition (OCR) program cannot be expected to capture faded graphs and stains on pages. This work presents a neural spelling correction model built on Google OCR-ed Tibetan Manuscripts to auto-correct OCR-ed noisy output. This paper is divided into four sections: dataset, model architecture, training and analysis. First, we feature-engineered our raw Tibetan etext corpus into two sets of structured data frames -- a set of paired toy data and a set of paired real data. Then, we implemented a Confidence Score mechanism into the Transformer architecture to perform spelling correction tasks. According to the Loss and Character Error Rate, our Transformer + Confidence score mechanism architecture proves to be superior to Transformer, LSTM-2-LSTM and GRU-2-GRU architectures. Finally, to examine the robustness of our model, we analyzed erroneous tokens, visualized Attention and Self-Attention heatmaps in our model.

replace-cross A vector quantized masked autoencoder for audiovisual speech emotion recognition

Authors: Samir Sadok, Simon Leglaive, Renaud S\'eguier

Abstract: The limited availability of labeled data is a major challenge in audiovisual speech emotion recognition (SER). Self-supervised learning approaches have recently been proposed to mitigate the need for labeled data in various applications. This paper proposes the VQ-MAE-AV model, a vector quantized masked autoencoder (MAE) designed for audiovisual speech self-supervised representation learning and applied to SER. Unlike previous approaches, the proposed method employs a self-supervised paradigm based on discrete audio and visual speech representations learned by vector quantized variational autoencoders. A multimodal MAE with self- or cross-attention mechanisms is proposed to fuse the audio and visual speech modalities and to learn local and global representations of the audiovisual speech sequence, which are then used for an SER downstream task. Experimental results show that the proposed approach, which is pre-trained on the VoxCeleb2 database and fine-tuned on standard emotional audiovisual speech datasets, outperforms the state-of-the-art audiovisual SER methods. Extensive ablation experiments are also provided to assess the contribution of the different model components.

replace-cross Tailoring Instructions to Student's Learning Levels Boosts Knowledge Distillation

Authors: Yuxin Ren, Zihan Zhong, Xingjian Shi, Yi Zhu, Chun Yuan, Mu Li

Abstract: It has been commonly observed that a teacher model with superior performance does not necessarily result in a stronger student, highlighting a discrepancy between current teacher training practices and effective knowledge transfer. In order to enhance the guidance of the teacher training process, we introduce the concept of distillation influence to determine the impact of distillation from each training sample on the student's generalization ability. In this paper, we propose Learning Good Teacher Matters (LGTM), an efficient training technique for incorporating distillation influence into the teacher's learning process. By prioritizing samples that are likely to enhance the student's generalization ability, our LGTM outperforms 10 common knowledge distillation baselines on 6 text classification tasks in the GLUE benchmark.

replace-cross Nonparametric regression using over-parameterized shallow ReLU neural networks

Authors: Yunfei Yang, Ding-Xuan Zhou

Abstract: It is shown that over-parameterized neural networks can achieve minimax optimal rates of convergence (up to logarithmic factors) for learning functions from certain smooth function classes, if the weights are suitably constrained or regularized. Specifically, we consider the nonparametric regression of estimating an unknown $d$-variate function by using shallow ReLU neural networks. It is assumed that the regression function is from the H\"older space with smoothness $\alpha<(d+3)/2$ or a variation space corresponding to shallow neural networks, which can be viewed as an infinitely wide neural network. In this setting, we prove that least squares estimators based on shallow neural networks with certain norm constraints on the weights are minimax optimal, if the network width is sufficiently large. As a byproduct, we derive a new size-independent bound for the local Rademacher complexity of shallow ReLU neural networks, which may be of independent interest.

replace-cross Online Self-Supervised Deep Learning for Intrusion Detection Systems

Authors: Mert Nak{\i}p, Erol Gelenbe

Abstract: This paper proposes a novel Self-Supervised Intrusion Detection (SSID) framework, which enables a fully online Deep Learning (DL) based Intrusion Detection System (IDS) that requires no human intervention or prior off-line learning. The proposed framework analyzes and labels incoming traffic packets based only on the decisions of the IDS itself using an Auto-Associative Deep Random Neural Network, and on an online estimate of its statistically measured trustworthiness. The SSID framework enables IDS to adapt rapidly to time-varying characteristics of the network traffic, and eliminates the need for offline data collection. This approach avoids human errors in data labeling, and human labor and computational costs of model training and data collection. The approach is experimentally evaluated on public datasets and compared with well-known {machine learning and deep learning} models, showing that this SSID framework is very useful and advantageous as an accurate and online learning DL-based IDS for IoT systems.

replace-cross A Semi-Automated Solution Approach Recommender for a Given Use Case: a Case Study for AI/ML in Oncology via Scopus and OpenAI

Authors: Deniz Kenan K{\i}l{\i}\c{c}, Alex Elkj{\ae}r Vasegaard, Aur\'elien Desoeuvres, Peter Nielsen

Abstract: Nowadays, literature review is a necessary task when trying to solve a given problem. However, an exhaustive literature review is very time-consuming in today's vast literature landscape. It can take weeks, even if looking only for abstracts or surveys. Moreover, choosing a method among others, and targeting searches within relevant problem and solution domains, are not easy tasks. These are especially true for young researchers or engineers starting to work in their field. Even if surveys that provide methods used to solve a specific problem already exist, an automatic way to do it for any use case is missing, especially for those who don't know the existing literature. Our proposed tool, SARBOLD-LLM, allows discovering and choosing among methods related to a given problem, providing additional information about their uses in the literature to derive decision-making insights, in only a few hours. The SARBOLD-LLM comprises three modules: (1: Scopus search) paper selection using a keyword selection scheme to query Scopus API; (2: Scoring and method extraction) relevancy and popularity scores calculation and solution method extraction in papers utilizing OpenAI API (GPT 3.5); (3: Analyzes) sensitivity analysis and post-analyzes which reveals trends, relevant papers and methods. Comparing the SARBOLD-LLM to manual ground truth using precision, recall, and F1-score metrics, the performance results of AI in the oncology case study are 0.68, 0.9, and 0.77, respectively. SARBOLD-LLM demonstrates successful outcomes across various domains, showcasing its robustness and effectiveness. The SARBOLD-LLM addresses engineers more than researchers, as it proposes methods and trends without adding pros and cons. It is a useful tool to select which methods to investigate first and comes as a complement to surveys. This can limit the global search and accumulation of knowledge for the end user. However...

replace-cross Active learning of effective Hamiltonian for super-large-scale atomic structures

Authors: Xingyue Ma, Hongying Chen, Ri He, Zhanbo Yu, Sergei Prokhorenko, Zheng Wen, Zhicheng Zhong, Jorge I\~niguez, L. Bellaiche, Di Wu, Yurong Yang

Abstract: The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the parameterization of the effective Hamiltonian is complicated and can be difficult for some complex systems such as high-entropy perovskites. Here, we propose a general form of effective Hamiltonian and develop an active machine learning approach to parameterize the effective Hamiltonian based on Bayesian linear regression. The parameterization is employed in molecular dynamics simulations with the prediction of energy, forces, stress and their uncertainties at each step, which decides whether first-principles calculations are executed to retrain the parameters. Structures of BaTiO$_3$, Pb(Zr$_{0.75}$Ti$_{0.25}$)O$_3$ and (Pb,Sr)TiO$_3$ system are taken as examples to show the accuracy of this approach, as compared with conventional parametrization method and experiments. This machine learning approach provides a universal and automatic way to compute the effective Hamiltonian parameters for any considered complex systems with super-large-scale (more than $10^7$ atoms) atomic structures.

replace-cross Asymptotically Unbiased Synthetic Control Methods by Distribution Matching

Authors: Masahiro Kato, Akari Ohda, Masaaki Imaizumi

Abstract: Synthetic Control Methods (SCMs) have become an essential tool for comparative case studies. The fundamental idea of SCMs is to estimate the counterfactual outcomes of a treated unit using a weighted sum of the observed outcomes of untreated units. The accuracy of the synthetic control (SC) is critical for evaluating the treatment effect of a policy intervention; therefore, the estimation of SC weights has been the focus of extensive research. In this study, we first point out that existing SCMs suffer from an endogeneity problem, the correlation between the outcomes of untreated units and the error term of the synthetic control, which yields a bias in the treatment effect estimator. We then propose a novel SCM based on density matching, assuming that the density of outcomes of the treated unit can be approximated by a weighted average of the joint density of untreated units (i.e., a mixture model). Based on this assumption, we estimate SC weights by matching the moments of treated outcomes with the weighted sum of moments of untreated outcomes. Our proposed method has three advantages over existing methods: first, our estimator is asymptotically unbiased under the assumption of the mixture model; second, due to the asymptotic unbiasedness, we can reduce the mean squared error in counterfactual predictions; third, our method generates full densities of the treatment effect, not merely expected values, which broadens the applicability of SCMs. We provide experimental results to demonstrate the effectiveness of our proposed method.

replace-cross "Do Anything Now": Characterizing and Evaluating In-The-Wild Jailbreak Prompts on Large Language Models

Authors: Xinyue Shen, Zeyuan Chen, Michael Backes, Yun Shen, Yang Zhang

Abstract: The misuse of large language models (LLMs) has drawn significant attention from the general public and LLM vendors. One particular type of adversarial prompt, known as jailbreak prompt, has emerged as the main attack vector to bypass the safeguards and elicit harmful content from LLMs. In this paper, employing our new framework JailbreakHub, we conduct a comprehensive analysis of 1,405 jailbreak prompts spanning from December 2022 to December 2023. We identify 131 jailbreak communities and discover unique characteristics of jailbreak prompts and their major attack strategies, such as prompt injection and privilege escalation. We also observe that jailbreak prompts increasingly shift from online Web communities to prompt-aggregation websites and 28 user accounts have consistently optimized jailbreak prompts over 100 days. To assess the potential harm caused by jailbreak prompts, we create a question set comprising 107,250 samples across 13 forbidden scenarios. Leveraging this dataset, our experiments on six popular LLMs show that their safeguards cannot adequately defend jailbreak prompts in all scenarios. Particularly, we identify five highly effective jailbreak prompts that achieve 0.95 attack success rates on ChatGPT (GPT-3.5) and GPT-4, and the earliest one has persisted online for over 240 days. We hope that our study can facilitate the research community and LLM vendors in promoting safer and regulated LLMs.

replace-cross Stationarity without mean reversion in improper Gaussian processes

Authors: Luca Ambrogioni

Abstract: The behavior of a GP regression depends on the choice of covariance function. Stationary covariance functions are preferred in machine learning applications. However, (non-periodic) stationary covariance functions are always mean reverting and can therefore exhibit pathological behavior when applied to data that does not relax to a fixed global mean value. In this paper we show that it is possible to use improper GP priors with infinite variance to define processes that are stationary but not mean reverting. To this aim, we use of non-positive kernels that can only be defined in this limit regime. The resulting posterior distributions can be computed analytically and it involves a simple correction of the usual formulas. The main contribution of the paper is the introduction of a large family of smooth non-reverting covariance functions that closely resemble the kernels commonly used in the GP literature (e.g. squared exponential and Mat\'ern class). By analyzing both synthetic and real data, we demonstrate that these non-positive kernels solve some known pathologies of mean reverting GP regression while retaining most of the favorable properties of ordinary smooth stationary kernels.

replace-cross On the convergence of adaptive first order methods: proximal gradient and alternating minimization algorithms

Authors: Puya Latafat, Andreas Themelis, Panagiotis Patrinos

Abstract: Building upon recent works on linesearch-free adaptive proximal gradient methods, this paper proposes adaPG$^{q,r}$, a framework that unifies and extends existing results by providing larger stepsize policies and improved lower bounds. Different choices of the parameters $q$ and $r$ are discussed and the efficacy of the resulting methods is demonstrated through numerical simulations. In an attempt to better understand the underlying theory, its convergence is established in a more general setting that allows for time-varying parameters. Finally, an adaptive alternating minimization algorithm is presented by exploring the dual setting. This algorithm not only incorporates additional adaptivity, but also expands its applicability beyond standard strongly convex settings.

replace-cross BioCLIP: A Vision Foundation Model for the Tree of Life

Authors: Samuel Stevens, Jiaman Wu, Matthew J Thompson, Elizabeth G Campolongo, Chan Hee Song, David Edward Carlyn, Li Dong, Wasila M Dahdul, Charles Stewart, Tanya Berger-Wolf, Wei-Lun Chao, Yu Su

Abstract: Images of the natural world, collected by a variety of cameras, from drones to individual phones, are increasingly abundant sources of biological information. There is an explosion of computational methods and tools, particularly computer vision, for extracting biologically relevant information from images for science and conservation. Yet most of these are bespoke approaches designed for a specific task and are not easily adaptable or extendable to new questions, contexts, and datasets. A vision model for general organismal biology questions on images is of timely need. To approach this, we curate and release TreeOfLife-10M, the largest and most diverse ML-ready dataset of biology images. We then develop BioCLIP, a foundation model for the tree of life, leveraging the unique properties of biology captured by TreeOfLife-10M, namely the abundance and variety of images of plants, animals, and fungi, together with the availability of rich structured biological knowledge. We rigorously benchmark our approach on diverse fine-grained biology classification tasks and find that BioCLIP consistently and substantially outperforms existing baselines (by 16% to 17% absolute). Intrinsic evaluation reveals that BioCLIP has learned a hierarchical representation conforming to the tree of life, shedding light on its strong generalizability. https://imageomics.github.io/bioclip has models, data and code.

URLs: https://imageomics.github.io/bioclip

replace-cross Dynamic Adversarial Attacks on Autonomous Driving Systems

Authors: Amirhosein Chahe, Chenan Wang, Abhishek Jeyapratap, Kaidi Xu, Lifeng Zhou

Abstract: This paper introduces an attacking mechanism to challenge the resilience of autonomous driving systems. Specifically, we manipulate the decision-making processes of an autonomous vehicle by dynamically displaying adversarial patches on a screen mounted on another moving vehicle. These patches are optimized to deceive the object detection models into misclassifying targeted objects, e.g., traffic signs. Such manipulation has significant implications for critical multi-vehicle interactions such as intersection crossing and lane changing, which are vital for safe and efficient autonomous driving systems. Particularly, we make four major contributions. First, we introduce a novel adversarial attack approach where the patch is not co-located with its target, enabling more versatile and stealthy attacks. Moreover, our method utilizes dynamic patches displayed on a screen, allowing for adaptive changes and movement, enhancing the flexibility and performance of the attack. To do so, we design a Screen Image Transformation Network (SIT-Net), which simulates environmental effects on the displayed images, narrowing the gap between simulated and real-world scenarios. Further, we integrate a positional loss term into the adversarial training process to increase the success rate of the dynamic attack. Finally, we shift the focus from merely attacking perceptual systems to influencing the decision-making algorithms of self-driving systems. Our experiments demonstrate the first successful implementation of such dynamic adversarial attacks in real-world autonomous driving scenarios, paving the way for advancements in the field of robust and secure autonomous driving.

replace-cross Double Machine Learning for Static Panel Models with Fixed Effects

Authors: Paul Clarke, Annalivia Polselli

Abstract: Recent advances in causal inference have seen the development of methods which make use of the predictive power of machine learning algorithms. In this paper, we use double machine learning (DML) (Chernozhukov et al., 2018) to approximate high-dimensional and non-linear nuisance functions of the confounders to make inferences about the effects of policy interventions from panel data. We propose new estimators by adapting correlated random effects, within-group and first-difference estimation for linear models to an extension of Robinson (1988)'s partially linear regression model to static panel data models with individual fixed effects and unspecified non-linear confounder effects. Using Monte Carlo simulations, we compare the relative performance of different machine learning algorithms and find that conventional least squares estimators performs well when the data generating process is mildly non-linear and smooth, but there are substantial performance gains with DML in terms of bias reduction when the true effect of the regressors is non-linear and discontinuous. However, inference based on individual learners can lead to badly biased inference. Finally, we provide an illustrative example of DML for observational panel data showing the impact of the introduction of the minimum wage on voting behavior in the UK.

replace-cross Graph Network Surrogate Model for Subsurface Flow Optimization

Authors: Haoyu Tang, Louis J. Durlofsky

Abstract: The optimization of well locations and controls is an important step in the design of subsurface flow operations such as oil production or geological CO2 storage. These optimization problems can be computationally expensive, however, as many potential candidate solutions must be evaluated. In this study, we propose a graph network surrogate model (GNSM) for optimizing well placement and controls. The GNSM transforms the flow model into a computational graph that involves an encoding-processing-decoding architecture. Separate networks are constructed to provide global predictions for the pressure and saturation state variables. Model performance is enhanced through the inclusion of the single-phase steady-state pressure solution as a feature. A multistage multistep strategy is used for training. The trained GNSM is applied to predict flow responses in a 2D unstructured model of a channelized reservoir. Results are presented for a large set of test cases, in which five injection wells and five production wells are placed randomly throughout the model, with a random control variable (bottom-hole pressure) assigned to each well. Median relative error in pressure and saturation for 300 such test cases is 1-2%. The ability of the trained GNSM to provide accurate predictions for a new (geologically similar) permeability realization is demonstrated. Finally, the trained GNSM is used to optimize well locations and controls with a differential evolution algorithm. GNSM-based optimization results are comparable to those from simulation-based optimization, with a runtime speedup of a factor of 36. Much larger speedups are expected if the method is used for robust optimization, in which each candidate solution is evaluated on multiple geological models.

replace-cross Calibrating Wireless Ray Tracing for Digital Twinning using Local Phase Error Estimates

Authors: Clement Ruah, Osvaldo Simeone, Jakob Hoydis, Bashir Al-Hashimi

Abstract: Embodying the principle of simulation intelligence, digital twin (DT) systems construct and maintain a high-fidelity virtual model of a physical system. This paper focuses on ray tracing (RT), which is widely seen as an enabling technology for DTs of the radio access network (RAN) segment of next-generation disaggregated wireless systems. RT makes it possible to simulate channel conditions, enabling data augmentation and prediction-based transmission. However, the effectiveness of RT hinges on the adaptation of the electromagnetic properties assumed by the RT to actual channel conditions, a process known as calibration. The main challenge of RT calibration is the fact that small discrepancies in the geometric model fed to the RT software hinder the accuracy of the predicted phases of the simulated propagation paths. Existing solutions to this problem either rely on the channel power profile, hence disregarding phase information, or they operate on the channel responses by assuming the simulated phases to be sufficiently accurate for calibration. This paper proposes a novel channel response-based scheme that, unlike the state of the art, estimates and compensates for the phase errors in the RT-generated channel responses. The proposed approach builds on the variational expectation maximization algorithm with a flexible choice of the prior phase-error distribution that bridges between a deterministic model with no phase errors and a stochastic model with uniform phase errors. The algorithm is computationally efficient, and is demonstrated, by leveraging the open-source differentiable RT software available within the Sionna library, to outperform existing methods in terms of the accuracy of RT predictions.

replace-cross Towards Truly Zero-shot Compositional Visual Reasoning with LLMs as Programmers

Authors: Aleksandar Stani\'c, Sergi Caelles, Michael Tschannen

Abstract: Visual reasoning is dominated by end-to-end neural networks scaled to billions of model parameters and training examples. However, even the largest models struggle with compositional reasoning, generalization, fine-grained spatial and temporal reasoning, and counting. Visual reasoning with large language models (LLMs) as controllers can, in principle, address these limitations by decomposing the task and solving subtasks by orchestrating a set of (visual) tools. Recently, these models achieved great performance on tasks such as compositional visual question answering, visual grounding, and video temporal reasoning. Nevertheless, in their current form, these models heavily rely on human engineering of in-context examples in the prompt, which are often dataset- and task-specific and require significant labor by highly skilled programmers. In this work, we present a framework that mitigates these issues by introducing spatially and temporally abstract routines and by leveraging a small number of labeled examples to automatically generate in-context examples, thereby avoiding human-created in-context examples. On a number of visual reasoning tasks, we show that our framework leads to consistent gains in performance, makes LLMs as controllers setup more robust, and removes the need for human engineering of in-context examples.

replace-cross ChatQA: Surpassing GPT-4 on Conversational QA and RAG

Authors: Zihan Liu, Wei Ping, Rajarshi Roy, Peng Xu, Chankyu Lee, Mohammad Shoeybi, Bryan Catanzaro

Abstract: In this work, we introduce ChatQA, a suite of models that outperform GPT-4 on retrieval-augmented generation (RAG) and conversational question answering (QA). To enhance generation, we propose a two-stage instruction tuning method that significantly boosts the performance of RAG. For effective retrieval, we introduce a dense retriever optimized for conversational QA, which yields results comparable to the alternative state-of-the-art query rewriting models, while substantially reducing deployment costs. We also present the ChatRAG Bench, which encompasses ten datasets covering comprehensive evaluations on RAG, table-related QA, arithmetic calculations, and scenarios involving unanswerable questions. Our ChatQA-1.0-70B (score: 54.14), built on Llama2, a weaker foundation model than GPT-4, can slightly outperform GPT-4-0613 (score: 53.90) and GPT-4-Turbo-2024-04-09 (score: 54.03) on the ChatRAG Bench, without relying on any synthetic data from OpenAI GPT models. Notably, Llama3-ChatQA-1.5-70B model surpasses the accuracy of GPT-4-Turbo-2024-04-09 by a margin. To advance research in this field, we open-sourced the model weights, instruction tuning data, ChatRAG Bench, and retriever for the community: https://chatqa-project.github.io/.

URLs: https://chatqa-project.github.io/.

replace-cross Transforming gradient-based techniques into interpretable methods

Authors: Caroline Mazini Rodrigues (LRDE, LIGM), Nicolas Boutry (LRDE), Laurent Najman (LIGM)

Abstract: The explication of Convolutional Neural Networks (CNN) through xAI techniques often poses challenges in interpretation. The inherent complexity of input features, notably pixels extracted from images, engenders complex correlations. Gradient-based methodologies, exemplified by Integrated Gradients (IG), effectively demonstrate the significance of these features. Nevertheless, the conversion of these explanations into images frequently yields considerable noise. Presently, we introduce GAD (Gradient Artificial Distancing) as a supportive framework for gradient-based techniques. Its primary objective is to accentuate influential regions by establishing distinctions between classes. The essence of GAD is to limit the scope of analysis during visualization and, consequently reduce image noise. Empirical investigations involving occluded images have demonstrated that the identified regions through this methodology indeed play a pivotal role in facilitating class differentiation.

replace-cross Multilingual Text-to-Image Generation Magnifies Gender Stereotypes and Prompt Engineering May Not Help You

Authors: Felix Friedrich, Katharina H\"ammerl, Patrick Schramowski, Manuel Brack, Jindrich Libovicky, Kristian Kersting, Alexander Fraser

Abstract: Text-to-image generation models have recently achieved astonishing results in image quality, flexibility, and text alignment, and are consequently employed in a fast-growing number of applications. Through improvements in multilingual abilities, a larger community now has access to this technology. However, our results show that multilingual models suffer from significant gender biases just as monolingual models do. Furthermore, the natural expectation that multilingual models will provide similar results across languages does not hold up. Instead, there are important differences between languages. We propose a novel benchmark, MAGBIG, intended to foster research on gender bias in multilingual models. We use MAGBIG to investigate the effect of multilingualism on gender bias in T2I models. To this end, we construct multilingual prompts requesting portraits of people with a certain occupation or trait. Our results show that not only do models exhibit strong gender biases but they also behave differently across languages. Furthermore, we investigate prompt engineering strategies, such as indirect, neutral formulations, to mitigate these biases. Unfortunately, these approaches have limited success and result in worse text-to-image alignment. Consequently, we call for more research into diverse representations across languages in image generators, as well as into steerability to address biased model behavior.

replace-cross Sliced-Wasserstein Estimation with Spherical Harmonics as Control Variates

Authors: R\'emi Leluc, Aymeric Dieuleveut, Fran\c{c}ois Portier, Johan Segers, Aigerim Zhuman

Abstract: The Sliced-Wasserstein (SW) distance between probability measures is defined as the average of the Wasserstein distances resulting for the associated one-dimensional projections. As a consequence, the SW distance can be written as an integral with respect to the uniform measure on the sphere and the Monte Carlo framework can be employed for calculating the SW distance. Spherical harmonics are polynomials on the sphere that form an orthonormal basis of the set of square-integrable functions on the sphere. Putting these two facts together, a new Monte Carlo method, hereby referred to as Spherical Harmonics Control Variates (SHCV), is proposed for approximating the SW distance using spherical harmonics as control variates. The resulting approach is shown to have good theoretical properties, e.g., a no-error property for Gaussian measures under a certain form of linear dependency between the variables. Moreover, an improved rate of convergence, compared to Monte Carlo, is established for general measures. The convergence analysis relies on the Lipschitz property associated to the SW integrand. Several numerical experiments demonstrate the superior performance of SHCV against state-of-the-art methods for SW distance computation.

replace-cross LLM Voting: Human Choices and AI Collective Decision Making

Authors: Joshua C. Yang, Damian Dailisan, Marcin Korecki, Carina I. Hausladen, Dirk Helbing

Abstract: This paper investigates the voting behaviors of Large Language Models (LLMs), specifically GPT-4 and LLaMA-2, their biases, and how they align with human voting patterns. Our methodology involved using a dataset from a human voting experiment to establish a baseline for human preferences and a corresponding experiment with LLM agents. We observed that the methods used for voting input and the presentation of choices influence LLM voting behavior. We discovered that varying the persona can reduce some of these biases and enhance alignment with human choices. While the Chain-of-Thought approach did not improve prediction accuracy, it has potential for AI explainability in the voting process. We also identified a trade-off between preference diversity and alignment accuracy in LLMs, influenced by different temperature settings. Our findings indicate that LLMs may lead to less diverse collective outcomes and biased assumptions when used in voting scenarios, emphasizing the importance of cautious integration of LLMs into democratic processes.

replace-cross Integrating DeepRL with Robust Low-Level Control in Robotic Manipulators for Non-Repetitive Reaching Tasks

Authors: Mehdi Heydari Shahna, Seyed Adel Alizadeh Kolagar, Jouni Mattila

Abstract: In robotics, contemporary strategies are learning-based, characterized by a complex black-box nature and a lack of interpretability, which may pose challenges in ensuring stability and safety. To address these issues, we propose integrating a collision-free trajectory planner based on deep reinforcement learning (DRL) with a novel auto-tuning low-level control strategy, all while actively engaging in the learning phase through interactions with the environment. This approach circumvents the control performance and complexities associated with computations while addressing nonrepetitive reaching tasks in the presence of obstacles. First, a model-free DRL agent is employed to plan velocity-bounded motion for a manipulator with 'n' degrees of freedom (DoF), ensuring collision avoidance for the end-effector through joint-level reasoning. The generated reference motion is then input into a robust subsystem-based adaptive controller, which produces the necessary torques, while the cuckoo search optimization (CSO) algorithm enhances control gains to minimize the stabilization and tracking error in the steady state. This approach guarantees robustness and uniform exponential convergence in an unfamiliar environment, despite the presence of uncertainties and disturbances. Theoretical assertions are validated through the presentation of simulation outcomes.

replace-cross Conformalized Adaptive Forecasting of Heterogeneous Trajectories

Authors: Yanfei Zhou, Lars Lindemann, Matteo Sesia

Abstract: This paper presents a new conformal method for generating simultaneous forecasting bands guaranteed to cover the entire path of a new random trajectory with sufficiently high probability. Prompted by the need for dependable uncertainty estimates in motion planning applications where the behavior of diverse objects may be more or less unpredictable, we blend different techniques from online conformal prediction of single and multiple time series, as well as ideas for addressing heteroscedasticity in regression. This solution is both principled, providing precise finite-sample guarantees, and effective, often leading to more informative predictions than prior methods.

replace-cross 3D Diffusion Policy: Generalizable Visuomotor Policy Learning via Simple 3D Representations

Authors: Yanjie Ze, Gu Zhang, Kangning Zhang, Chenyuan Hu, Muhan Wang, Huazhe Xu

Abstract: Imitation learning provides an efficient way to teach robots dexterous skills; however, learning complex skills robustly and generalizablely usually consumes large amounts of human demonstrations. To tackle this challenging problem, we present 3D Diffusion Policy (DP3), a novel visual imitation learning approach that incorporates the power of 3D visual representations into diffusion policies, a class of conditional action generative models. The core design of DP3 is the utilization of a compact 3D visual representation, extracted from sparse point clouds with an efficient point encoder. In our experiments involving 72 simulation tasks, DP3 successfully handles most tasks with just 10 demonstrations and surpasses baselines with a 24.2% relative improvement. In 4 real robot tasks, DP3 demonstrates precise control with a high success rate of 85%, given only 40 demonstrations of each task, and shows excellent generalization abilities in diverse aspects, including space, viewpoint, appearance, and instance. Interestingly, in real robot experiments, DP3 rarely violates safety requirements, in contrast to baseline methods which frequently do, necessitating human intervention. Our extensive evaluation highlights the critical importance of 3D representations in real-world robot learning. Videos, code, and data are available on https://3d-diffusion-policy.github.io .

URLs: https://3d-diffusion-policy.github.io

replace-cross Efficient Pruning of Large Language Model with Adaptive Estimation Fusion

Authors: Jun Liu, Chao Wu, Changdi Yang, Hao Tang, Zhenglun Kong, Geng Yuan, Wei Niu, Dong Huang, Yanzhi Wang

Abstract: Large language models (LLMs) have become crucial for many generative downstream tasks, leading to an inevitable trend and significant challenge to deploy them efficiently on resource-constrained devices. Structured pruning is a widely used method to address this challenge. However, when dealing with the complex structure of the multiple decoder layers, general methods often employ common estimation approaches for pruning. These approaches lead to a decline in accuracy for specific downstream tasks. In this paper, we introduce a simple yet efficient method that adaptively models the importance of each substructure. Meanwhile, it can adaptively fuse coarse-grained and finegrained estimations based on the results from complex and multilayer structures. All aspects of our design seamlessly integrate into the endto-end pruning framework. Our experimental results, compared with state-of-the-art methods on mainstream datasets, demonstrate average accuracy improvements of 1.1%, 1.02%, 2.0%, and 1.2% for LLaMa-7B,Vicuna-7B, Baichuan-7B, and Bloom-7b1, respectively.

replace-cross Importance of realism in procedurally-generated synthetic images for deep learning: case studies in maize and canola

Authors: Nazifa Azam Khan, Mikolaj Cieslak, Ian McQuillan

Abstract: Artificial neural networks are often used to identify features of crop plants. However, training their models requires many annotated images, which can be expensive and time-consuming to acquire. Procedural models of plants, such as those developed with Lindenmayer-systems (L-systems) can be created to produce visually realistic simulations, and hence images of plant simulations, where annotations are implicitly known. These synthetic images can either augment or completely replace real images in training neural networks for phenotyping tasks. In this paper, we systematically vary amounts of real and synthetic images used for training in both maize and canola to better understand situations where synthetic images generated from L-systems can help prediction on real images. This work also explores the degree to which realism in the synthetic images improves prediction. We have five different variants of a procedural canola model (these variants were created by tuning the realism while using calibration), and the deep learning results showed how drastically these results improve as the canola synthetic images are made to be more realistic. Furthermore, we see how neural network predictions can be used to help calibrate L-systems themselves, creating a feedback loop.

replace-cross MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space

Authors: Yanru Qu, Keyue Qiu, Yuxuan Song, Jingjing Gong, Jiawei Han, Mingyue Zheng, Hao Zhou, Wei-Ying Ma

Abstract: Generative models for structure-based drug design (SBDD) have shown promising results in recent years. Existing works mainly focus on how to generate molecules with higher binding affinity, ignoring the feasibility prerequisites for generated 3D poses and resulting in false positives. We conduct thorough studies on key factors of ill-conformational problems when applying autoregressive methods and diffusion to SBDD, including mode collapse and hybrid continuous-discrete space. In this paper, we introduce MolCRAFT, the first SBDD model that operates in the continuous parameter space, together with a novel noise reduced sampling strategy. Empirical results show that our model consistently achieves superior performance in binding affinity with more stable 3D structure, demonstrating our ability to accurately model interatomic interactions. To our best knowledge, MolCRAFT is the first to achieve reference-level Vina Scores (-6.59 kcal/mol) with comparable molecular size, outperforming other strong baselines by a wide margin (-0.84 kcal/mol). Code is available at https://github.com/AlgoMole/MolCRAFT.

URLs: https://github.com/AlgoMole/MolCRAFT.

replace-cross OccFeat: Self-supervised Occupancy Feature Prediction for Pretraining BEV Segmentation Networks

Authors: Sophia Sirko-Galouchenko, Alexandre Boulch, Spyros Gidaris, Andrei Bursuc, Antonin Vobecky, Patrick P\'erez, Renaud Marlet

Abstract: We introduce a self-supervised pretraining method, called OcFeat, for camera-only Bird's-Eye-View (BEV) segmentation networks. With OccFeat, we pretrain a BEV network via occupancy prediction and feature distillation tasks. Occupancy prediction provides a 3D geometric understanding of the scene to the model. However, the geometry learned is class-agnostic. Hence, we add semantic information to the model in the 3D space through distillation from a self-supervised pretrained image foundation model. Models pretrained with our method exhibit improved BEV semantic segmentation performance, particularly in low-data scenarios. Moreover, empirical results affirm the efficacy of integrating feature distillation with 3D occupancy prediction in our pretraining approach.

replace-cross Using Deep Learning to Identify Initial Error Sensitivity for Interpretable ENSO Forecasts

Authors: Kinya Toride, Matthew Newman, Andrew Hoell, Antonietta Capotondi, Jakob Schl\"or, Dillon Amaya

Abstract: We introduce an interpretable-by-design method, optimized model-analog, that integrates deep learning with model-analog forecasting, a straightforward yet effective approach that generates forecasts from similar initial climate states in a repository of model simulations. This hybrid framework employs a convolutional neural network to estimate state-dependent weights to identify initial analog states that lead to shadowing target trajectories. The advantage of our method lies in its inherent interpretability, offering insights into initial-error-sensitive regions through estimated weights and the ability to trace the physically-based evolution of the system through analog forecasting. We evaluate our approach using the Community Earth System Model Version 2 Large Ensemble to forecast the El Ni\~no-Southern Oscillation (ENSO) on a seasonal-to-annual time scale. Results show a 10% improvement in forecasting equatorial Pacific sea surface temperature anomalies at 9-12 months leads compared to the original (unweighted) model-analog technique. Furthermore, our model demonstrates improvements in boreal winter and spring initialization when evaluated against a reanalysis dataset. Our approach reveals state-dependent regional sensitivity linked to various seasonally varying physical processes, including the Pacific Meridional Modes, equatorial recharge oscillator, and stochastic wind forcing. Additionally, disparities emerge in the sensitivity associated with El Ni\~no versus La Ni\~na events. El Ni\~no forecasts are more sensitive to initial uncertainty in tropical Pacific sea surface temperatures, while La Ni\~na forecasts are more sensitive to initial uncertainty in tropical Pacific zonal wind stress. This approach has broad implications for forecasting diverse climate phenomena, including regional temperature and precipitation, which are challenging for the original model-analog approach.

replace-cross MileBench: Benchmarking MLLMs in Long Context

Authors: Dingjie Song, Shunian Chen, Guiming Hardy Chen, Fei Yu, Xiang Wan, Benyou Wang

Abstract: Despite the advancements and impressive performance of Multimodal Large Language Models (MLLMs) on benchmarks, their effectiveness in real-world, long-context, and multi-image tasks is unclear due to the benchmarks' limited scope. Existing benchmarks often focus on single-image and short-text samples, and when assessing multi-image tasks, they either limit the image count or focus on specific task (e.g time-series captioning), potentially obscuring the performance challenges of MLLMs. To address these limitations, we introduce MileBench, a pioneering benchmark designed to test the MultImodal Long-contExt capabilities of MLLMs. This benchmark comprises not only multimodal long contexts, but also multiple tasks requiring both comprehension and generation. We establish two distinct evaluation sets, diagnostic and realistic, to systematically assess MLLMs' long-context adaptation capacity and their ability to complete tasks in long-context scenarios. Our experimental results, obtained from testing 22 models, revealed that while the closed-source GPT-4o outperforms others, most open-source MLLMs struggle in long-context situations. Interestingly, the performance gap tends to widen with an increase in the number of images. We strongly encourage an intensification of research efforts towards enhancing MLLMs' long-context capabilities, especially in scenarios involving multiple images.

replace-cross Federated Learning and Differential Privacy Techniques on Multi-hospital Population-scale Electrocardiogram Data

Authors: Vikhyat Agrawal, Sunil Vasu Kalmady, Venkataseetharam Manoj Malipeddi, Manisimha Varma Manthena, Weijie Sun, Saiful Islam, Abram Hindle, Padma Kaul, Russell Greiner

Abstract: This research paper explores ways to apply Federated Learning (FL) and Differential Privacy (DP) techniques to population-scale Electrocardiogram (ECG) data. The study learns a multi-label ECG classification model using FL and DP based on 1,565,849 ECG tracings from 7 hospitals in Alberta, Canada. The FL approach allowed collaborative model training without sharing raw data between hospitals while building robust ECG classification models for diagnosing various cardiac conditions. These accurate ECG classification models can facilitate the diagnoses while preserving patient confidentiality using FL and DP techniques. Our results show that the performance achieved using our implementation of the FL approach is comparable to that of the pooled approach, where the model is trained over the aggregating data from all hospitals. Furthermore, our findings suggest that hospitals with limited ECGs for training can benefit from adopting the FL model compared to single-site training. In addition, this study showcases the trade-off between model performance and data privacy by employing DP during model training. Our code is available at https://github.com/vikhyatt/Hospital-FL-DP.

URLs: https://github.com/vikhyatt/Hospital-FL-DP.

replace-cross SSUMamba: Spatial-Spectral Selective State Space Model for Hyperspectral Image Denoising

Authors: Guanyiman Fu, Fengchao Xiong, Jianfeng Lu, Jun Zhou, Yuntao Qian

Abstract: Denoising hyperspectral images (HSIs) is a crucial preprocessing procedure due to the noise originating from intra-imaging mechanisms and environmental factors. Utilizing domain-specific knowledge of HSIs, such as spectral correlation, spatial self-similarity, and spatial-spectral correlation, is essential for deep learning-based denoising. Existing methods are often constrained by running time, space complexity, and computational complexity, employing strategies that explore these priors separately. While these strategies can avoid some redundant information, they inevitably overlook broader and more underlying long-range spatial-spectral information that positively impacts image restoration. This paper proposes a Spatial-Spectral Selective State Space Model-based U-shaped network, termed Spatial-Spectral U-Mamba (SSUMamba), for hyperspectral image denoising. We can obtain complete global spatial-spectral correlation within a module thanks to the linear space complexity in State Space Model (SSM) computations. We introduce a Spatial-Spectral Alternating Scan (SSAS) strategy for HSIs, which helps model the information flow in multiple directions in 3-D HSIs. Experimental results demonstrate that our method outperforms compared methods. The source code is available at https://github.com/lronkitty/SSUMamba.

URLs: https://github.com/lronkitty/SSUMamba.

replace-cross Hoaxpedia: A Unified Wikipedia Hoax Articles Dataset

Authors: Hsuvas Borkakoty, Luis Espinosa-Anke

Abstract: Hoaxes are a recognised form of disinformation created deliberately, with potential serious implications in the credibility of reference knowledge resources such as Wikipedia. What makes detecting Wikipedia hoaxes hard is that they often are written according to the official style guidelines. In this work, we first provide a systematic analysis of the similarities and discrepancies between legitimate and hoax Wikipedia articles, and introduce Hoaxpedia, a collection of 311 Hoax articles (from existing literature as well as official Wikipedia lists) alongside semantically similar real articles. We report results of binary classification experiments in the task of predicting whether a Wikipedia article is real or hoax, and analyze several settings as well as a range of language models. Our results suggest that detecting deceitful content in Wikipedia based on content alone, despite not having been explored much in the past, is a promising direction.

replace-cross Automatic Programming: Large Language Models and Beyond

Authors: Michael R. Lyu, Baishakhi Ray, Abhik Roychoudhury, Shin Hwei Tan, Patanamon Thongtanunam

Abstract: Automatic programming has seen increasing popularity due to the emergence of tools like GitHub Copilot which rely on Large Language Models (LLMs). At the same time, automatically generated code faces challenges during deployment due to concerns around quality and trust. In this article, we study automated coding in a general sense and study the concerns around code quality, security and related issues of programmer responsibility. These are key issues for organizations while deciding on the usage of automatically generated code. We discuss how advances in software engineering such as program repair and analysis can enable automatic programming. We conclude with a forward looking view, focusing on the programming environment of the near future, where programmers may need to switch to different roles to fully utilize the power of automatic programming. Automated repair of automatically generated programs from LLMs, can help produce higher assurance code from LLMs, along with evidence of assurance

replace-cross TLINet: Differentiable Neural Network Temporal Logic Inference

Authors: Danyang Li, Mingyu Cai, Cristian-Ioan Vasile, Roberto Tron

Abstract: There has been a growing interest in extracting formal descriptions of the system behaviors from data. Signal Temporal Logic (STL) is an expressive formal language used to describe spatial-temporal properties with interpretability. This paper introduces TLINet, a neural-symbolic framework for learning STL formulas. The computation in TLINet is differentiable, enabling the usage of off-the-shelf gradient-based tools during the learning process. In contrast to existing approaches, we introduce approximation methods for max operator designed specifically for temporal logic-based gradient techniques, ensuring the correctness of STL satisfaction evaluation. Our framework not only learns the structure but also the parameters of STL formulas, allowing flexible combinations of operators and various logical structures. We validate TLINet against state-of-the-art baselines, demonstrating that our approach outperforms these baselines in terms of interpretability, compactness, rich expressibility, and computational efficiency.

replace-cross Parameter-Efficient Instruction Tuning of Large Language Models For Extreme Financial Numeral Labelling

Authors: Subhendu Khatuya, Rajdeep Mukherjee, Akash Ghosh, Manjunath Hegde, Koustuv Dasgupta, Niloy Ganguly, Saptarshi Ghosh, Pawan Goyal

Abstract: We study the problem of automatically annotating relevant numerals (GAAP metrics) occurring in the financial documents with their corresponding XBRL tags. Different from prior works, we investigate the feasibility of solving this extreme classification problem using a generative paradigm through instruction tuning of Large Language Models (LLMs). To this end, we leverage metric metadata information to frame our target outputs while proposing a parameter efficient solution for the task using LoRA. We perform experiments on two recently released financial numeric labeling datasets. Our proposed model, FLAN-FinXC, achieves new state-of-the-art performances on both the datasets, outperforming several strong baselines. We explain the better scores of our proposed model by demonstrating its capability for zero-shot as well as the least frequently occurring tags. Also, even when we fail to predict the XBRL tags correctly, our generated output has substantial overlap with the ground-truth in majority of the cases.

replace-cross On the Shape of Brainscores for Large Language Models (LLMs)

Authors: Jingkai Li

Abstract: With the rise of Large Language Models (LLMs), the novel metric "Brainscore" emerged as a means to evaluate the functional similarity between LLMs and human brain/neural systems. Our efforts were dedicated to mining the meaning of the novel score by constructing topological features derived from both human fMRI data involving 190 subjects, and 39 LLMs plus their untrained counterparts. Subsequently, we trained 36 Linear Regression Models and conducted thorough statistical analyses to discern reliable and valid features from our constructed ones. Our findings reveal distinctive feature combinations conducive to interpreting existing brainscores across various brain regions of interest (ROIs) and hemispheres, thereby significantly contributing to advancing interpretable machine learning (iML) studies. The study is enriched by our further discussions and analyses concerning existing brainscores. To our knowledge, this study represents the first attempt to comprehend the novel metric brainscore within this interdisciplinary domain.

replace-cross Almanac Copilot: Towards Autonomous Electronic Health Record Navigation

Authors: Cyril Zakka, Joseph Cho, Gracia Fahed, Rohan Shad, Michael Moor, Robyn Fong, Dhamanpreet Kaur, Vishnu Ravi, Oliver Aalami, Roxana Daneshjou, Akshay Chaudhari, William Hiesinger

Abstract: Clinicians spend large amounts of time on clinical documentation, and inefficiencies impact quality of care and increase clinician burnout. Despite the promise of electronic medical records (EMR), the transition from paper-based records has been negatively associated with clinician wellness, in part due to poor user experience, increased burden of documentation, and alert fatigue. In this study, we present Almanac Copilot, an autonomous agent capable of assisting clinicians with EMR-specific tasks such as information retrieval and order placement. On EHR-QA, a synthetic evaluation dataset of 300 common EHR queries based on real patient data, Almanac Copilot obtains a successful task completion rate of 74% (n = 221 tasks) with a mean score of 2.45 over 3 (95% CI:2.34-2.56). By automating routine tasks and streamlining the documentation process, our findings highlight the significant potential of autonomous agents to mitigate the cognitive load imposed on clinicians by current EMR systems.

replace-cross Prospects of Privacy Advantage in Quantum Machine Learning

Authors: Jamie Heredge, Niraj Kumar, Dylan Herman, Shouvanik Chakrabarti, Romina Yalovetzky, Shree Hari Sureshbabu, Changhao Li, Marco Pistoia

Abstract: Ensuring data privacy in machine learning models is critical, particularly in distributed settings where model gradients are typically shared among multiple parties to allow collaborative learning. Motivated by the increasing success of recovering input data from the gradients of classical models, this study addresses a central question: How hard is it to recover the input data from the gradients of quantum machine learning models? Focusing on variational quantum circuits (VQC) as learning models, we uncover the crucial role played by the dynamical Lie algebra (DLA) of the VQC ansatz in determining privacy vulnerabilities. While the DLA has previously been linked to the classical simulatability and trainability of VQC models, this work, for the first time, establishes its connection to the privacy of VQC models. In particular, we show that properties conducive to the trainability of VQCs, such as a polynomial-sized DLA, also facilitate the extraction of detailed snapshots of the input. We term this a weak privacy breach, as the snapshots enable training VQC models for distinct learning tasks without direct access to the original input. Further, we investigate the conditions for a strong privacy breach where the original input data can be recovered from these snapshots by classical or quantum-assisted polynomial time methods. We establish conditions on the encoding map such as classical simulatability, overlap with DLA basis, and its Fourier frequency characteristics that enable such a privacy breach of VQC models. Our findings thus play a crucial role in detailing the prospects of quantum privacy advantage by guiding the requirements for designing quantum machine learning models that balance trainability with robust privacy protection.