new Unsupervised Representation Learning of Complex Time Series for Maneuverability State Identification in Smart Mobility

Authors: Thabang Lebese

Abstract: Multivariate Time Series (MTS) data capture temporal behaviors to provide invaluable insights into various physical dynamic phenomena. In smart mobility, MTS plays a crucial role in providing temporal dynamics of behaviors such as maneuver patterns, enabling early detection of anomalous behaviors while facilitating pro-activity in Prognostics and Health Management (PHM). In this work, we aim to address challenges associated with modeling MTS data collected from a vehicle using sensors. Our goal is to investigate the effectiveness of two distinct unsupervised representation learning approaches in identifying maneuvering states in smart mobility. Specifically, we focus on some bivariate accelerations extracted from 2.5 years of driving, where the dataset is non-stationary, long, noisy, and completely unlabeled, making manual labeling impractical. The approaches of interest are Temporal Neighborhood Coding for Maneuvering (TNC4Maneuvering) and Decoupled Local and Global Representation learner for Maneuvering (DLG4Maneuvering). The main advantage of these frameworks is that they capture transferable insights in a form of representations from the data that can be effectively applied in multiple subsequent tasks, such as time-series classification, clustering, and multi-linear regression, which are the quantitative measures and qualitative measures, including visualization of representations themselves and resulting reconstructed MTS, respectively. We compare their effectiveness, where possible, in order to gain insights into which approach is more effective in identifying maneuvering states in smart mobility.

new Data-efficient and Interpretable Inverse Materials Design using a Disentangled Variational Autoencoder

Authors: Cheng Zeng, Zulqarnain Khan, Nathan L. Post

Abstract: Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials representations. A latent space learned this way is likely to be entangled, in terms of the target property and other properties of the materials. This makes the inverse design process ambiguous. Here, we present a semi-supervised learning approach based on a disentangled variational autoencoder to learn a probabilistic relationship between features, latent variables and target properties. This approach is data efficient because it combines all labelled and unlabelled data in a coherent manner, and it uses expert-informed prior distributions to improve model robustness even with limited labelled data. It is in essence interpretable, as the learnable target property is disentangled out of the other properties of the materials, and an extra layer of interpretability can be provided by a post-hoc analysis of the classification head of the model. We demonstrate this new approach on an experimental high-entropy alloy dataset with chemical compositions as input and single-phase formation as the single target property. While single property is used in this work, the disentangled model can be extended to customize for inverse design of materials with multiple target properties.

new Personalized Knowledge Tracing through Student Representation Reconstruction and Class Imbalance Mitigation

Authors: Zhiyu Chen, Wei Ji, Jing Xiao, Zitao Liu

Abstract: Knowledge tracing is a technique that predicts students' future performance by analyzing their learning process through historical interactions with intelligent educational platforms, enabling a precise evaluation of their knowledge mastery. Recent studies have achieved significant progress by leveraging powerful deep neural networks. These models construct complex input representations using questions, skills, and other auxiliary information but overlook individual student characteristics, which limits the capability for personalized assessment. Additionally, the available datasets in the field exhibit class imbalance issues. The models that simply predict all responses as correct without substantial effort can yield impressive accuracy. In this paper, we propose PKT, a novel approach for personalized knowledge tracing. PKT reconstructs representations from sequences of interactions with a tutoring platform to capture latent information about the students. Moreover, PKT incorporates focal loss to improve prioritize minority classes, thereby achieving more balanced predictions. Extensive experimental results on four publicly available educational datasets demonstrate the advanced predictive performance of PKT in comparison with 16 state-of-the-art models. To ensure the reproducibility of our research, the code is publicly available at https://anonymous.4open.science/r/PKT.

URLs: https://anonymous.4open.science/r/PKT.

new Distributed Cooperative AI for Large-Scale Eigenvalue Computations Using Neural Networks

Authors: Ronald Katende

Abstract: This paper presents a novel method for eigenvalue computation using a distributed cooperative neural network framework. Unlike traditional techniques that struggle with scalability in large systems, our decentralized algorithm enables multiple autonomous agents to collaboratively estimate the smallest eigenvalue of large matrices. Each agent uses a localized neural network model, refining its estimates through inter-agent communication. Our approach guarantees convergence to the true eigenvalue, even with communication failures or network disruptions. Theoretical analysis confirms the robustness and accuracy of the method, while empirical results demonstrate its better performance compared to some traditional centralized algorithms

new EasyST: A Simple Framework for Spatio-Temporal Prediction

Authors: Jiabin Tang, Wei Wei, Lianghao Xia, Chao Huang

Abstract: Spatio-temporal prediction is a crucial research area in data-driven urban computing, with implications for transportation, public safety, and environmental monitoring. However, scalability and generalization challenges remain significant obstacles. Advanced models often rely on Graph Neural Networks to encode spatial and temporal correlations, but struggle with the increased complexity of large-scale datasets. The recursive GNN-based message passing schemes used in these models hinder their training and deployment in real-life urban sensing scenarios. Moreover, long-spanning large-scale spatio-temporal data introduce distribution shifts, necessitating improved generalization performance. To address these challenges, we propose a simple framework for spatio-temporal prediction - EasyST paradigm. It learns lightweight and robust Multi-Layer Perceptrons (MLPs) by effectively distilling knowledge from complex spatio-temporal GNNs. We ensure robust knowledge distillation by integrating the spatio-temporal information bottleneck with teacher-bounded regression loss, filtering out task-irrelevant noise and avoiding erroneous guidance. We further enhance the generalization ability of the student model by incorporating spatial and temporal prompts to provide downstream task contexts. Evaluation on three spatio-temporal datasets for urban computing tasks demonstrates that EasyST surpasses state-of-the-art approaches in terms of efficiency and accuracy. The implementation code is available at: https://github.com/HKUDS/EasyST.

URLs: https://github.com/HKUDS/EasyST.

new The Weak Form Is Stronger Than You Think

Authors: Daniel A. Messenger, April Tran, Vanja Dukic, David M. Bortz

Abstract: The weak form is a ubiquitous, well-studied, and widely-utilized mathematical tool in modern computational and applied mathematics. In this work we provide a survey of both the history and recent developments for several fields in which the weak form can play a critical role. In particular, we highlight several recent advances in weak form versions of equation learning, parameter estimation, and coarse graining, which offer surprising noise robustness, accuracy, and computational efficiency. We note that this manuscript is a companion piece to our October 2024 SIAM News article of the same name. Here we provide more detailed explanations of mathematical developments as well as a more complete list of references. Lastly, we note that the software with which to reproduce the results in this manuscript is also available on our group's GitHub website https://github.com/MathBioCU .

URLs: https://github.com/MathBioCU

new Scaling Law Hypothesis for Multimodal Model

Authors: Qingyun Sun, Zhen Guo

Abstract: We propose a scaling law hypothesis for multimodal models processing text, audio, images, and video within a shared token and embedding space. Our framework predicts model performance based on modality-specific compression and tokenization efficiency, extending established scaling laws from text-based decoder models to mixed-modality systems. We explore whether leveraging more training data in multiple modalities can reduce the size of the multimodal model, enabling efficient deployment on resource-constrained devices.

new Beyond designer's knowledge: Generating materials design hypotheses via large language models

Authors: Quanliang Liu, Maciej P. Polak, So Yeon Kim, MD Al Amin Shuvo, Hrishikesh Shridhar Deodhar, Jeongsoo Han, Dane Morgan, Hyunseok Oh

Abstract: Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when multidisciplinary expertise is required. This work demonstrates that large language models (LLMs), coupled with prompt engineering, can effectively generate non-trivial materials hypotheses by integrating scientific principles from diverse sources without explicit design guidance by human experts. These include design ideas for high-entropy alloys with superior cryogenic properties and halide solid electrolytes with enhanced ionic conductivity and formability. These design ideas have been experimentally validated in high-impact publications in 2023 not available in the LLM training data, demonstrating the LLM's ability to generate highly valuable and realizable innovative ideas not established in the literature. Our approach primarily leverages materials system charts encoding processing-structure-property relationships, enabling more effective data integration by condensing key information from numerous papers, and evaluation and categorization of numerous hypotheses for human cognition, both through the LLM. This LLM-driven approach opens the door to new avenues of artificial intelligence-driven materials discovery by accelerating design, democratizing innovation, and expanding capabilities beyond the designer's direct knowledge.

new Adaptive Meta-Domain Transfer Learning (AMDTL): A Novel Approach for Knowledge Transfer in AI

Authors: Michele Laurelli

Abstract: This paper presents Adaptive Meta-Domain Transfer Learning (AMDTL), a novel methodology that combines principles of meta-learning with domain-specific adaptations to enhance the transferability of artificial intelligence models across diverse and unknown domains. AMDTL aims to address the main challenges of transfer learning, such as domain misalignment, negative transfer, and catastrophic forgetting, through a hybrid framework that emphasizes both generalization and contextual specialization. The framework integrates a meta-learner trained on a diverse distribution of tasks, adversarial training techniques for aligning domain feature distributions, and dynamic feature regulation mechanisms based on contextual domain embeddings. Experimental results on benchmark datasets demonstrate that AMDTL outperforms existing transfer learning methodologies in terms of accuracy, adaptation efficiency, and robustness. This research provides a solid theoretical and practical foundation for the application of AMDTL in various fields, opening new perspectives for the development of more adaptable and inclusive AI systems.

new Personalized Federated Learning Techniques: Empirical Analysis

Authors: Azal Ahmad Khan, Ahmad Faraz Khan, Haider Ali, Ali Anwar

Abstract: Personalized Federated Learning (pFL) holds immense promise for tailoring machine learning models to individual users while preserving data privacy. However, achieving optimal performance in pFL often requires a careful balancing act between memory overhead costs and model accuracy. This paper delves into the trade-offs inherent in pFL, offering valuable insights for selecting the right algorithms for diverse real-world scenarios. We empirically evaluate ten prominent pFL techniques across various datasets and data splits, uncovering significant differences in their performance. Our study reveals interesting insights into how pFL methods that utilize personalized (local) aggregation exhibit the fastest convergence due to their efficiency in communication and computation. Conversely, fine-tuning methods face limitations in handling data heterogeneity and potential adversarial attacks while multi-objective learning methods achieve higher accuracy at the cost of additional training and resource consumption. Our study emphasizes the critical role of communication efficiency in scaling pFL, demonstrating how it can significantly affect resource usage in real-world deployments.

new Noisy Early Stopping for Noisy Labels

Authors: William Toner, Amos Storkey

Abstract: Training neural network classifiers on datasets contaminated with noisy labels significantly increases the risk of overfitting. Thus, effectively implementing Early Stopping in noisy label environments is crucial. Under ideal circumstances, Early Stopping utilises a validation set uncorrupted by label noise to effectively monitor generalisation during training. However, obtaining a noise-free validation dataset can be costly and challenging to obtain. This study establishes that, in many typical learning environments, a noise-free validation set is not necessary for effective Early Stopping. Instead, near-optimal results can be achieved by monitoring accuracy on a noisy dataset - drawn from the same distribution as the noisy training set. Referred to as `Noisy Early Stopping' (NES), this method simplifies and reduces the cost of implementing Early Stopping. We provide theoretical insights into the conditions under which this method is effective and empirically demonstrate its robust performance across standard benchmarks using common loss functions.

new Atom dimension adaptation for infinite set dictionary learning

Authors: Andra B\u{a}ltoiu, Denis C. Ilie-Ablachim, Bogdan Dumitrescu

Abstract: Recent work on dictionary learning with set-atoms has shown benefits in anomaly detection. Instead of viewing an atom as a single vector, these methods allow building sparse representations with atoms taken from a set around a central vector; the set can be a cone or may have a probability distribution associated to it. We propose a method for adaptively adjusting the size of set-atoms in Gaussian and cone dictionary learning. The purpose of the algorithm is to match the atom sizes with their contribution in representing the signals. The proposed algorithm not only decreases the representation error, but also improves anomaly detection, for a class of anomalies called `dependency'. We obtain better detection performance than state-of-the-art methods.

new Stratospheric aerosol source inversion: Noise, variability, and uncertainty quantification

Authors: J. Hart, I. Manickam, M. Gulian, L. Swiler, D. Bull, T. Ehrmann, H. Brown, B. Wagman, J. Watkins

Abstract: Stratospheric aerosols play an important role in the earth system and can affect the climate on timescales of months to years. However, estimating the characteristics of partially observed aerosol injections, such as those from volcanic eruptions, is fraught with uncertainties. This article presents a framework for stratospheric aerosol source inversion which accounts for background aerosol noise and earth system internal variability via a Bayesian approximation error approach. We leverage specially designed earth system model simulations using the Energy Exascale Earth System Model (E3SM). A comprehensive framework for data generation, data processing, dimension reduction, operator learning, and Bayesian inversion is presented where each component of the framework is designed to address particular challenges in stratospheric modeling on the global scale. We present numerical results using synthesized observational data to rigorously assess the ability of our approach to estimate aerosol sources and associate uncertainty with those estimates.

new Towards Understanding Human Emotional Fluctuations with Sparse Check-In Data

Authors: Sagar Paresh Shah, Ga Wu, Sean W. Kortschot, Samuel Daviau

Abstract: Data sparsity is a key challenge limiting the power of AI tools across various domains. The problem is especially pronounced in domains that require active user input rather than measurements derived from automated sensors. It is a critical barrier to harnessing the full potential of AI in domains requiring active user engagement, such as self-reported mood check-ins, where capturing a continuous picture of emotional states is essential. In this context, sparse data can hinder efforts to capture the nuances of individual emotional experiences such as causes, triggers, and contributing factors. Existing methods for addressing data scarcity often rely on heuristics or large established datasets, favoring deep learning models that lack adaptability to new domains. This paper proposes a novel probabilistic framework that integrates user-centric feedback-based learning, allowing for personalized predictions despite limited data. Achieving 60% accuracy in predicting user states among 64 options (chance of 1/64), this framework effectively mitigates data sparsity. It is versatile across various applications, bridging the gap between theoretical AI research and practical deployment.

new The Competition Complexity of Prophet Inequalities with Correlations

Authors: Tomer Ezra, Tamar Garbuz

Abstract: We initiate the study of the prophet inequality problem through the resource augmentation framework in scenarios when the values of the rewards are correlated. Our goal is to determine the number of additional rewards an online algorithm requires to approximate the maximum value of the original instance. While the independent reward case is well understood, we extend this research to account for correlations among rewards. Our results demonstrate that, unlike in the independent case, the required number of additional rewards for approximation depends on the number of original rewards, and that block-threshold algorithms, which are optimal in the independent case, may require an infinite number of additional rewards when correlations are present. We develop asymptotically optimal algorithms for the following three scenarios: (1) where rewards arrive in blocks corresponding to the different copies of the original instance; (2) where rewards across all copies are arbitrarily shuffled; and (3) where rewards arrive in blocks corresponding to the different copies of the original instance, and values within each block are pairwise independent rather than fully correlated.

new Semi-Supervised Reward Modeling via Iterative Self-Training

Authors: Yifei He, Haoxiang Wang, Ziyan Jiang, Alexandros Papangelis, Han Zhao

Abstract: Reward models (RM) capture the values and preferences of humans and play a central role in Reinforcement Learning with Human Feedback (RLHF) to align pretrained large language models (LLMs). Traditionally, training these models relies on extensive human-annotated preference data, which poses significant challenges in terms of scalability and cost. To overcome these limitations, we propose Semi-Supervised Reward Modeling (SSRM), an approach that enhances RM training using unlabeled data. Given an unlabeled dataset, SSRM involves three key iterative steps: pseudo-labeling unlabeled examples, selecting high-confidence examples through a confidence threshold, and supervised finetuning on the refined dataset. Across extensive experiments on various model configurations, we demonstrate that SSRM significantly improves reward models without incurring additional labeling costs. Notably, SSRM can achieve performance comparable to models trained entirely on labeled data of equivalent volumes. Overall, SSRM substantially reduces the dependency on large volumes of human-annotated data, thereby decreasing the overall cost and time involved in training effective reward models.

new Applied Federated Model Personalisation in the Industrial Domain: A Comparative Study

Authors: Ilias Siniosoglou, Vasileios Argyriou, George Fragulis, Panagiotis Fouliras, Georgios Th. Papadopoulos, Anastasios Lytos, Panagiotis Sarigiannidis

Abstract: The time-consuming nature of training and deploying complicated Machine and Deep Learning (DL) models for a variety of applications continues to pose significant challenges in the field of Machine Learning (ML). These challenges are particularly pronounced in the federated domain, where optimizing models for individual nodes poses significant difficulty. Many methods have been developed to tackle this problem, aiming to reduce training expenses and time while maintaining efficient optimisation. Three suggested strategies to tackle this challenge include Active Learning, Knowledge Distillation, and Local Memorization. These methods enable the adoption of smaller models that require fewer computational resources and allow for model personalization with local insights, thereby improving the effectiveness of current models. The present study delves into the fundamental principles of these three approaches and proposes an advanced Federated Learning System that utilises different Personalisation methods towards improving the accuracy of AI models and enhancing user experience in real-time NG-IoT applications, investigating the efficacy of these techniques in the local and federated domain. The results of the original and optimised models are then compared in both local and federated contexts using a comparison analysis. The post-analysis shows encouraging outcomes when it comes to optimising and personalising the models with the suggested techniques.

new Representation Tuning

Authors: Christopher M. Ackerman

Abstract: Activation engineering is becoming increasingly popular as a means of online control of large language models (LLMs). In this work, I extend the idea of active steering with vectors that represent a behavioral direction of interest to tuning those vectors directly into the model, obviating the need for online control. First, I identify activation vectors related to honesty in an open-source LLM (Llama- 2-13b-chat). Next, I demonstrate that model output can be made more or less honest by adding positive or negative multiples of these vectors to residual stream activations during generation. Then, I show that a similar effect can be achieved by fine-tuning the vectors directly into the model, by use of a dual loss function based on the cosine similarity of residual stream activations to the vectors combined with a standard token-based loss ("representation tuning"). Finally, I compare the generations in response to honesty-probing prompts from the resulting models to those from models fine-tuned with a token-based loss alone, and to those from the untuned model subjected to online steering. Overall, fine-tuning the vectors into the models using the cosine similarity plus token loss showed a stronger effect than online steering, and generalized better than using the standard loss, suggesting the potential utility of this approach as a safety measure. Code and data are available at https://github.com/cma1114/representation_tuning; tuned models are available at https://huggingface.co/collections/cackerman/ representation-tuning-66da1e5ab41cd1b824687d9f.

URLs: https://github.com/cma1114/representation_tuning;, https://huggingface.co/collections/cackerman/

new Neural Algorithmic Reasoning with Multiple Correct Solutions

Authors: Zeno Kujawa, John Poole, Dobrik Georgiev, Danilo Numeroso, Pietro Li\`o

Abstract: Neural Algorithmic Reasoning (NAR) aims to optimize classical algorithms. However, canonical implementations of NAR train neural networks to return only a single solution, even when there are multiple correct solutions to a problem, such as single-source shortest paths. For some applications, it is desirable to recover more than one correct solution. To that end, we give the first method for NAR with multiple solutions. We demonstrate our method on two classical algorithms: Bellman-Ford (BF) and Depth-First Search (DFS), favouring deeper insight into two algorithms over a broader survey of algorithms. This method involves generating appropriate training data as well as sampling and validating solutions from model output. Each step of our method, which can serve as a framework for neural algorithmic reasoning beyond the tasks presented in this paper, might be of independent interest to the field and our results represent the first attempt at this task in the NAR literature.

new Privacy-Preserving Federated Learning with Consistency via Knowledge Distillation Using Conditional Generator

Authors: Kangyang Luo, Shuai Wang, Xiang Li, Yunshi Lan, Ming Gao, Jinlong Shu

Abstract: Federated Learning (FL) is gaining popularity as a distributed learning framework that only shares model parameters or gradient updates and keeps private data locally. However, FL is at risk of privacy leakage caused by privacy inference attacks. And most existing privacy-preserving mechanisms in FL conflict with achieving high performance and efficiency. Therefore, we propose FedMD-CG, a novel FL method with highly competitive performance and high-level privacy preservation, which decouples each client's local model into a feature extractor and a classifier, and utilizes a conditional generator instead of the feature extractor to perform server-side model aggregation. To ensure the consistency of local generators and classifiers, FedMD-CG leverages knowledge distillation to train local models and generators at both the latent feature level and the logit level. Also, we construct additional classification losses and design new diversity losses to enhance client-side training. FedMD-CG is robust to data heterogeneity and does not require training extra discriminators (like cGAN). We conduct extensive experiments on various image classification tasks to validate the superiority of FedMD-CG.

new Policy Filtration in RLHF to Fine-Tune LLM for Code Generation

Authors: Wei Shen, Chuheng Zhang

Abstract: Reinforcement learning from human feedback (RLHF) is one of the key techniques that helps large language models (LLMs) to follow instructions and provide helpful and harmless responses. While direct policy optimization methods exist, state-of-the-art LLMs adopt RL-based methods (usually PPO) in RLHF to train the policy to generate good responses guided by a reward model learned from preference data. The main challenge of these methods is the inaccuracy of the intermediate reward model, especially in code generation tasks that require long and complex reasoning to score a response. We find that the reliability of the reward model varies across responses assigned with different rewards. This motivates us to filter the samples whose rewards may be unreliable to improve signal-to-noise ratio during policy learning, resulting in Policy Filtration for Proximal Policy Optimization (PF-PPO). To choose a proper policy filtration strategy for a given reward model, the coefficient of determination ($R^2$) between rewards and actual scores on filtered samples serves as a good metrics and helps us find several promising strategies. We provide extensive experiments to validate the effectiveness of PF-PPO in code generation tasks, and find that some variants of PF-PPO are highly effective and achieve new state-of-the-art performance across 7-billion-parameter models on HumanEval, MBPP, and a new and more challenging LeetCode Contest benchmark.

new Enhancing Cross-domain Pre-Trained Decision Transformers with Adaptive Attention

Authors: Wenhao Zhao, Qiushui Xu, Linjie Xu, Lei Song, Jinyu Wang, Chunlai Zhou, Jiang Bian

Abstract: Recently, the pre-training of decision transformers (DT) using a different domain, such as natural language text, has generated significant attention in offline reinforcement learning (Offline RL). Although this cross-domain pre-training approach achieves superior performance compared to training from scratch in environments required short-term planning ability, the mechanisms by which pre-training benefits the fine-tuning phase remain unclear. Furthermore, we point out that the cross-domain pre-training approach hinders the extraction of distant information in environments like PointMaze that require long-term planning ability, leading to performance that is much worse than training DT from scratch. This work first analyzes these issues and found that Markov Matrix, a component that exists in pre-trained attention heads, is the key to explain the significant performance disparity of pre-trained models in different planning abilities. Inspired by our analysis, we propose a general method GPT-DTMA, which equips a pre-trained DT with Mixture of Attention (MoA), to enable adaptive learning and accommodating diverse attention requirements during fine-tuning. Extensive experiments demonstrate that the effectiveness of GPT-DTMA: it achieves superior performance in short-term environments compared to baselines, and in long-term environments, it mitigates the negative impact caused by Markov Matrix, achieving results comparable to those of DT trained from scratch.

new What is the Right Notion of Distance between Predict-then-Optimize Tasks?

Authors: Paula Rodriguez-Diaz, Lingkai Kong, Kai Wang, David Alvarez-Melis, Milind Tambe

Abstract: Comparing datasets is a fundamental task in machine learning, essential for various learning paradigms; from evaluating train and test datasets for model generalization to using dataset similarity for detecting data drift. While traditional notions of dataset distances offer principled measures of similarity, their utility has largely been assessed through prediction error minimization. However, in Predict-then-Optimize (PtO) frameworks, where predictions serve as inputs for downstream optimization tasks, model performance is measured through decision regret minimization rather than prediction error minimization. In this work, we (i) show that traditional dataset distances, which rely solely on feature and label dimensions, lack informativeness in the PtO context, and (ii) propose a new dataset distance that incorporates the impacts of downstream decisions. Our results show that this decision-aware dataset distance effectively captures adaptation success in PtO contexts, providing a PtO adaptation bound in terms of dataset distance. Empirically, we show that our proposed distance measure accurately predicts transferability across three different PtO tasks from the literature.

new Learning Personalized Scoping for Graph Neural Networks under Heterophily

Authors: Gangda Deng, Hongkuan Zhou, Rajgopal Kannan, Viktor Prasanna

Abstract: Heterophilous graphs, where dissimilar nodes tend to connect, pose a challenge for graph neural networks (GNNs) as their superior performance typically comes from aggregating homophilous information. Increasing the GNN depth can expand the scope (i.e., receptive field), potentially finding homophily from the higher-order neighborhoods. However, uniformly expanding the scope results in subpar performance since real-world graphs often exhibit homophily disparity between nodes. An ideal way is personalized scopes, allowing nodes to have varying scope sizes. Existing methods typically add node-adaptive weights for each hop. Although expressive, they inevitably suffer from severe overfitting. To address this issue, we formalize personalized scoping as a separate scope classification problem that overcomes GNN overfitting in node classification. Specifically, we predict the optimal GNN depth for each node. Our theoretical and empirical analysis suggests that accurately predicting the depth can significantly enhance generalization. We further propose Adaptive Scope (AS), a lightweight MLP-based approach that only participates in GNN inference. AS encodes structural patterns and predicts the depth to select the best model for each node's prediction. Experimental results show that AS is highly flexible with various GNN architectures across a wide range of datasets while significantly improving accuracy.

new CPSample: Classifier Protected Sampling for Guarding Training Data During Diffusion

Authors: Joshua Kazdan, Hao Sun, Jiaqi Han, Felix Petersen, Stefano Ermon

Abstract: Diffusion models have a tendency to exactly replicate their training data, especially when trained on small datasets. Most prior work has sought to mitigate this problem by imposing differential privacy constraints or masking parts of the training data, resulting in a notable substantial decrease in image quality. We present CPSample, a method that modifies the sampling process to prevent training data replication while preserving image quality. CPSample utilizes a classifier that is trained to overfit on random binary labels attached to the training data. CPSample then uses classifier guidance to steer the generation process away from the set of points that can be classified with high certainty, a set that includes the training data. CPSample achieves FID scores of 4.97 and 2.97 on CIFAR-10 and CelebA-64, respectively, without producing exact replicates of the training data. Unlike prior methods intended to guard the training images, CPSample only requires training a classifier rather than retraining a diffusion model, which is computationally cheaper. Moreover, our technique provides diffusion models with greater robustness against membership inference attacks, wherein an adversary attempts to discern which images were in the model's training dataset. We show that CPSample behaves like a built-in rejection sampler, and we demonstrate its capabilities to prevent mode collapse in Stable Diffusion.

new Dynamic Error-Bounded Hierarchical Matrices in Neural Network Compression

Authors: John Mango, Ronald Katende

Abstract: This paper presents an innovative framework that integrates hierarchical matrix (H-matrix) compression techniques into the structure and training of Physics-Informed Neural Networks (PINNs). By leveraging the low-rank properties of matrix sub-blocks, the proposed dynamic, error-bounded H-matrix compression method significantly reduces computational complexity and storage requirements without compromising accuracy. This approach is rigorously compared to traditional compression techniques, such as Singular Value Decomposition (SVD), pruning, and quantization, demonstrating superior performance, particularly in maintaining the Neural Tangent Kernel (NTK) properties critical for the stability and convergence of neural networks. The findings reveal that H-matrix compression not only enhances training efficiency but also ensures the scalability and robustness of PINNs for complex, large-scale applications in physics-based modeling. This work offers a substantial contribution to the optimization of deep learning models, paving the way for more efficient and practical implementations of PINNs in real-world scenarios.

new TrialSynth: Generation of Synthetic Sequential Clinical Trial Data

Authors: Chufan Gao, Mandis Beigi, Afrah Shafquat, Jacob Aptekar, Jimeng Sun

Abstract: Analyzing data from past clinical trials is part of the ongoing effort to optimize the design, implementation, and execution of new clinical trials and more efficiently bring life-saving interventions to market. While there have been recent advances in the generation of static context synthetic clinical trial data, due to both limited patient availability and constraints imposed by patient privacy needs, the generation of fine-grained synthetic time-sequential clinical trial data has been challenging. Given that patient trajectories over an entire clinical trial are of high importance for optimizing trial design and efforts to prevent harmful adverse events, there is a significant need for the generation of high-fidelity time-sequence clinical trial data. Here we introduce TrialSynth, a Variational Autoencoder (VAE) designed to address the specific challenges of generating synthetic time-sequence clinical trial data. Distinct from related clinical data VAE methods, the core of our method leverages Hawkes Processes (HP), which are particularly well-suited for modeling event-type and time gap prediction needed to capture the structure of sequential clinical trial data. Our experiments demonstrate that TrialSynth surpasses the performance of other comparable methods that can generate sequential clinical trial data, in terms of both fidelity and in enabling the generation of highly accurate event sequences across multiple real-world sequential event datasets with small patient source populations when using minimal external information. Notably, our empirical findings highlight that TrialSynth not only outperforms existing clinical sequence-generating methods but also produces data with superior utility while empirically preserving patient privacy.

new Advancing On-Device Neural Network Training with TinyPropv2: Dynamic, Sparse, and Efficient Backpropagation

Authors: Marcus R\"ub, Axel Sikora, Daniel Mueller-Gritschneder

Abstract: This study introduces TinyPropv2, an innovative algorithm optimized for on-device learning in deep neural networks, specifically designed for low-power microcontroller units. TinyPropv2 refines sparse backpropagation by dynamically adjusting the level of sparsity, including the ability to selectively skip training steps. This feature significantly lowers computational effort without substantially compromising accuracy. Our comprehensive evaluation across diverse datasets CIFAR 10, CIFAR100, Flower, Food, Speech Command, MNIST, HAR, and DCASE2020 reveals that TinyPropv2 achieves near-parity with full training methods, with an average accuracy drop of only around 1 percent in most cases. For instance, against full training, TinyPropv2's accuracy drop is minimal, for example, only 0.82 percent on CIFAR 10 and 1.07 percent on CIFAR100. In terms of computational effort, TinyPropv2 shows a marked reduction, requiring as little as 10 percent of the computational effort needed for full training in some scenarios, and consistently outperforms other sparse training methodologies. These findings underscore TinyPropv2's capacity to efficiently manage computational resources while maintaining high accuracy, positioning it as an advantageous solution for advanced embedded device applications in the IoT ecosystem.

new A Continual and Incremental Learning Approach for TinyML On-device Training Using Dataset Distillation and Model Size Adaption

Authors: Marcus R\"ub, Philipp Tuchel, Axel Sikora, Daniel Mueller-Gritschneder

Abstract: A new algorithm for incremental learning in the context of Tiny Machine learning (TinyML) is presented, which is optimized for low-performance and energy efficient embedded devices. TinyML is an emerging field that deploys machine learning models on resource-constrained devices such as microcontrollers, enabling intelligent applications like voice recognition, anomaly detection, predictive maintenance, and sensor data processing in environments where traditional machine learning models are not feasible. The algorithm solve the challenge of catastrophic forgetting through the use of knowledge distillation to create a small, distilled dataset. The novelty of the method is that the size of the model can be adjusted dynamically, so that the complexity of the model can be adapted to the requirements of the task. This offers a solution for incremental learning in resource-constrained environments, where both model size and computational efficiency are critical factors. Results show that the proposed algorithm offers a promising approach for TinyML incremental learning on embedded devices. The algorithm was tested on five datasets including: CIFAR10, MNIST, CORE50, HAR, Speech Commands. The findings indicated that, despite using only 43% of Floating Point Operations (FLOPs) compared to a larger fixed model, the algorithm experienced a negligible accuracy loss of just 1%. In addition, the presented method is memory efficient. While state-of-the-art incremental learning is usually very memory intensive, the method requires only 1% of the original data set.

new LLM-based feature generation from text for interpretable machine learning

Authors: Vojt\v{e}ch Balek, Luk\'a\v{s} S\'ykora, Vil\'em Sklen\'ak, Tom\'a\v{s} Kliegr

Abstract: Existing text representations such as embeddings and bag-of-words are not suitable for rule learning due to their high dimensionality and absent or questionable feature-level interpretability. This article explores whether large language models (LLMs) could address this by extracting a small number of interpretable features from text. We demonstrate this process on two datasets (CORD-19 and M17+) containing several thousand scientific articles from multiple disciplines and a target being a proxy for research impact. An evaluation based on testing for the statistically significant correlation with research impact has shown that LLama 2-generated features are semantically meaningful. We consequently used these generated features in text classification to predict the binary target variable representing the citation rate for the CORD-19 dataset and the ordinal 5-class target representing an expert-awarded grade in the M17+ dataset. Machine-learning models trained on the LLM-generated features provided similar predictive performance to the state-of-the-art embedding model SciBERT for scientific text. The LLM used only 62 features compared to 768 features in SciBERT embeddings, and these features were directly interpretable, corresponding to notions such as article methodological rigor, novelty, or grammatical correctness. As the final step, we extract a small number of well-interpretable action rules. Consistently competitive results obtained with the same LLM feature set across both thematically diverse datasets show that this approach generalizes across domains.

new Unsupervised Novelty Detection Methods Benchmarking with Wavelet Decomposition

Authors: Ariel Priarone, Umberto Albertin, Carlo Cena, Mauro Martini, Marcello Chiaberge

Abstract: Novelty detection is a critical task in various engineering fields. Numerous approaches to novelty detection rely on supervised or semi-supervised learning, which requires labelled datasets for training. However, acquiring labelled data, when feasible, can be expensive and time-consuming. For these reasons, unsupervised learning is a powerful alternative that allows performing novelty detection without needing labelled samples. In this study, numerous unsupervised machine learning algorithms for novelty detection are compared, highlighting their strengths and weaknesses in the context of vibration sensing. The proposed framework uses a continuous metric, unlike most traditional methods that merely flag anomalous samples without quantifying the degree of anomaly. Moreover, a new dataset is gathered from an actuator vibrating at specific frequencies to benchmark the algorithms and evaluate the framework. Novel conditions are introduced by altering the input wave signal. Our findings offer valuable insights into the adaptability and robustness of unsupervised learning techniques for real-world novelty detection applications.

new Combined Optimization of Dynamics and Assimilation with End-to-End Learning on Sparse Observations

Authors: Vadim Zinchenko, David S. Greenberg

Abstract: Fitting nonlinear dynamical models to sparse and noisy observations is fundamentally challenging. Identifying dynamics requires data assimilation (DA) to estimate system states, but DA requires an accurate dynamical model. To break this deadlock we present CODA, an end-to-end optimization scheme for jointly learning dynamics and DA directly from sparse and noisy observations. A neural network is trained to carry out data accurate, efficient and parallel-in-time DA, while free parameters of the dynamical system are simultaneously optimized. We carry out end-to-end learning directly on observation data, introducing a novel learning objective that combines unrolled auto-regressive dynamics with the data- and self-consistency terms of weak-constraint 4Dvar DA. By taking into account interactions between new and existing simulation components over multiple time steps, CODA can recover initial conditions, fit unknown dynamical parameters and learn neural network-based PDE terms to match both available observations and self-consistency constraints. In addition to facilitating end-to-end learning of dynamics and providing fast, amortized, non-sequential DA, CODA provides greater robustness to model misspecification than classical DA approaches.

new Recurrent Aggregators in Neural Algorithmic Reasoning

Authors: Kaijia Xu, Petar Veli\v{c}kovi\'c

Abstract: Neural algorithmic reasoning (NAR) is an emerging field that seeks to design neural networks that mimic classical algorithmic computations. Today, graph neural networks (GNNs) are widely used in neural algorithmic reasoners due to their message passing framework and permutation equivariance. In this extended abstract, we challenge this design choice, and replace the equivariant aggregation function with a recurrent neural network. While seemingly counter-intuitive, this approach has appropriate grounding when nodes have a natural ordering -- and this is the case frequently in established reasoning benchmarks like CLRS-30. Indeed, our recurrent NAR (RNAR) model performs very strongly on such tasks, while handling many others gracefully. A notable achievement of RNAR is its decisive state-of-the-art result on the Heapsort and Quickselect tasks, both deemed as a significant challenge for contemporary neural algorithmic reasoners -- especially the latter, where RNAR achieves a mean micro-F1 score of 87%.

new A Perspective on AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems

Authors: Mohamed Dhouioui, Jonathan Barnoud, Rhoslyn Roebuck Williams, Harry J. Stroud, Phil Bates, David R. Glowacki

Abstract: Molecular dynamics simulations are a crucial computational tool for researchers to understand and engineer molecular structure and function in areas such as drug discovery, protein engineering, and material design. Despite their utility, MD simulations are expensive, owing to the high dimensionality of molecular systems. Interactive molecular dynamics in virtual reality (iMD-VR) has recently been developed as a 'human-in-the-loop' strategy, which leverages high-performance computing to accelerate the researcher's ability to solve the hyperdimensional sampling problem. By providing an immersive 3D environment that enables visualization and manipulation of real-time molecular motion, iMD-VR enables researchers and students to efficiently and intuitively explore and navigate these complex, high-dimensional systems. iMD-VR platforms offer a unique opportunity to quickly generate rich datasets that capture human experts' spatial insight regarding molecular structure and function. This paper explores the possibility of employing user-generated iMD-VR datasets to train AI agents via imitation learning (IL). IL is an important technique in robotics that enables agents to mimic complex behaviors from expert demonstrations, thus circumventing the need for explicit programming or intricate reward design. We review the utilization of IL for manipulation tasks in robotics and discuss how iMD-VR recordings could be used to train IL models for solving specific molecular 'tasks'. We then investigate how such approaches could be applied to the data captured from iMD-VR recordings. Finally, we outline the future research directions and potential challenges of using AI agents to augment human expertise to efficiently navigate conformational spaces, highlighting how this approach could provide valuable insight across domains such as materials science, protein engineering, and computer-aided drug design.

new Applying Multi-Fidelity Bayesian Optimization in Chemistry: Open Challenges and Major Considerations

Authors: Edmund Judge, Mohammed Azzouzi, Austin M. Mroz, Antonio del Rio Chanona, Kim E. Jelfs

Abstract: Multi fidelity Bayesian optimization (MFBO) leverages experimental and or computational data of varying quality and resource cost to optimize towards desired maxima cost effectively. This approach is particularly attractive for chemical discovery due to MFBO's ability to integrate diverse data sources. Here, we investigate the application of MFBO to accelerate the identification of promising molecules or materials. We specifically analyze the conditions under which lower fidelity data can enhance performance compared to single-fidelity problem formulations. We address two key challenges, selecting the optimal acquisition function, understanding the impact of cost, and data fidelity correlation. We then discuss how to assess the effectiveness of MFBO for chemical discovery.

new Heterogeneity-Aware Coordination for Federated Learning via Stitching Pre-trained blocks

Authors: Shichen Zhan, Yebo Wu, Chunlin Tian, Yan Zhao, Li Li

Abstract: Federated learning (FL) coordinates multiple devices to collaboratively train a shared model while preserving data privacy. However, large memory footprint and high energy consumption during the training process excludes the low-end devices from contributing to the global model with their own data, which severely deteriorates the model performance in real-world scenarios. In this paper, we propose FedStitch, a hierarchical coordination framework for heterogeneous federated learning with pre-trained blocks. Unlike the traditional approaches that train the global model from scratch, for a new task, FedStitch composes the global model via stitching pre-trained blocks. Specifically, each participating client selects the most suitable block based on their local data from the candidate pool composed of blocks from pre-trained models. The server then aggregates the optimal block for stitching. This process iterates until a new stitched network is generated. Except for the new training paradigm, FedStitch consists of the following three core components: 1) an RL-weighted aggregator, 2) a search space optimizer deployed on the server side, and 3) a local energy optimizer deployed on each participating client. The RL-weighted aggregator helps to select the right block in the non-IID scenario, while the search space optimizer continuously reduces the size of the candidate block pool during stitching. Meanwhile, the local energy optimizer is designed to minimize energy consumption of each client while guaranteeing the overall training progress. The results demonstrate that compared to existing approaches, FedStitch improves the model accuracy up to 20.93%. At the same time, it achieves up to 8.12% speedup, reduces the memory footprint up to 79.5%, and achieves 89.41% energy saving at most during the learning procedure.

new Online Graph Filtering Over Expanding Graphs

Authors: Bishwadeep Das, Elvin Isufi

Abstract: Graph filters are a staple tool for processing signals over graphs in a multitude of downstream tasks. However, they are commonly designed for graphs with a fixed number of nodes, despite real-world networks typically grow over time. This topological evolution is often known up to a stochastic model, thus, making conventional graph filters ill-equipped to withstand such topological changes, their uncertainty, as well as the dynamic nature of the incoming data. To tackle these issues, we propose an online graph filtering framework by relying on online learning principles. We design filters for scenarios where the topology is both known and unknown, including a learner adaptive to such evolution. We conduct a regret analysis to highlight the role played by the different components such as the online algorithm, the filter order, and the growing graph model. Numerical experiments with synthetic and real data corroborate the proposed approach for graph signal inference tasks and show a competitive performance w.r.t. baselines and state-of-the-art alternatives.

new Riemannian Federated Learning via Averaging Gradient Stream

Authors: Zhenwei Huang, Wen Huang, Pratik Jawanpuria, Bamdev Mishra

Abstract: In recent years, federated learning has garnered significant attention as an efficient and privacy-preserving distributed learning paradigm. In the Euclidean setting, Federated Averaging (FedAvg) and its variants are a class of efficient algorithms for expected (empirical) risk minimization. This paper develops and analyzes a Riemannian Federated Averaging Gradient Stream (RFedAGS) algorithm, which is a generalization of FedAvg, to problems defined on a Riemannian manifold. Under standard assumptions, the convergence rate of RFedAGS with fixed step sizes is proven to be sublinear for an approximate stationary solution. If decaying step sizes are used, the global convergence is established. Furthermore, assuming that the objective obeys the Riemannian Polyak-{\L}ojasiewicz property, the optimal gaps generated by RFedAGS with fixed step size are linearly decreasing up to a tiny upper bound, meanwhile, if decaying step sizes are used, then the gaps sublinearly vanish. Numerical simulations conducted on synthetic and real-world data demonstrate the performance of the proposed RFedAGS.

new Alignment of Diffusion Models: Fundamentals, Challenges, and Future

Authors: Buhua Liu, Shitong Shao, Bao Li, Lichen Bai, Haoyi Xiong, James Kwok, Sumi Helal, Zeke Xie

Abstract: Diffusion models have emerged as the leading paradigm in generative modeling, excelling in various applications. Despite their success, these models often misalign with human intentions, generating outputs that may not match text prompts or possess desired properties. Inspired by the success of alignment in tuning large language models, recent studies have investigated aligning diffusion models with human expectations and preferences. This work mainly reviews alignment of diffusion models, covering advancements in fundamentals of alignment, alignment techniques of diffusion models, preference benchmarks, and evaluation for diffusion models. Moreover, we discuss key perspectives on current challenges and promising future directions on solving the remaining challenges in alignment of diffusion models. To the best of our knowledge, our work is the first comprehensive review paper for researchers and engineers to comprehend, practice, and research alignment of diffusion models.

new Multi-Type Preference Learning: Empowering Preference-Based Reinforcement Learning with Equal Preferences

Authors: Ziang Liu, Junjie Xu, Xingjiao Wu, Jing Yang, Liang He

Abstract: Preference-Based reinforcement learning (PBRL) learns directly from the preferences of human teachers regarding agent behaviors without needing meticulously designed reward functions. However, existing PBRL methods often learn primarily from explicit preferences, neglecting the possibility that teachers may choose equal preferences. This neglect may hinder the understanding of the agent regarding the task perspective of the teacher, leading to the loss of important information. To address this issue, we introduce the Equal Preference Learning Task, which optimizes the neural network by promoting similar reward predictions when the behaviors of two agents are labeled as equal preferences. Building on this task, we propose a novel PBRL method, Multi-Type Preference Learning (MTPL), which allows simultaneous learning from equal preferences while leveraging existing methods for learning from explicit preferences. To validate our approach, we design experiments applying MTPL to four existing state-of-the-art baselines across ten locomotion and robotic manipulation tasks in the DeepMind Control Suite. The experimental results indicate that simultaneous learning from both equal and explicit preferences enables the PBRL method to more comprehensively understand the feedback from teachers, thereby enhancing feedback efficiency.

new Tuning-Free Online Robust Principal Component Analysis through Implicit Regularization

Authors: Lakshmi Jayalal, Gokularam Muthukrishnan, Sheetal Kalyani

Abstract: The performance of the standard Online Robust Principal Component Analysis (OR-PCA) technique depends on the optimum tuning of the explicit regularizers and this tuning is dataset sensitive. We aim to remove the dependency on these tuning parameters by using implicit regularization. We propose to use the implicit regularization effect of various modified gradient descents to make OR-PCA tuning free. Our method incorporates three different versions of modified gradient descent that separately but naturally encourage sparsity and low-rank structures in the data. The proposed method performs comparable or better than the tuned OR-PCA for both simulated and real-world datasets. Tuning-free ORPCA makes it more scalable for large datasets since we do not require dataset-dependent parameter tuning.

new Exploring User-level Gradient Inversion with a Diffusion Prior

Authors: Zhuohang Li, Andrew Lowy, Jing Liu, Toshiaki Koike-Akino, Bradley Malin, Kieran Parsons, Ye Wang

Abstract: We explore user-level gradient inversion as a new attack surface in distributed learning. We first investigate existing attacks on their ability to make inferences about private information beyond training data reconstruction. Motivated by the low reconstruction quality of existing methods, we propose a novel gradient inversion attack that applies a denoising diffusion model as a strong image prior in order to enhance recovery in the large batch setting. Unlike traditional attacks, which aim to reconstruct individual samples and suffer at large batch and image sizes, our approach instead aims to recover a representative image that captures the sensitive shared semantic information corresponding to the underlying user. Our experiments with face images demonstrate the ability of our methods to recover realistic facial images along with private user attributes.

new A Unified Contrastive Loss for Self-Training

Authors: Aurelien Gauffre, Julien Horvat, Massih-Reza Amini

Abstract: Self-training methods have proven to be effective in exploiting abundant unlabeled data in semi-supervised learning, particularly when labeled data is scarce. While many of these approaches rely on a cross-entropy loss function (CE), recent advances have shown that the supervised contrastive loss function (SupCon) can be more effective. Additionally, unsupervised contrastive learning approaches have also been shown to capture high quality data representations in the unsupervised setting. To benefit from these advantages in a semi-supervised setting, we propose a general framework to enhance self-training methods, which replaces all instances of CE losses with a unique contrastive loss. By using class prototypes, which are a set of class-wise trainable parameters, we recover the probability distributions of the CE setting and show a theoretical equivalence with it. Our framework, when applied to popular self-training methods, results in significant performance improvements across three different datasets with a limited number of labeled data. Additionally, we demonstrate further improvements in convergence speed, transfer ability, and hyperparameter stability. The code is available at \url{https://github.com/AurelienGauffre/semisupcon/}.

URLs: https://github.com/AurelienGauffre/semisupcon/

new Non-Invasive Glucose Prediction System Enhanced by Mixed Linear Models and Meta-Forests for Domain Generalization

Authors: Yuyang Sun, Panagiotis Kosmas

Abstract: In this study, we present a non-invasive glucose prediction system that integrates Near-Infrared (NIR) spectroscopy and millimeter-wave (mm-wave) sensing. We employ a Mixed Linear Model (MixedLM) to analyze the association between mm-wave frequency S_21 parameters and blood glucose levels within a heterogeneous dataset. The MixedLM method considers inter-subject variability and integrates multiple predictors, offering a more comprehensive analysis than traditional correlation analysis. Additionally, we incorporate a Domain Generalization (DG) model, Meta-forests, to effectively handle domain variance in the dataset, enhancing the model's adaptability to individual differences. Our results demonstrate promising accuracy in glucose prediction for unseen subjects, with a mean absolute error (MAE) of 17.47 mg/dL, a root mean square error (RMSE) of 31.83 mg/dL, and a mean absolute percentage error (MAPE) of 10.88%, highlighting its potential for clinical application. This study marks a significant step towards developing accurate, personalized, and non-invasive glucose monitoring systems, contributing to improved diabetes management.

new Optimizing Neural Network Performance and Interpretability with Diophantine Equation Encoding

Authors: Ronald Katende

Abstract: This paper explores the integration of Diophantine equations into neural network (NN) architectures to improve model interpretability, stability, and efficiency. By encoding and decoding neural network parameters as integer solutions to Diophantine equations, we introduce a novel approach that enhances both the precision and robustness of deep learning models. Our method integrates a custom loss function that enforces Diophantine constraints during training, leading to better generalization, reduced error bounds, and enhanced resilience against adversarial attacks. We demonstrate the efficacy of this approach through several tasks, including image classification and natural language processing, where improvements in accuracy, convergence, and robustness are observed. This study offers a new perspective on combining mathematical theory and machine learning to create more interpretable and efficient models.

new Three-Dimensional, Multimodal Synchrotron Data for Machine Learning Applications

Authors: Calum Green, Sharif Ahmed, Shashidhara Marathe, Liam Perera, Alberto Leonardi, Killian Gmyrek, Daniele Dini, James Le Houx

Abstract: Machine learning techniques are being increasingly applied in medical and physical sciences across a variety of imaging modalities; however, an important issue when developing these tools is the availability of good quality training data. Here we present a unique, multimodal synchrotron dataset of a bespoke zinc-doped Zeolite 13X sample that can be used to develop advanced deep learning and data fusion pipelines. Multi-resolution micro X-ray computed tomography was performed on a zinc-doped Zeolite 13X fragment to characterise its pores and features, before spatially resolved X-ray diffraction computed tomography was carried out to characterise the homogeneous distribution of sodium and zinc phases. Zinc absorption was controlled to create a simple, spatially isolated, two-phase material. Both raw and processed data is available as a series of Zenodo entries. Altogether we present a spatially resolved, three-dimensional, multimodal, multi-resolution dataset that can be used for the development of machine learning techniques. Such techniques include development of super-resolution, multimodal data fusion, and 3D reconstruction algorithm development.

new Efficient and Unbiased Sampling of Boltzmann Distributions via Consistency Models

Authors: Fengzhe Zhang, Jiajun He, Laurence I. Midgley, Javier Antor\'an, Jos\'e Miguel Hern\'andez-Lobato

Abstract: Diffusion models have shown promising potential for advancing Boltzmann Generators. However, two critical challenges persist: (1) inherent errors in samples due to model imperfections, and (2) the requirement of hundreds of functional evaluations (NFEs) to achieve high-quality samples. While existing solutions like importance sampling and distillation address these issues separately, they are often incompatible, as most distillation models lack the necessary density information for importance sampling. This paper introduces a novel sampling method that effectively combines Consistency Models (CMs) with importance sampling. We evaluate our approach on both synthetic energy functions and equivariant n-body particle systems. Our method produces unbiased samples using only 6-25 NFEs while achieving a comparable Effective Sample Size (ESS) to Denoising Diffusion Probabilistic Models (DDPMs) that require approximately 100 NFEs.

new Online Decision MetaMorphFormer: A Casual Transformer-Based Reinforcement Learning Framework of Universal Embodied Intelligence

Authors: Luo Ji, Runji Lin

Abstract: Interactive artificial intelligence in the motion control field is an interesting topic, especially when universal knowledge is adaptive to multiple tasks and universal environments. Despite there being increasing efforts in the field of Reinforcement Learning (RL) with the aid of transformers, most of them might be limited by the offline training pipeline, which prohibits exploration and generalization abilities. To address this limitation, we propose the framework of Online Decision MetaMorphFormer (ODM) which aims to achieve self-awareness, environment recognition, and action planning through a unified model architecture. Motivated by cognitive and behavioral psychology, an ODM agent is able to learn from others, recognize the world, and practice itself based on its own experience. ODM can also be applied to any arbitrary agent with a multi-joint body, located in different environments, and trained with different types of tasks using large-scale pre-trained datasets. Through the use of pre-trained datasets, ODM can quickly warm up and learn the necessary knowledge to perform the desired task, while the target environment continues to reinforce the universal policy. Extensive online experiments as well as few-shot and zero-shot environmental tests are used to verify ODM's performance and generalization ability. The results of our study contribute to the study of general artificial intelligence in embodied and cognitive fields. Code, results, and video examples can be found on the website \url{https://rlodm.github.io/odm/}.

URLs: https://rlodm.github.io/odm/

new Federated Impression for Learning with Distributed Heterogeneous Data

Authors: Sana Ayromlou, Atrin Arya, Armin Saadat, Purang Abolmaesumi, Xiaoxiao Li

Abstract: Standard deep learning-based classification approaches may not always be practical in real-world clinical applications, as they require a centralized collection of all samples. Federated learning (FL) provides a paradigm that can learn from distributed datasets across clients without requiring them to share data, which can help mitigate privacy and data ownership issues. In FL, sub-optimal convergence caused by data heterogeneity is common among data from different health centers due to the variety in data collection protocols and patient demographics across centers. Through experimentation in this study, we show that data heterogeneity leads to the phenomenon of catastrophic forgetting during local training. We propose FedImpres which alleviates catastrophic forgetting by restoring synthetic data that represents the global information as federated impression. To achieve this, we distill the global model resulting from each communication round. Subsequently, we use the synthetic data alongside the local data to enhance the generalization of local training. Extensive experiments show that the proposed method achieves state-of-the-art performance on both the BloodMNIST and Retina datasets, which contain label imbalance and domain shift, with an improvement in classification accuracy of up to 20%.

new FIRAL: An Active Learning Algorithm for Multinomial Logistic Regression

Authors: Youguang Chen, George Biros

Abstract: We investigate theory and algorithms for pool-based active learning for multiclass classification using multinomial logistic regression. Using finite sample analysis, we prove that the Fisher Information Ratio (FIR) lower and upper bounds the excess risk. Based on our theoretical analysis, we propose an active learning algorithm that employs regret minimization to minimize the FIR. To verify our derived excess risk bounds, we conduct experiments on synthetic datasets. Furthermore, we compare FIRAL with five other methods and found that our scheme outperforms them: it consistently produces the smallest classification error in the multiclass logistic regression setting, as demonstrated through experiments on MNIST, CIFAR-10, and 50-class ImageNet.

new A Contrastive Symmetric Forward-Forward Algorithm (SFFA) for Continual Learning Tasks

Authors: Erik B. Terres-Escudero, Javier Del Ser, Pablo Garcia Bringas

Abstract: The so-called Forward-Forward Algorithm (FFA) has recently gained momentum as an alternative to the conventional back-propagation algorithm for neural network learning, yielding competitive performance across various modeling tasks. By replacing the backward pass of gradient back-propagation with two contrastive forward passes, the FFA avoids several shortcomings undergone by its predecessor (e.g., vanishing/exploding gradient) by enabling layer-wise training heuristics. In classification tasks, this contrastive method has been proven to effectively create a latent sparse representation of the input data, ultimately favoring discriminability. However, FFA exhibits an inherent asymmetric gradient behavior due to an imbalanced loss function between positive and negative data, adversely impacting on the model's generalization capabilities and leading to an accuracy degradation. To address this issue, this work proposes the Symmetric Forward-Forward Algorithm (SFFA), a novel modification of the original FFA which partitions each layer into positive and negative neurons. This allows the local fitness function to be defined as the ratio between the activation of positive neurons and the overall layer activity, resulting in a symmetric loss landscape during the training phase. To evaluate the enhanced convergence of our method, we conduct several experiments using multiple image classification benchmarks, comparing the accuracy of models trained with SFFA to those trained with its FFA counterpart. As a byproduct of this reformulation, we explore the advantages of using a layer-wise training algorithm for Continual Learning (CL) tasks. The specialization of neurons and the sparsity of their activations induced by layer-wise training algorithms enable efficient CL strategies that incorporate new knowledge (classes) into the neural network, while preventing catastrophic forgetting of previously...

new A Scalable Algorithm for Active Learning

Authors: Youguang Chen, Zheyu Wen, George Biros

Abstract: FIRAL is a recently proposed deterministic active learning algorithm for multiclass classification using logistic regression. It was shown to outperform the state-of-the-art in terms of accuracy and robustness and comes with theoretical performance guarantees. However, its scalability suffers when dealing with datasets featuring a large number of points $n$, dimensions $d$, and classes $c$, due to its $\mathcal{O}(c^2d^2+nc^2d)$ storage and $\mathcal{O}(c^3(nd^2 + bd^3 + bn))$ computational complexity where $b$ is the number of points to select in active learning. To address these challenges, we propose an approximate algorithm with storage requirements reduced to $\mathcal{O}(n(d+c) + cd^2)$ and a computational complexity of $\mathcal{O}(bncd^2)$. Additionally, we present a parallel implementation on GPUs. We demonstrate the accuracy and scalability of our approach using MNIST, CIFAR-10, Caltech101, and ImageNet. The accuracy tests reveal no deterioration in accuracy compared to FIRAL. We report strong and weak scaling tests on up to 12 GPUs, for three million point synthetic dataset.

new Convergence of continuous-time stochastic gradient descent with applications to linear deep neural networks

Authors: Gabor Lugosi, Eulalia Nualart

Abstract: We study a continuous-time approximation of the stochastic gradient descent process for minimizing the expected loss in learning problems. The main results establish general sufficient conditions for the convergence, extending the results of Chatterjee (2022) established for (nonstochastic) gradient descent. We show how the main result can be applied to the case of overparametrized linear neural network training.

new What to align in multimodal contrastive learning?

Authors: Benoit Dufumier, Javiera Castillo-Navarro, Devis Tuia, Jean-Philippe Thiran

Abstract: Humans perceive the world through multisensory integration, blending the information of different modalities to adapt their behavior. Contrastive learning offers an appealing solution for multimodal self-supervised learning. Indeed, by considering each modality as a different view of the same entity, it learns to align features of different modalities in a shared representation space. However, this approach is intrinsically limited as it only learns shared or redundant information between modalities, while multimodal interactions can arise in other ways. In this work, we introduce CoMM, a Contrastive MultiModal learning strategy that enables the communication between modalities in a single multimodal space. Instead of imposing cross- or intra- modality constraints, we propose to align multimodal representations by maximizing the mutual information between augmented versions of these multimodal features. Our theoretical analysis shows that shared, synergistic and unique terms of information naturally emerge from this formulation, allowing us to estimate multimodal interactions beyond redundancy. We test CoMM both in a controlled and in a series of real-world settings: in the former, we demonstrate that CoMM effectively captures redundant, unique and synergistic information between modalities. In the latter, CoMM learns complex multimodal interactions and achieves state-of-the-art results on the six multimodal benchmarks.

new Manifold Learning via Foliations and Knowledge Transfer

Authors: E. Tron, E. Fioresi

Abstract: Understanding how real data is distributed in high dimensional spaces is the key to many tasks in machine learning. We want to provide a natural geometric structure on the space of data employing a deep ReLU neural network trained as a classifier. Through the data information matrix (DIM), a variation of the Fisher information matrix, the model will discern a singular foliation structure on the space of data. We show that the singular points of such foliation are contained in a measure zero set, and that a local regular foliation exists almost everywhere. Experiments show that the data is correlated with leaves of such foliation. Moreover we show the potential of our approach for knowledge transfer by analyzing the spectrum of the DIM to measure distances between datasets.

new Synthetic continued pretraining

Authors: Zitong Yang, Neil Band, Shuangping Li, Emmanuel Cand\`es, Tatsunori Hashimoto

Abstract: Pretraining on large-scale, unstructured internet text has enabled language models to acquire a significant amount of world knowledge. However, this knowledge acquisition is data-inefficient -- to learn a given fact, models must be trained on hundreds to thousands of diverse representations of it. This poses a challenge when adapting a pretrained model to a small corpus of domain-specific documents, where each fact may appear rarely or only once. We propose to bridge this gap with synthetic continued pretraining: using the small domain-specific corpus to synthesize a large corpus more amenable to learning, and then performing continued pretraining on the synthesized corpus. We instantiate this proposal with EntiGraph, a synthetic data augmentation algorithm that extracts salient entities from the source documents and then generates diverse text by drawing connections between the sampled entities. Synthetic continued pretraining using EntiGraph enables a language model to answer questions and follow generic instructions related to the source documents without access to them. If instead, the source documents are available at inference time, we show that the knowledge acquired through our approach compounds with retrieval-augmented generation. To better understand these results, we build a simple mathematical model of EntiGraph, and show how synthetic data augmentation can "rearrange" knowledge to enable more data-efficient learning.

new Adaptive Adapter Routing for Long-Tailed Class-Incremental Learning

Authors: Zhi-Hong Qi, Da-Wei Zhou, Yiran Yao, Han-Jia Ye, De-Chuan Zhan

Abstract: In our ever-evolving world, new data exhibits a long-tailed distribution, such as e-commerce platform reviews. This necessitates continuous model learning imbalanced data without forgetting, addressing the challenge of long-tailed class-incremental learning (LTCIL). Existing methods often rely on retraining linear classifiers with former data, which is impractical in real-world settings. In this paper, we harness the potent representation capabilities of pre-trained models and introduce AdaPtive Adapter RouTing (APART) as an exemplar-free solution for LTCIL. To counteract forgetting, we train inserted adapters with frozen pre-trained weights for deeper adaptation and maintain a pool of adapters for selection during sequential model updates. Additionally, we present an auxiliary adapter pool designed for effective generalization, especially on minority classes. Adaptive instance routing across these pools captures crucial correlations, facilitating a comprehensive representation of all classes. Consequently, APART tackles the imbalance problem as well as catastrophic forgetting in a unified framework. Extensive benchmark experiments validate the effectiveness of APART. Code is available at: https://github.com/vita-qzh/APART

URLs: https://github.com/vita-qzh/APART

cross Bridging Autoencoders and Dynamic Mode Decomposition for Reduced-order Modeling and Control of PDEs

Authors: Priyabrata Saha, Saibal Mukhopadhyay

Abstract: Modeling and controlling complex spatiotemporal dynamical systems driven by partial differential equations (PDEs) often necessitate dimensionality reduction techniques to construct lower-order models for computational efficiency. This paper explores a deep autoencoding learning method for reduced-order modeling and control of dynamical systems governed by spatiotemporal PDEs. We first analytically show that an optimization objective for learning a linear autoencoding reduced-order model can be formulated to yield a solution closely resembling the result obtained through the dynamic mode decomposition with control algorithm. We then extend this linear autoencoding architecture to a deep autoencoding framework, enabling the development of a nonlinear reduced-order model. Furthermore, we leverage the learned reduced-order model to design controllers using stability-constrained deep neural networks. Numerical experiments are presented to validate the efficacy of our approach in both modeling and control using the example of a reaction-diffusion system.

cross Discovering Long-Term Effects on Parameter Efficient Fine-tuning

Authors: Gaole Dai, Yiming Tang, Chunkai Fan, Qizhe Zhang, Zhi Zhang, Yulu Gan, Chengqing Zeng, Shanghang Zhang, Tiejun Huang

Abstract: Pre-trained Artificial Neural Networks (ANNs) exhibit robust pattern recognition capabilities and share extensive similarities with the human brain, specifically Biological Neural Networks (BNNs). We are particularly intrigued by these models' ability to acquire new knowledge through fine-tuning. In this regard, Parameter-efficient Fine-tuning (PEFT) has gained widespread adoption as a substitute for full fine-tuning due to its cost reduction in training and mitigation of over-fitting risks by limiting the number of trainable parameters during adaptation. Since both ANNs and BNNs propagate information layer-by-layer, a common analogy can be drawn: weights in ANNs represent synapses in BNNs, while features (also known as latent variables or logits) in ANNs represent neurotransmitters released by neurons in BNNs. Mainstream PEFT methods aim to adjust feature or parameter values using only a limited number of trainable parameters (usually less than 1% of the total parameters), yet achieve surprisingly good results. Building upon this clue, we delve deeper into exploring the connections between feature adjustment and parameter adjustment, resulting in our proposed method Synapses & Neurons (SAN) that learns scaling matrices for features and propagates their effects towards posterior weight matrices. Our approach draws strong inspiration from well-known neuroscience phenomena - Long-term Potentiation (LTP) and Long-term Depression (LTD), which also reveal the relationship between synapse development and neurotransmitter release levels. We conducted extensive comparisons of PEFT on 26 datasets using attention-based networks as well as convolution-based networks, leading to significant improvements compared to other tuning methods (+8.5% over fully-finetune, +7% over Visual Prompt Tuning, and +3.2% over LoRA). The codes would be released.

cross Gating Syn-to-Real Knowledge for Pedestrian Crossing Prediction in Safe Driving

Authors: Jie Bai, Jianwu Fang, Yisheng Lv, Chen Lv, Jianru Xue, Zhengguo Li

Abstract: Pedestrian Crossing Prediction (PCP) in driving scenes plays a critical role in ensuring the safe operation of intelligent vehicles. Due to the limited observations of pedestrian crossing behaviors in typical situations, recent studies have begun to leverage synthetic data with flexible variation to boost prediction performance, employing domain adaptation frameworks. However, different domain knowledge has distinct cross-domain distribution gaps, which necessitates suitable domain knowledge adaption ways for PCP tasks. In this work, we propose a Gated Syn-to-Real Knowledge transfer approach for PCP (Gated-S2R-PCP), which has two aims: 1) designing the suitable domain adaptation ways for different kinds of crossing-domain knowledge, and 2) transferring suitable knowledge for specific situations with gated knowledge fusion. Specifically, we design a framework that contains three domain adaption methods including style transfer, distribution approximation, and knowledge distillation for various information, such as visual, semantic, depth, location, etc. A Learnable Gated Unit (LGU) is employed to fuse suitable cross-domain knowledge to boost pedestrian crossing prediction. We construct a new synthetic benchmark S2R-PCP-3181 with 3181 sequences (489,740 frames) which contains the pedestrian locations, RGB frames, semantic images, and depth images. With the synthetic S2R-PCP-3181, we transfer the knowledge to two real challenging datasets of PIE and JAAD, and superior PCP performance is obtained to the state-of-the-art methods.

cross Scalable Multivariate Fronthaul Quantization for Cell-Free Massive MIMO

Authors: Sangwoo Park, Ahmet Hasim Gokceoglu, Li Wang, Osvaldo Simeone

Abstract: The conventional approach to the fronthaul design for cell-free massive MIMO system follows the compress-and-precode (CP) paradigm. Accordingly, encoded bits and precoding coefficients are shared by the distributed unit (DU) on the fronthaul links, and precoding takes place at the radio units (RUs). Previous theoretical work has shown that CP can be potentially improved by a significant margin by precode-and-compress (PC) methods, in which all baseband processing is carried out at the DU, which compresses the precoded signals for transmission on the fronthaul links. The theoretical performance gain of PC methods are particularly pronounced when the DU implements multivariate quantization (MQ), applying joint quantization across the signals for all the RUs. However, existing solutions for MQ are characterized by a computational complexity that grows exponentially with the sum-fronthaul capacity from the DU to all RUs. This work sets out to design scalable MQ strategies for PC-based cell-free massive MIMO systems. For the low-fronthaul capacity regime, we present alpha-parallel MQ (alpha-PMQ), whose complexity is exponential only in the fronthaul capacity towards an individual RU, while performing close to full MQ. alpha-PMQ tailors MQ to the topology of the network by allowing for parallel local quantization steps for RUs that do not interfere too much with each other. For the high-fronthaul capacity regime, we then introduce neural MQ, which replaces the exhaustive search in MQ with gradient-based updates for a neural-network-based decoder, attaining a complexity that grows linearly with the sum-fronthaul capacity. Numerical results demonstrate that the proposed scalable MQ strategies outperform CP for both the low and high-fronthaul capacity regimes at the cost of increased computational complexity at the DU (but not at the RUs).

cross Detailed delineation of the fetal brain in diffusion MRI via multi-task learning

Authors: Davood Karimi, Camilo Calixto, Haykel Snoussi, Maria Camila Cortes-Albornoz, Clemente Velasco-Annis, Caitlin Rollins, Camilo Jaimes, Ali Gholipour, Simon K. Warfield

Abstract: Diffusion-weighted MRI is increasingly used to study the normal and abnormal development of fetal brain in-utero. Recent studies have shown that dMRI can offer invaluable insights into the neurodevelopmental processes in the fetal stage. However, because of the low data quality and rapid brain development, reliable analysis of fetal dMRI data requires dedicated computational methods that are currently unavailable. The lack of automated methods for fast, accurate, and reproducible data analysis has seriously limited our ability to tap the potential of fetal brain dMRI for medical and scientific applications. In this work, we developed and validated a unified computational framework to (1) segment the brain tissue into white matter, cortical/subcortical gray matter, and cerebrospinal fluid, (2) segment 31 distinct white matter tracts, and (3) parcellate the brain's cortex and delineate the deep gray nuclei and white matter structures into 96 anatomically meaningful regions. We utilized a set of manual, semi-automatic, and automatic approaches to annotate 97 fetal brains. Using these labels, we developed and validated a multi-task deep learning method to perform the three computations. Our evaluations show that the new method can accurately carry out all three tasks, achieving a mean Dice similarity coefficient of 0.865 on tissue segmentation, 0.825 on white matter tract segmentation, and 0.819 on parcellation. The proposed method can greatly advance the field of fetal neuroimaging as it can lead to substantial improvements in fetal brain tractography, tract-specific analysis, and structural connectivity assessment.

cross Dual Adversarial Perturbators Generate rich Views for Recommendation

Authors: Lijun Zhang, Yuan Yao, Haibo Ye

Abstract: Graph contrastive learning (GCL) has been extensively studied and leveraged as a potent tool in recommender systems. Most existing GCL-based recommenders generate contrastive views by altering the graph structure or introducing perturbations to embedding. While these methods effectively enhance learning from sparse data, they risk performance degradation or even training collapse when the differences between contrastive views become too pronounced. To mitigate this issue, we employ curriculum learning to incrementally increase the disparity between contrastive views, enabling the model to gain from more challenging scenarios. In this paper, we propose a dual-adversarial graph learning approach, AvoGCL, which emulates curriculum learning by progressively applying adversarial training to graph structures and embedding perturbations. Specifically, AvoGCL construct contrastive views by reducing graph redundancy and generating adversarial perturbations in the embedding space, and achieve better results by gradually increasing the difficulty of contrastive views. Extensive experiments on three real-world datasets demonstrate that AvoGCL significantly outperforms the state-of-the-art competitors.

cross Automated Quantification of White Blood Cells in Light Microscopic Images of Injured Skeletal Muscle

Authors: Yang Jiao, Hananeh Derakhshan, Barbara St. Pierre Schneider, Emma Regentova, Mei Yang

Abstract: White blood cells (WBCs) are the most diverse cell types observed in the healing process of injured skeletal muscles. In the course of healing, WBCs exhibit dynamic cellular response and undergo multiple protein expression changes. The progress of healing can be analyzed by quantifying the number of WBCs or the amount of specific proteins in light microscopic images obtained at different time points after injury. In this paper, we propose an automated quantifying and analysis framework to analyze WBCs using light microscopic images of uninjured and injured muscles. The proposed framework is based on the Localized Iterative Otsu's threshold method with muscle edge detection and region of interest extraction. Compared with the threshold methods used in ImageJ, the LI Otsu's threshold method has high resistance to background area and achieves better accuracy. The CD68-positive cell results are presented for demonstrating the effectiveness of the proposed work.

cross MLP, XGBoost, KAN, TDNN, and LSTM-GRU Hybrid RNN with Attention for SPX and NDX European Call Option Pricing

Authors: Boris Ter-Avanesov, Homayoon Beigi

Abstract: We explore the performance of various artificial neural network architectures, including a multilayer perceptron (MLP), Kolmogorov-Arnold network (KAN), LSTM-GRU hybrid recursive neural network (RNN) models, and a time-delay neural network (TDNN) for pricing European call options. In this study, we attempt to leverage the ability of supervised learning methods, such as ANNs, KANs, and gradient-boosted decision trees, to approximate complex multivariate functions in order to calibrate option prices based on past market data. The motivation for using ANNs and KANs is the Universal Approximation Theorem and Kolmogorov-Arnold Representation Theorem, respectively. Specifically, we use S\&P 500 (SPX) and NASDAQ 100 (NDX) index options traded during 2015-2023 with times to maturity ranging from 15 days to over 4 years (OptionMetrics IvyDB US dataset). Black \& Scholes's (BS) PDE \cite{Black1973} model's performance in pricing the same options compared to real data is used as a benchmark. This model relies on strong assumptions, and it has been observed and discussed in the literature that real data does not match its predictions. Supervised learning methods are widely used as an alternative for calibrating option prices due to some of the limitations of this model. In our experiments, the BS model underperforms compared to all of the others. Also, the best TDNN model outperforms the best MLP model on all error metrics. We implement a simple self-attention mechanism to enhance the RNN models, significantly improving their performance. The best-performing model overall is the LSTM-GRU hybrid RNN model with attention. Also, the KAN model outperforms the TDNN and MLP models. We analyze the performance of all models by ticker, moneyness category, and over/under/correctly-priced percentage.

cross DefectTwin: When LLM Meets Digital Twin for Railway Defect Inspection

Authors: Rahatara Ferdousi, M. Anwar Hossain, Chunsheng Yang, Abdulmotaleb El Saddik

Abstract: A Digital Twin (DT) replicates objects, processes, or systems for real-time monitoring, simulation, and predictive maintenance. Recent advancements like Large Language Models (LLMs) have revolutionized traditional AI systems and offer immense potential when combined with DT in industrial applications such as railway defect inspection. Traditionally, this inspection requires extensive defect samples to identify patterns, but limited samples can lead to overfitting and poor performance on unseen defects. Integrating pre-trained LLMs into DT addresses this challenge by reducing the need for vast sample data. We introduce DefectTwin, which employs a multimodal and multi-model (M^2) LLM-based AI pipeline to analyze both seen and unseen visual defects in railways. This application enables a railway agent to perform expert-level defect analysis using consumer electronics (e.g., tablets). A multimodal processor ensures responses are in a consumable format, while an instant user feedback mechanism (instaUF) enhances Quality-of-Experience (QoE). The proposed M^2 LLM outperforms existing models, achieving high precision (0.76-0.93) across multimodal inputs including text, images, and videos of pre-trained defects, and demonstrates superior zero-shot generalizability for unseen defects. We also evaluate the latency, token count, and usefulness of responses generated by DefectTwin on consumer devices. To our knowledge, DefectTwin is the first LLM-integrated DT designed for railway defect inspection.

cross Feedback-based Modal Mutual Search for Attacking Vision-Language Pre-training Models

Authors: Renhua Ding, Xinze Zhang, Xiao Yang, Kun He

Abstract: Although vision-language pre-training (VLP) models have achieved remarkable progress on cross-modal tasks, they remain vulnerable to adversarial attacks. Using data augmentation and cross-modal interactions to generate transferable adversarial examples on surrogate models, transfer-based black-box attacks have become the mainstream methods in attacking VLP models, as they are more practical in real-world scenarios. However, their transferability may be limited due to the differences on feature representation across different models. To this end, we propose a new attack paradigm called Feedback-based Modal Mutual Search (FMMS). FMMS introduces a novel modal mutual loss (MML), aiming to push away the matched image-text pairs while randomly drawing mismatched pairs closer in feature space, guiding the update directions of the adversarial examples. Additionally, FMMS leverages the target model feedback to iteratively refine adversarial examples, driving them into the adversarial region. To our knowledge, this is the first work to exploit target model feedback to explore multi-modality adversarial boundaries. Extensive empirical evaluations on Flickr30K and MSCOCO datasets for image-text matching tasks show that FMMS significantly outperforms the state-of-the-art baselines.

cross Leveraging RNNs and LSTMs for Synchronization Analysis in the Indian Stock Market: A Threshold-Based Classification Approach

Authors: Sanjay Sathish, Charu C Sharma

Abstract: Our research presents a new approach for forecasting the synchronization of stock prices using machine learning and non-linear time-series analysis. To capture the complex non-linear relationships between stock prices, we utilize recurrence plots (RP) and cross-recurrence quantification analysis (CRQA). By transforming Cross Recurrence Plot (CRP) data into a time-series format, we enable the use of Recurrent Neural Networks (RNN) and Long Short-Term Memory (LSTM) networks for predicting stock price synchronization through both regression and classification. We apply this methodology to a dataset of 20 highly capitalized stocks from the Indian market over a 21-year period. The findings reveal that our approach can predict stock price synchronization, with an accuracy of 0.98 and F1 score of 0.83 offering valuable insights for developing effective trading strategies and risk management tools.

cross Urban context and delivery performance: Modelling service time for cargo bikes and vans across diverse urban environments

Authors: Maxwell Schrader, Navish Kumar, Esben S{\o}rig, Soonmyeong Yoon, Akash Srivastava, Kai Xu, Maria Astefanoaei, Nicolas Collignon

Abstract: Light goods vehicles (LGV) used extensively in the last mile of delivery are one of the leading polluters in cities. Cargo-bike logistics and Light Electric Vehicles (LEVs) have been put forward as a high impact candidate for replacing LGVs. Studies have estimated over half of urban van deliveries being replaceable by cargo-bikes, due to their faster speeds, shorter parking times and more efficient routes across cities. However, the logistics sector suffers from a lack of publicly available data, particularly pertaining to cargo-bike deliveries, thus limiting the understanding of their potential benefits. Specifically, service time (which includes cruising for parking, and walking to destination) is a major, but often overlooked component of delivery time modelling. The aim of this study is to establish a framework for measuring the performance of delivery vehicles, with an initial focus on modelling service times of vans and cargo-bikes across diverse urban environments. We introduce two datasets that allow for in-depth analysis and modelling of service times of cargo bikes and use existing datasets to reason about differences in delivery performance across vehicle types. We introduce a modelling framework to predict the service times of deliveries based on urban context. We employ Uber's H3 index to divide cities into hexagonal cells and aggregate OpenStreetMap tags for each cell, providing a detailed assessment of urban context. Leveraging this spatial grid, we use GeoVex to represent micro-regions as points in a continuous vector space, which then serve as input for predicting vehicle service times. We show that geospatial embeddings can effectively capture urban contexts and facilitate generalizations to new contexts and cities. Our methodology addresses the challenge of limited comparative data available for different vehicle types within the same urban settings.

cross STAA: Spatio-Temporal Alignment Attention for Short-Term Precipitation Forecasting

Authors: Min Chen, Hao Yang, Shaohan Li, Xiaolin Qin

Abstract: There is a great need to accurately predict short-term precipitation, which has socioeconomic effects such as agriculture and disaster prevention. Recently, the forecasting models have employed multi-source data as the multi-modality input, thus improving the prediction accuracy. However, the prevailing methods usually suffer from the desynchronization of multi-source variables, the insufficient capability of capturing spatio-temporal dependency, and unsatisfactory performance in predicting extreme precipitation events. To fix these problems, we propose a short-term precipitation forecasting model based on spatio-temporal alignment attention, with SATA as the temporal alignment module and STAU as the spatio-temporal feature extractor to filter high-pass features from precipitation signals and capture multi-term temporal dependencies. Based on satellite and ERA5 data from the southwestern region of China, our model achieves improvements of 12.61\% in terms of RMSE, in comparison with the state-of-the-art methods.

cross Evaluation of Tropical Cyclone Track and Intensity Forecasts from Artificial Intelligence Weather Prediction (AIWP) Models

Authors: Mark DeMaria, James L. Franklin, Galina Chirokova, Jacob Radford, Robert DeMaria, Kate D. Musgrave, Imme Ebert-Uphoff

Abstract: In just the past few years multiple data-driven Artificial Intelligence Weather Prediction (AIWP) models have been developed, with new versions appearing almost monthly. Given this rapid development, the applicability of these models to operational forecasting has yet to be adequately explored and documented. To assess their utility for operational tropical cyclone (TC) forecasting, the NHC verification procedure is used to evaluate seven-day track and intensity predictions for northern hemisphere TCs from May-November 2023. Four open-source AIWP models are considered (FourCastNetv1, FourCastNetv2-small, GraphCast-operational and Pangu-Weather). The AIWP track forecast errors and detection rates are comparable to those from the best-performing operational forecast models. However, the AIWP intensity forecast errors are larger than those of even the simplest intensity forecasts based on climatology and persistence. The AIWP models almost always reduce the TC intensity, especially within the first 24 h of the forecast, resulting in a substantial low bias. The contribution of the AIWP models to the NHC model consensus was also evaluated. The consensus track errors are reduced by up to 11% at the longer time periods. The five-day NHC official track forecasts have improved by about 2% per year since 2001, so this represents more than a five-year gain in accuracy. Despite substantial negative intensity biases, the AIWP models have a neutral impact on the intensity consensus. These results show that the current formulation of the AIWP models have promise for operational TC track forecasts, but improved bias corrections or model reformulations will be needed for accurate intensity forecasts.

cross ProteinBench: A Holistic Evaluation of Protein Foundation Models

Authors: Fei Ye, Zaixiang Zheng, Dongyu Xue, Yuning Shen, Lihao Wang, Yiming Ma, Yan Wang, Xinyou Wang, Xiangxin Zhou, Quanquan Gu

Abstract: Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational dynamics. However, the capabilities and limitations associated with these models remain poorly understood due to the absence of a unified evaluation framework. To fill this gap, we introduce ProteinBench, a holistic evaluation framework designed to enhance the transparency of protein foundation models. Our approach consists of three key components: (i) A taxonomic classification of tasks that broadly encompass the main challenges in the protein domain, based on the relationships between different protein modalities; (ii) A multi-metric evaluation approach that assesses performance across four key dimensions: quality, novelty, diversity, and robustness; and (iii) In-depth analyses from various user objectives, providing a holistic view of model performance. Our comprehensive evaluation of protein foundation models reveals several key findings that shed light on their current capabilities and limitations. To promote transparency and facilitate further research, we release the evaluation dataset, code, and a public leaderboard publicly for further analysis and a general modular toolkit. We intend for ProteinBench to be a living benchmark for establishing a standardized, in-depth evaluation framework for protein foundation models, driving their development and application while fostering collaboration within the field.

cross Can Agents Spontaneously Form a Society? Introducing a Novel Architecture for Generative Multi-Agents to Elicit Social Emergence

Authors: H. Zhang, J. Yin, M. Jiang, C. Su

Abstract: Generative agents have demonstrated impressive capabilities in specific tasks, but most of these frameworks focus on independent tasks and lack attention to social interactions. We introduce a generative agent architecture called ITCMA-S, which includes a basic framework for individual agents and a framework called LTRHA that supports social interactions among multi-agents. This architecture enables agents to identify and filter out behaviors that are detrimental to social interactions, guiding them to choose more favorable actions. We designed a sandbox environment to simulate the natural evolution of social relationships among multiple identity-less agents for experimental evaluation. The results showed that ITCMA-S performed well on multiple evaluation indicators, demonstrating its ability to actively explore the environment, recognize new agents, and acquire new information through continuous actions and dialogue. Observations show that as agents establish connections with each other, they spontaneously form cliques with internal hierarchies around a selected leader and organize collective activities.

cross A tutorial on automatic differentiation with complex numbers

Authors: Nicholas Kr\"amer

Abstract: Automatic differentiation is everywhere, but there exists only minimal documentation of how it works in complex arithmetic beyond stating "derivatives in $\mathbb{C}^d$" $\cong$ "derivatives in $\mathbb{R}^{2d}$" and, at best, shallow references to Wirtinger calculus. Unfortunately, the equivalence $\mathbb{C}^d \cong \mathbb{R}^{2d}$ becomes insufficient as soon as we need to derive custom gradient rules, e.g., to avoid differentiating "through" expensive linear algebra functions or differential equation simulators. To combat such a lack of documentation, this article surveys forward- and reverse-mode automatic differentiation with complex numbers, covering topics such as Wirtinger derivatives, a modified chain rule, and different gradient conventions while explicitly avoiding holomorphicity and the Cauchy--Riemann equations (which would be far too restrictive). To be precise, we will derive, explain, and implement a complex version of Jacobian-vector and vector-Jacobian products almost entirely with linear algebra without relying on complex analysis or differential geometry. This tutorial is a call to action, for users and developers alike, to take complex values seriously when implementing custom gradient propagation rules -- the manuscript explains how.

cross Human Motion Synthesis_ A Diffusion Approach for Motion Stitching and In-Betweening

Authors: Michael Adewole, Oluwaseyi Giwa, Favour Nerrise, Martins Osifeko, Ajibola Oyedeji

Abstract: Human motion generation is an important area of research in many fields. In this work, we tackle the problem of motion stitching and in-betweening. Current methods either require manual efforts, or are incapable of handling longer sequences. To address these challenges, we propose a diffusion model with a transformer-based denoiser to generate realistic human motion. Our method demonstrated strong performance in generating in-betweening sequences, transforming a variable number of input poses into smooth and realistic motion sequences consisting of 75 frames at 15 fps, resulting in a total duration of 5 seconds. We present the performance evaluation of our method using quantitative metrics such as Frechet Inception Distance (FID), Diversity, and Multimodality, along with visual assessments of the generated outputs.

cross Adversarial Attacks to Multi-Modal Models

Authors: Zhihao Dou, Xin Hu, Haibo Yang, Zhuqing Liu, Minghong Fang

Abstract: Multi-modal models have gained significant attention due to their powerful capabilities. These models effectively align embeddings across diverse data modalities, showcasing superior performance in downstream tasks compared to their unimodal counterparts. Recent study showed that the attacker can manipulate an image or audio file by altering it in such a way that its embedding matches that of an attacker-chosen targeted input, thereby deceiving downstream models. However, this method often underperforms due to inherent disparities in data from different modalities. In this paper, we introduce CrossFire, an innovative approach to attack multi-modal models. CrossFire begins by transforming the targeted input chosen by the attacker into a format that matches the modality of the original image or audio file. We then formulate our attack as an optimization problem, aiming to minimize the angular deviation between the embeddings of the transformed input and the modified image or audio file. Solving this problem determines the perturbations to be added to the original media. Our extensive experiments on six real-world benchmark datasets reveal that CrossFire can significantly manipulate downstream tasks, surpassing existing attacks. Additionally, we evaluate six defensive strategies against CrossFire, finding that current defenses are insufficient to counteract our CrossFire.

cross Bifurcation Identification for Ultrasound-driven Robotic Cannulation

Authors: Cecilia G. Morales, Dhruv Srikanth, Jack H. Good, Keith A. Dufendach, Artur Dubrawski

Abstract: In trauma and critical care settings, rapid and precise intravascular access is key to patients' survival. Our research aims at ensuring this access, even when skilled medical personnel are not readily available. Vessel bifurcations are anatomical landmarks that can guide the safe placement of catheters or needles during medical procedures. Although ultrasound is advantageous in navigating anatomical landmarks in emergency scenarios due to its portability and safety, to our knowledge no existing algorithm can autonomously extract vessel bifurcations using ultrasound images. This is primarily due to the limited availability of ground truth data, in particular, data from live subjects, needed for training and validating reliable models. Researchers often resort to using data from anatomical phantoms or simulations. We introduce BIFURC, Bifurcation Identification for Ultrasound-driven Robot Cannulation, a novel algorithm that identifies vessel bifurcations and provides optimal needle insertion sites for an autonomous robotic cannulation system. BIFURC integrates expert knowledge with deep learning techniques to efficiently detect vessel bifurcations within the femoral region and can be trained on a limited amount of in-vivo data. We evaluated our algorithm using a medical phantom as well as real-world experiments involving live pigs. In all cases, BIFURC consistently identified bifurcation points and needle insertion locations in alignment with those identified by expert clinicians.

cross Joint trajectory and network inference via reference fitting

Authors: Stephen Y Zhang

Abstract: Network inference, the task of reconstructing interactions in a complex system from experimental observables, is a central yet extremely challenging problem in systems biology. While much progress has been made in the last two decades, network inference remains an open problem. For systems observed at steady state, limited insights are available since temporal information is unavailable and thus causal information is lost. Two common avenues for gaining causal insights into system behaviour are to leverage temporal dynamics in the form of trajectories, and to apply interventions such as knock-out perturbations. We propose an approach for leveraging both dynamical and perturbational single cell data to jointly learn cellular trajectories and power network inference. Our approach is motivated by min-entropy estimation for stochastic dynamics and can infer directed and signed networks from time-stamped single cell snapshots.

cross A Dataset for Evaluating LLM-based Evaluation Functions for Research Question Extraction Task

Authors: Yuya Fujisaki, Shiro Takagi, Hideki Asoh, Wataru Kumagai

Abstract: The progress in text summarization techniques has been remarkable. However the task of accurately extracting and summarizing necessary information from highly specialized documents such as research papers has not been sufficiently investigated. We are focusing on the task of extracting research questions (RQ) from research papers and construct a new dataset consisting of machine learning papers, RQ extracted from these papers by GPT-4, and human evaluations of the extracted RQ from multiple perspectives. Using this dataset, we systematically compared recently proposed LLM-based evaluation functions for summarizations, and found that none of the functions showed sufficiently high correlations with human evaluations. We expect our dataset provides a foundation for further research on developing better evaluation functions tailored to the RQ extraction task, and contribute to enhance the performance of the task. The dataset is available at https://github.com/auto-res/PaperRQ-HumanAnno-Dataset.

URLs: https://github.com/auto-res/PaperRQ-HumanAnno-Dataset.

cross Enhanced Pix2Pix GAN for Visual Defect Removal in UAV-Captured Images

Authors: Volodymyr Rizun

Abstract: This paper presents a neural network that effectively removes visual defects from UAV-captured images. It features an enhanced Pix2Pix GAN, specifically engineered to address visual defects in UAV imagery. The method incorporates advanced modifications to the Pix2Pix architecture, targeting prevalent issues such as mode collapse. The suggested method facilitates significant improvements in the quality of defected UAV images, yielding cleaner and more precise visual results. The effectiveness of the proposed approach is demonstrated through evaluation on a custom dataset of aerial photographs, highlighting its capability to refine and restore UAV imagery effectively.

cross Learning Deep Kernels for Non-Parametric Independence Testing

Authors: Nathaniel Xu, Feng Liu, Danica J. Sutherland

Abstract: The Hilbert-Schmidt Independence Criterion (HSIC) is a powerful tool for nonparametric detection of dependence between random variables. It crucially depends, however, on the selection of reasonable kernels; commonly-used choices like the Gaussian kernel, or the kernel that yields the distance covariance, are sufficient only for amply sized samples from data distributions with relatively simple forms of dependence. We propose a scheme for selecting the kernels used in an HSIC-based independence test, based on maximizing an estimate of the asymptotic test power. We prove that maximizing this estimate indeed approximately maximizes the true power of the test, and demonstrate that our learned kernels can identify forms of structured dependence between random variables in various experiments.

cross Mazed and Confused: A Dataset of Cybersickness, Working Memory, Mental Load, Physical Load, and Attention During a Real Walking Task in VR

Authors: Jyotirmay Nag Setu, Joshua M Le, Ripan Kumar Kundu, Barry Giesbrecht, Tobias H\"ollerer, Khaza Anuarul Hoque, Kevin Desai, John Quarles

Abstract: Virtual Reality (VR) is quickly establishing itself in various industries, including training, education, medicine, and entertainment, in which users are frequently required to carry out multiple complex cognitive and physical activities. However, the relationship between cognitive activities, physical activities, and familiar feelings of cybersickness is not well understood and thus can be unpredictable for developers. Researchers have previously provided labeled datasets for predicting cybersickness while users are stationary, but there have been few labeled datasets on cybersickness while users are physically walking. Thus, from 39 participants, we collected head orientation, head position, eye tracking, images, physiological readings from external sensors, and the self-reported cybersickness severity, physical load, and mental load in VR. Throughout the data collection, participants navigated mazes via real walking and performed tasks challenging their attention and working memory. To demonstrate the dataset's utility, we conducted a case study of training classifiers in which we achieved 95% accuracy for cybersickness severity classification. The noteworthy performance of the straightforward classifiers makes this dataset ideal for future researchers to develop cybersickness detection and reduction models. To better understand the features that helped with classification, we performed SHAP(SHapley Additive exPlanations) analysis, highlighting the importance of eye tracking and physiological measures for cybersickness prediction while walking. This open dataset can allow future researchers to study the connection between cybersickness and cognitive loads and develop prediction models. This dataset will empower future VR developers to design efficient and effective Virtual Environments by improving cognitive load management and minimizing cybersickness.

cross k-MLE, k-Bregman, k-VARs: Theory, Convergence, Computation

Authors: Zuogong Yue, Victor Solo

Abstract: We develop hard clustering based on likelihood rather than distance and prove convergence. We also provide simulations and real data examples.

cross Toward Model-Agnostic Detection of New Physics Using Data-Driven Signal Regions

Authors: Soheun Yi, John Alison, Mikael Kuusela

Abstract: In the search for new particles in high-energy physics, it is crucial to select the Signal Region (SR) in such a way that it is enriched with signal events if they are present. While most existing search methods set the region relying on prior domain knowledge, it may be unavailable for a completely novel particle that falls outside the current scope of understanding. We address this issue by proposing a method built upon a model-agnostic but often realistic assumption about the localized topology of the signal events, in which they are concentrated in a certain area of the feature space. Considering the signal component as a localized high-frequency feature, our approach employs the notion of a low-pass filter. We define the SR as an area which is most affected when the observed events are smeared with additive random noise. We overcome challenges in density estimation in the high-dimensional feature space by learning the density ratio of events that potentially include a signal to the complementary observation of events that closely resemble the target events but are free of any signals. By applying our method to simulated $\mathrm{HH} \rightarrow 4b$ events, we demonstrate that the method can efficiently identify a data-driven SR in a high-dimensional feature space in which a high portion of signal events concentrate.

cross AdvLogo: Adversarial Patch Attack against Object Detectors based on Diffusion Models

Authors: Boming Miao, Chunxiao Li, Yao Zhu, Weixiang Sun, Zizhe Wang, Xiaoyi Wang, Chuanlong Xie

Abstract: With the rapid development of deep learning, object detectors have demonstrated impressive performance; however, vulnerabilities still exist in certain scenarios. Current research exploring the vulnerabilities using adversarial patches often struggles to balance the trade-off between attack effectiveness and visual quality. To address this problem, we propose a novel framework of patch attack from semantic perspective, which we refer to as AdvLogo. Based on the hypothesis that every semantic space contains an adversarial subspace where images can cause detectors to fail in recognizing objects, we leverage the semantic understanding of the diffusion denoising process and drive the process to adversarial subareas by perturbing the latent and unconditional embeddings at the last timestep. To mitigate the distribution shift that exposes a negative impact on image quality, we apply perturbation to the latent in frequency domain with the Fourier Transform. Experimental results demonstrate that AdvLogo achieves strong attack performance while maintaining high visual quality.

cross A Practical Theory of Generalization in Selectivity Learning

Authors: Peizhi Wu, Haoshu Xu, Ryan Marcus, Zachary G. Ives

Abstract: Query-driven machine learning models have emerged as a promising estimation technique for query selectivities. Yet, surprisingly little is known about the efficacy of these techniques from a theoretical perspective, as there exist substantial gaps between practical solutions and state-of-the-art (SOTA) theory based on the Probably Approximately Correct (PAC) learning framework. In this paper, we aim to bridge the gaps between theory and practice. First, we demonstrate that selectivity predictors induced by signed measures are learnable, which relaxes the reliance on probability measures in SOTA theory. More importantly, beyond the PAC learning framework (which only allows us to characterize how the model behaves when both training and test workloads are drawn from the same distribution), we establish, under mild assumptions, that selectivity predictors from this class exhibit favorable out-of-distribution (OOD) generalization error bounds. These theoretical advances provide us with a better understanding of both the in-distribution and OOD generalization capabilities of query-driven selectivity learning, and facilitate the design of two general strategies to improve OOD generalization for existing query-driven selectivity models. We empirically verify that our techniques help query-driven selectivity models generalize significantly better to OOD queries both in terms of prediction accuracy and query latency performance, while maintaining their superior in-distribution generalization performance.

cross From optimal score matching to optimal sampling

Authors: Zehao Dou, Subhodh Kotekal, Zhehao Xu, Harrison H. Zhou

Abstract: The recent, impressive advances in algorithmic generation of high-fidelity image, audio, and video are largely due to great successes in score-based diffusion models. A key implementing step is score matching, that is, the estimation of the score function of the forward diffusion process from training data. As shown in earlier literature, the total variation distance between the law of a sample generated from the trained diffusion model and the ground truth distribution can be controlled by the score matching risk. Despite the widespread use of score-based diffusion models, basic theoretical questions concerning exact optimal statistical rates for score estimation and its application to density estimation remain open. We establish the sharp minimax rate of score estimation for smooth, compactly supported densities. Formally, given \(n\) i.i.d. samples from an unknown \(\alpha\)-H\"{o}lder density \(f\) supported on \([-1, 1]\), we prove the minimax rate of estimating the score function of the diffused distribution \(f * \mathcal{N}(0, t)\) with respect to the score matching loss is \(\frac{1}{nt^2} \wedge \frac{1}{nt^{3/2}} \wedge (t^{\alpha-1} + n^{-2(\alpha-1)/(2\alpha+1)})\) for all \(\alpha > 0\) and \(t \ge 0\). As a consequence, it is shown the law \(\hat{f}\) of a sample generated from the diffusion model achieves the sharp minimax rate \(\bE(\dTV(\hat{f}, f)^2) \lesssim n^{-2\alpha/(2\alpha+1)}\) for all \(\alpha > 0\) without any extraneous logarithmic terms which are prevalent in the literature, and without the need for early stopping which has been required for all existing procedures to the best of our knowledge.

cross Understanding Knowledge Drift in LLMs through Misinformation

Authors: Alina Fastowski, Gjergji Kasneci

Abstract: Large Language Models (LLMs) have revolutionized numerous applications, making them an integral part of our digital ecosystem. However, their reliability becomes critical, especially when these models are exposed to misinformation. We primarily analyze the susceptibility of state-of-the-art LLMs to factual inaccuracies when they encounter false information in a QnA scenario, an issue that can lead to a phenomenon we refer to as *knowledge drift*, which significantly undermines the trustworthiness of these models. We evaluate the factuality and the uncertainty of the models' responses relying on Entropy, Perplexity, and Token Probability metrics. Our experiments reveal that an LLM's uncertainty can increase up to 56.6% when the question is answered incorrectly due to the exposure to false information. At the same time, repeated exposure to the same false information can decrease the models uncertainty again (-52.8% w.r.t. the answers on the untainted prompts), potentially manipulating the underlying model's beliefs and introducing a drift from its original knowledge. These findings provide insights into LLMs' robustness and vulnerability to adversarial inputs, paving the way for developing more reliable LLM applications across various domains. The code is available at https://github.com/afastowski/knowledge_drift.

URLs: https://github.com/afastowski/knowledge_drift.

cross Deep intra-operative illumination calibration of hyperspectral cameras

Authors: Alexander Baumann, Leonardo Ayala, Alexander Studier-Fischer, Jan Sellner, Berkin \"Ozdemir, Karl-Friedrich Kowalewski, Slobodan Ilic, Silvia Seidlitz, Lena Maier-Hein

Abstract: Hyperspectral imaging (HSI) is emerging as a promising novel imaging modality with various potential surgical applications. Currently available cameras, however, suffer from poor integration into the clinical workflow because they require the lights to be switched off, or the camera to be manually recalibrated as soon as lighting conditions change. Given this critical bottleneck, the contribution of this paper is threefold: (1) We demonstrate that dynamically changing lighting conditions in the operating room dramatically affect the performance of HSI applications, namely physiological parameter estimation, and surgical scene segmentation. (2) We propose a novel learning-based approach to automatically recalibrating hyperspectral images during surgery and show that it is sufficiently accurate to replace the tedious process of white reference-based recalibration. (3) Based on a total of 742 HSI cubes from a phantom, porcine models, and rats we show that our recalibration method not only outperforms previously proposed methods, but also generalizes across species, lighting conditions, and image processing tasks. Due to its simple workflow integration as well as high accuracy, speed, and generalization capabilities, our method could evolve as a central component in clinical surgical HSI.

cross Attention Down-Sampling Transformer, Relative Ranking and Self-Consistency for Blind Image Quality Assessment

Authors: Mohammed Alsaafin, Musab Alsheikh, Saeed Anwar, Muhammad Usman

Abstract: The no-reference image quality assessment is a challenging domain that addresses estimating image quality without the original reference. We introduce an improved mechanism to extract local and non-local information from images via different transformer encoders and CNNs. The utilization of Transformer encoders aims to mitigate locality bias and generate a non-local representation by sequentially processing CNN features, which inherently capture local visual structures. Establishing a stronger connection between subjective and objective assessments is achieved through sorting within batches of images based on relative distance information. A self-consistency approach to self-supervision is presented, explicitly addressing the degradation of no-reference image quality assessment (NR-IQA) models under equivariant transformations. Our approach ensures model robustness by maintaining consistency between an image and its horizontally flipped equivalent. Through empirical evaluation of five popular image quality assessment datasets, the proposed model outperforms alternative algorithms in the context of no-reference image quality assessment datasets, especially on smaller datasets. Codes are available at \href{https://github.com/mas94/ADTRS}{https://github.com/mas94/ADTRS}

URLs: https://github.com/mas94/ADTRS, https://github.com/mas94/ADTRS

cross Cross-Refine: Improving Natural Language Explanation Generation by Learning in Tandem

Authors: Qianli Wang, Tatiana Anikina, Nils Feldhus, Simon Ostermann, Sebastian M\"oller, Vera Schmitt

Abstract: Natural language explanations (NLEs) are vital for elucidating the reasoning behind large language model (LLM) decisions. Many techniques have been developed to generate NLEs using LLMs. However, like humans, LLMs might not always produce optimal NLEs on first attempt. Inspired by human learning processes, we introduce Cross-Refine, which employs role modeling by deploying two LLMs as generator and critic, respectively. The generator outputs a first NLE and then refines this initial explanation using feedback and suggestions provided by the critic. Cross-Refine does not require any supervised training data or additional training. We validate Cross-Refine across three NLP tasks using three state-of-the-art open-source LLMs through automatic and human evaluation. We select Self-Refine (Madaan et al., 2023) as the baseline, which only utilizes self-feedback to refine the explanations. Our findings from automatic evaluation and a user study indicate that Cross-Refine outperforms Self-Refine. Meanwhile, Cross-Refine can perform effectively with less powerful LLMs, whereas Self-Refine only yields strong results with ChatGPT. Additionally, we conduct an ablation study to assess the importance of feedback and suggestions. Both of them play an important role in refining explanations. We further evaluate Cross-Refine on a bilingual dataset in English and German.

cross Reranking Laws for Language Generation: A Communication-Theoretic Perspective

Authors: Ant\'onio Farinhas, Haau-Sing Li, Andr\'e F. T. Martins

Abstract: To ensure large language models (LLMs) are used safely, one must reduce their propensity to hallucinate or to generate unacceptable answers. A simple and often used strategy is to first let the LLM generate multiple hypotheses and then employ a reranker to choose the best one. In this paper, we draw a parallel between this strategy and the use of redundancy to decrease the error rate in noisy communication channels. We conceptualize the generator as a sender transmitting multiple descriptions of a message through parallel noisy channels. The receiver decodes the message by ranking the (potentially corrupted) descriptions and selecting the one found to be most reliable. We provide conditions under which this protocol is asymptotically error-free (i.e., yields an acceptable answer almost surely) even in scenarios where the reranker is imperfect (governed by Mallows or Zipf-Mandelbrot models) and the channel distributions are statistically dependent. We use our framework to obtain reranking laws which we validate empirically on two real-world tasks using LLMs: text-to-code generation with DeepSeek-Coder 7B and machine translation of medical data with TowerInstruct 13B.

cross Coupling Machine Learning Local Predictions with a Computational Fluid Dynamics Solver to Accelerate Transient Buoyant Plume Simulations

Authors: Cl\'ement Caron, Philippe Lauret, Alain Bastide

Abstract: Data-driven methods demonstrate considerable potential for accelerating the inherently expensive computational fluid dynamics (CFD) solvers. Nevertheless, pure machine-learning surrogate models face challenges in ensuring physical consistency and scaling up to address real-world problems. This study presents a versatile and scalable hybrid methodology, combining CFD and machine learning, to accelerate long-term incompressible fluid flow simulations without compromising accuracy. A neural network was trained offline using simulated data of various two-dimensional transient buoyant plume flows. The objective was to leverage local features to predict the temporal changes in the pressure field in comparable scenarios. Due to cell-level predictions, the methodology was successfully applied to diverse geometries without additional training. Pressure estimates were employed as initial values to accelerate the pressure-velocity coupling procedure. The results demonstrated an average improvement of 94% in the initial guess for solving the Poisson equation. The first pressure corrector acceleration reached a mean factor of 3, depending on the iterative solver employed. Our work reveals that machine learning estimates at the cell level can enhance the efficiency of CFD iterative linear solvers while maintaining accuracy. Although the scalability of the methodology to more complex cases has yet to be demonstrated, this study underscores the prospective value of domain-specific hybrid solvers for CFD.

cross FuXi-2.0: Advancing machine learning weather forecasting model for practical applications

Authors: Xiaohui Zhong, Lei Chen, Xu Fan, Wenxu Qian, Jun Liu, Hao Li

Abstract: Machine learning (ML) models have become increasingly valuable in weather forecasting, providing forecasts that not only lower computational costs but often match or exceed the accuracy of traditional numerical weather prediction (NWP) models. Despite their potential, ML models typically suffer from limitations such as coarse temporal resolution, typically 6 hours, and a limited set of meteorological variables, limiting their practical applicability. To overcome these challenges, we introduce FuXi-2.0, an advanced ML model that delivers 1-hourly global weather forecasts and includes a comprehensive set of essential meteorological variables, thereby expanding its utility across various sectors like wind and solar energy, aviation, and marine shipping. Our study conducts comparative analyses between ML-based 1-hourly forecasts and those from the high-resolution forecast (HRES) of the European Centre for Medium-Range Weather Forecasts (ECMWF) for various practical scenarios. The results demonstrate that FuXi-2.0 consistently outperforms ECMWF HRES in forecasting key meteorological variables relevant to these sectors. In particular, FuXi-2.0 shows superior performance in wind power forecasting compared to ECMWF HRES, further validating its efficacy as a reliable tool for scenarios demanding precise weather forecasts. Additionally, FuXi-2.0 also integrates both atmospheric and oceanic components, representing a significant step forward in the development of coupled atmospheric-ocean models. Further comparative analyses reveal that FuXi-2.0 provides more accurate forecasts of tropical cyclone intensity than its predecessor, FuXi-1.0, suggesting that there are benefits of an atmosphere-ocean coupled model over atmosphere-only models.

cross Is merging worth it? Securely evaluating the information gain for causal dataset acquisition

Authors: Jake Fawkes, Lucile Ter-Minassian, Desi Ivanova, Uri Shalit, Chris Holmes

Abstract: Merging datasets across institutions is a lengthy and costly procedure, especially when it involves private information. Data hosts may therefore want to prospectively gauge which datasets are most beneficial to merge with, without revealing sensitive information. For causal estimation this is particularly challenging as the value of a merge will depend not only on the reduction in epistemic uncertainty but also the improvement in overlap. To address this challenge, we introduce the first cryptographically secure information-theoretic approach for quantifying the value of a merge in the context of heterogeneous treatment effect estimation. We do this by evaluating the Expected Information Gain (EIG) and utilising multi-party computation to ensure it can be securely computed without revealing any raw data. As we demonstrate, this can be used with differential privacy (DP) to ensure privacy requirements whilst preserving more accurate computation than naive DP alone. To the best of our knowledge, this work presents the first privacy-preserving method for dataset acquisition tailored to causal estimation. We demonstrate the effectiveness and reliability of our method on a range of simulated and realistic benchmarks. The code is available anonymously.

cross Federated $\mathcal{X}$-armed Bandit with Flexible Personalisation

Authors: Ali Arabzadeh, James A. Grant, David S. Leslie

Abstract: This paper introduces a novel approach to personalised federated learning within the $\mathcal{X}$-armed bandit framework, addressing the challenge of optimising both local and global objectives in a highly heterogeneous environment. Our method employs a surrogate objective function that combines individual client preferences with aggregated global knowledge, allowing for a flexible trade-off between personalisation and collective learning. We propose a phase-based elimination algorithm that achieves sublinear regret with logarithmic communication overhead, making it well-suited for federated settings. Theoretical analysis and empirical evaluations demonstrate the effectiveness of our approach compared to existing methods. Potential applications of this work span various domains, including healthcare, smart home devices, and e-commerce, where balancing personalisation with global insights is crucial.

cross TopoMap++: A faster and more space efficient technique to compute projections with topological guarantees

Authors: Vitoria Guardieiro, Felipe Inagaki de Oliveira, Harish Doraiswamy, Luis Gustavo Nonato, Claudio Silva

Abstract: High-dimensional data, characterized by many features, can be difficult to visualize effectively. Dimensionality reduction techniques, such as PCA, UMAP, and t-SNE, address this challenge by projecting the data into a lower-dimensional space while preserving important relationships. TopoMap is another technique that excels at preserving the underlying structure of the data, leading to interpretable visualizations. In particular, TopoMap maps the high-dimensional data into a visual space, guaranteeing that the 0-dimensional persistence diagram of the Rips filtration of the visual space matches the one from the high-dimensional data. However, the original TopoMap algorithm can be slow and its layout can be too sparse for large and complex datasets. In this paper, we propose three improvements to TopoMap: 1) a more space-efficient layout, 2) a significantly faster implementation, and 3) a novel TreeMap-based representation that makes use of the topological hierarchy to aid the exploration of the projections. These advancements make TopoMap, now referred to as TopoMap++, a more powerful tool for visualizing high-dimensional data which we demonstrate through different use case scenarios.

cross RePlay: a Recommendation Framework for Experimentation and Production Use

Authors: Alexey Vasilev, Anna Volodkevich, Denis Kulandin, Tatiana Bysheva, Anton Klenitskiy

Abstract: Using a single tool to build and compare recommender systems significantly reduces the time to market for new models. In addition, the comparison results when using such tools look more consistent. This is why many different tools and libraries for researchers in the field of recommendations have recently appeared. Unfortunately, most of these frameworks are aimed primarily at researchers and require modification for use in production due to the inability to work on large datasets or an inappropriate architecture. In this demo, we present our open-source toolkit RePlay - a framework containing an end-to-end pipeline for building recommender systems, which is ready for production use. RePlay also allows you to use a suitable stack for the pipeline on each stage: Pandas, Polars, or Spark. This allows the library to scale computations and deploy to a cluster. Thus, RePlay allows data scientists to easily move from research mode to production mode using the same interfaces.

cross TLD-READY: Traffic Light Detection -- Relevance Estimation and Deployment Analysis

Authors: Nikolai Polley, Svetlana Pavlitska, Yacin Boualili, Patrick Rohrbeck, Paul Stiller, Ashok Kumar Bangaru, J. Marius Z\"ollner

Abstract: Effective traffic light detection is a critical component of the perception stack in autonomous vehicles. This work introduces a novel deep-learning detection system while addressing the challenges of previous work. Utilizing a comprehensive dataset amalgamation, including the Bosch Small Traffic Lights Dataset, LISA, the DriveU Traffic Light Dataset, and a proprietary dataset from Karlsruhe, we ensure a robust evaluation across varied scenarios. Furthermore, we propose a relevance estimation system that innovatively uses directional arrow markings on the road, eliminating the need for prior map creation. On the DriveU dataset, this approach results in 96% accuracy in relevance estimation. Finally, a real-world evaluation is performed to evaluate the deployment and generalizing abilities of these models. For reproducibility and to facilitate further research, we provide the model weights and code: https://github.com/KASTEL-MobilityLab/traffic-light-detection.

URLs: https://github.com/KASTEL-MobilityLab/traffic-light-detection.

cross Using Generative Agents to Create Tip Sheets for Investigative Data Reporting

Authors: Joris Veerbeek, Nicholas Diakopoulos

Abstract: This paper introduces a system using generative AI agents to create tip sheets for investigative data reporting. Our system employs three specialized agents--an analyst, a reporter, and an editor--to collaboratively generate and refine tips from datasets. We validate this approach using real-world investigative stories, demonstrating that our agent-based system generally generates more newsworthy and accurate insights compared to a baseline model without agents, although some variability was noted between different stories. Our findings highlight the potential of generative AI to provide leads for investigative data reporting.

cross BLS-GAN: A Deep Layer Separation Framework for Eliminating Bone Overlap in Conventional Radiographs

Authors: Haolin Wang, Yafei Ou, Prasoon Ambalathankandy, Gen Ota, Pengyu Dai, Masayuki Ikebe, Kenji Suzuki, Tamotsu Kamishima

Abstract: Conventional radiography is the widely used imaging technology in diagnosing, monitoring, and prognosticating musculoskeletal (MSK) diseases because of its easy availability, versatility, and cost-effectiveness. In conventional radiographs, bone overlaps are prevalent, and can impede the accurate assessment of bone characteristics by radiologists or algorithms, posing significant challenges to conventional and computer-aided diagnoses. This work initiated the study of a challenging scenario - bone layer separation in conventional radiographs, in which separate overlapped bone regions enable the independent assessment of the bone characteristics of each bone layer and lay the groundwork for MSK disease diagnosis and its automation. This work proposed a Bone Layer Separation GAN (BLS-GAN) framework that can produce high-quality bone layer images with reasonable bone characteristics and texture. This framework introduced a reconstructor based on conventional radiography imaging principles, which achieved efficient reconstruction and mitigates the recurrent calculations and training instability issues caused by soft tissue in the overlapped regions. Additionally, pre-training with synthetic images was implemented to enhance the stability of both the training process and the results. The generated images passed the visual Turing test, and improved performance in downstream tasks. This work affirms the feasibility of extracting bone layer images from conventional radiographs, which holds promise for leveraging bone layer separation technology to facilitate more comprehensive analytical research in MSK diagnosis, monitoring, and prognosis. Code and dataset will be made available.

cross Statistically Valid Information Bottleneck via Multiple Hypothesis Testing

Authors: Amirmohammad Farzaneh, Osvaldo Simeone

Abstract: The information bottleneck (IB) problem is a widely studied framework in machine learning for extracting compressed features that are informative for downstream tasks. However, current approaches to solving the IB problem rely on a heuristic tuning of hyperparameters, offering no guarantees that the learned features satisfy information-theoretic constraints. In this work, we introduce a statistically valid solution to this problem, referred to as IB via multiple hypothesis testing (IB-MHT), which ensures that the learned features meet the IB constraints with high probability, regardless of the size of the available dataset. The proposed methodology builds on Pareto testing and learn-then-test (LTT), and it wraps around existing IB solvers to provide statistical guarantees on the IB constraints. We demonstrate the performance of IB-MHT on classical and deterministic IB formulations, validating the effectiveness of IB-MHT in outperforming conventional methods in terms of statistical robustness and reliability.

cross ART: Artifact Removal Transformer for Reconstructing Noise-Free Multichannel Electroencephalographic Signals

Authors: Chun-Hsiang Chuang, Kong-Yi Chang, Chih-Sheng Huang, Anne-Mei Bessas

Abstract: Artifact removal in electroencephalography (EEG) is a longstanding challenge that significantly impacts neuroscientific analysis and brain-computer interface (BCI) performance. Tackling this problem demands advanced algorithms, extensive noisy-clean training data, and thorough evaluation strategies. This study presents the Artifact Removal Transformer (ART), an innovative EEG denoising model employing transformer architecture to adeptly capture the transient millisecond-scale dynamics characteristic of EEG signals. Our approach offers a holistic, end-to-end denoising solution for diverse artifact types in multichannel EEG data. We enhanced the generation of noisy-clean EEG data pairs using an independent component analysis, thus fortifying the training scenarios critical for effective supervised learning. We performed comprehensive validations using a wide range of open datasets from various BCI applications, employing metrics like mean squared error and signal-to-noise ratio, as well as sophisticated techniques such as source localization and EEG component classification. Our evaluations confirm that ART surpasses other deep-learning-based artifact removal methods, setting a new benchmark in EEG signal processing. This advancement not only boosts the accuracy and reliability of artifact removal but also promises to catalyze further innovations in the field, facilitating the study of brain dynamics in naturalistic environments.

cross Current Symmetry Group Equivariant Convolution Frameworks for Representation Learning

Authors: Ramzan Basheer, Deepak Mishra

Abstract: Euclidean deep learning is often inadequate for addressing real-world signals where the representation space is irregular and curved with complex topologies. Interpreting the geometric properties of such feature spaces has become paramount in obtaining robust and compact feature representations that remain unaffected by nontrivial geometric transformations, which vanilla CNNs cannot effectively handle. Recognizing rotation, translation, permutation, or scale symmetries can lead to equivariance properties in the learned representations. This has led to notable advancements in computer vision and machine learning tasks under the framework of geometric deep learning, as compared to their invariant counterparts. In this report, we emphasize the importance of symmetry group equivariant deep learning models and their realization of convolution-like operations on graphs, 3D shapes, and non-Euclidean spaces by leveraging group theory and symmetry. We categorize them as regular, steerable, and PDE-based convolutions and thoroughly examine the inherent symmetries of their input spaces and ensuing representations. We also outline the mathematical link between group convolutions or message aggregation operations and the concept of equivariance. The report also highlights various datasets, their application scopes, limitations, and insightful observations on future directions to serve as a valuable reference and stimulate further research in this emerging discipline.

cross Learning to Compress Contexts for Efficient Knowledge-based Visual Question Answering

Authors: Weixi Weng, Jieming Zhu, Hao Zhang, Xiaojun Meng, Rui Zhang, Chun Yuan

Abstract: Multimodal Large Language Models (MLLMs) have demonstrated great zero-shot performance on visual question answering (VQA). However, when it comes to knowledge-based VQA (KB-VQA), MLLMs may lack human commonsense or specialized domain knowledge to answer such questions and require obtaining necessary information from external knowledge sources. Previous works like Retrival-Augmented VQA-v2 (RAVQA-v2) focus on utilizing as much input information, such as image-based textual descriptions and retrieved knowledge, as possible to improve performance, but they all overlook the issue that with the number of input tokens increasing, inference efficiency significantly decreases, which contradicts the demands of practical applications. To address this issue, we propose Retrieval-Augmented MLLM with Compressed Contexts (RACC). RACC learns to compress and aggregate retrieved contexts, from which it generates a compact modulation in the form of Key-Value (KV) cache. This modulation is then used to adapt the downstream frozen MLLM, thereby achieving effective and efficient inference. RACC achieves a state-of-the-art (SOTA) performance of 62.9% on OK-VQA. Moreover, it significantly reduces inference latency by 22.0%-59.7% compared to the prominent RAVQA-v2. Abundant experiments show RACC's broad applicability. It is compatible with various off-the-shelf MLLMs and can also handle different knowledge sources including textual and multimodal documents.

cross A Framework for Predicting the Impact of Game Balance Changes through Meta Discovery

Authors: Akash Saravanan, Matthew Guzdial

Abstract: A metagame is a collection of knowledge that goes beyond the rules of a game. In competitive, team-based games like Pok\'emon or League of Legends, it refers to the set of current dominant characters and/or strategies within the player base. Developer changes to the balance of the game can have drastic and unforeseen consequences on these sets of meta characters. A framework for predicting the impact of balance changes could aid developers in making more informed balance decisions. In this paper we present such a Meta Discovery framework, leveraging Reinforcement Learning for automated testing of balance changes. Our results demonstrate the ability to predict the outcome of balance changes in Pok\'emon Showdown, a collection of competitive Pok\'emon tiers, with high accuracy.

cross The Role of Explainable AI in Revolutionizing Human Health Monitoring

Authors: Abdullah Alharthi, Ahmed Alqurashi, Turki Alharbi, Mohammed Alammar, Nasser Aldosari, Houssem Bouchekara, Yusuf Shaaban, Mohammad Shoaib Shahriar, Abdulrahman Al Ayidh

Abstract: The complex nature of disease mechanisms and the variability of patient symptoms present significant obstacles in developing effective diagnostic tools. Although machine learning has made considerable advances in medical diagnosis, its decision-making processes frequently lack transparency, which can jeopardize patient outcomes. This underscores the critical need for Explainable AI (XAI), which not only offers greater clarity but also has the potential to significantly improve patient care. In this literature review, we conduct a detailed analysis of analyzing XAI methods identified through searches across various databases, focusing on chronic conditions such as Parkinson's, stroke, depression, cancer, heart disease, and Alzheimer's disease. The literature search revealed the application of 9 trending XAI algorithms in the field of healthcare and highlighted the pros and cons of each of them. Thus, the article is concluded with a critical appraisal of the challenges and future research opportunities for XAI in human health monitoring.

cross Training-Free Guidance for Discrete Diffusion Models for Molecular Generation

Authors: Thomas J. Kerby, Kevin R. Moon

Abstract: Training-free guidance methods for continuous data have seen an explosion of interest due to the fact that they enable foundation diffusion models to be paired with interchangable guidance models. Currently, equivalent guidance methods for discrete diffusion models are unknown. We present a framework for applying training-free guidance to discrete data and demonstrate its utility on molecular graph generation tasks using the discrete diffusion model architecture of DiGress. We pair this model with guidance functions that return the proportion of heavy atoms that are a specific atom type and the molecular weight of the heavy atoms and demonstrate our method's ability to guide the data generation.

cross D-CAPTCHA++: A Study of Resilience of Deepfake CAPTCHA under Transferable Imperceptible Adversarial Attack

Authors: Hong-Hanh Nguyen-Le, Van-Tuan Tran, Dinh-Thuc Nguyen, Nhien-An Le-Khac

Abstract: The advancements in generative AI have enabled the improvement of audio synthesis models, including text-to-speech and voice conversion. This raises concerns about its potential misuse in social manipulation and political interference, as synthetic speech has become indistinguishable from natural human speech. Several speech-generation programs are utilized for malicious purposes, especially impersonating individuals through phone calls. Therefore, detecting fake audio is crucial to maintain social security and safeguard the integrity of information. Recent research has proposed a D-CAPTCHA system based on the challenge-response protocol to differentiate fake phone calls from real ones. In this work, we study the resilience of this system and introduce a more robust version, D-CAPTCHA++, to defend against fake calls. Specifically, we first expose the vulnerability of the D-CAPTCHA system under transferable imperceptible adversarial attack. Secondly, we mitigate such vulnerability by improving the robustness of the system by using adversarial training in D-CAPTCHA deepfake detectors and task classifiers.

cross Revisiting Static Feature-Based Android Malware Detection

Authors: Md Tanvirul Alam, Dipkamal Bhusal, Nidhi Rastogi

Abstract: The increasing reliance on machine learning (ML) in computer security, particularly for malware classification, has driven significant advancements. However, the replicability and reproducibility of these results are often overlooked, leading to challenges in verifying research findings. This paper highlights critical pitfalls that undermine the validity of ML research in Android malware detection, focusing on dataset and methodological issues. We comprehensively analyze Android malware detection using two datasets and assess offline and continual learning settings with six widely used ML models. Our study reveals that when properly tuned, simpler baseline methods can often outperform more complex models. To address reproducibility challenges, we propose solutions for improving datasets and methodological practices, enabling fairer model comparisons. Additionally, we open-source our code to facilitate malware analysis, making it extensible for new models and datasets. Our paper aims to support future research in Android malware detection and other security domains, enhancing the reliability and reproducibility of published results.

cross SoK: Security and Privacy Risks of Medical AI

Authors: Yuanhaur Chang, Han Liu, Evin Jaff, Chenyang Lu, Ning Zhang

Abstract: The integration of technology and healthcare has ushered in a new era where software systems, powered by artificial intelligence and machine learning, have become essential components of medical products and services. While these advancements hold great promise for enhancing patient care and healthcare delivery efficiency, they also expose sensitive medical data and system integrity to potential cyberattacks. This paper explores the security and privacy threats posed by AI/ML applications in healthcare. Through a thorough examination of existing research across a range of medical domains, we have identified significant gaps in understanding the adversarial attacks targeting medical AI systems. By outlining specific adversarial threat models for medical settings and identifying vulnerable application domains, we lay the groundwork for future research that investigates the security and resilience of AI-driven medical systems. Through our analysis of different threat models and feasibility studies on adversarial attacks in different medical domains, we provide compelling insights into the pressing need for cybersecurity research in the rapidly evolving field of AI healthcare technology.

cross Hierarchical Reinforcement Learning for Temporal Abstraction of Listwise Recommendation

Authors: Luo Ji, Gao Liu, Mingyang Yin, Hongxia Yang, Jingren Zhou

Abstract: Modern listwise recommendation systems need to consider both long-term user perceptions and short-term interest shifts. Reinforcement learning can be applied on recommendation to study such a problem but is also subject to large search space, sparse user feedback and long interactive latency. Motivated by recent progress in hierarchical reinforcement learning, we propose a novel framework called mccHRL to provide different levels of temporal abstraction on listwise recommendation. Within the hierarchical framework, the high-level agent studies the evolution of user perception, while the low-level agent produces the item selection policy by modeling the process as a sequential decision-making problem. We argue that such framework has a well-defined decomposition of the outra-session context and the intra-session context, which are encoded by the high-level and low-level agents, respectively. To verify this argument, we implement both a simulator-based environment and an industrial dataset-based experiment. Results observe significant performance improvement by our method, compared with several well-known baselines. Data and codes have been made public.

cross Towards Fairer Health Recommendations: finding informative unbiased samples via Word Sense Disambiguation

Authors: Gavin Butts, Pegah Emdad, Jethro Lee, Shannon Song, Chiman Salavati, Willmar Sosa Diaz, Shiri Dori-Hacohen, Fabricio Murai

Abstract: There have been growing concerns around high-stake applications that rely on models trained with biased data, which consequently produce biased predictions, often harming the most vulnerable. In particular, biased medical data could cause health-related applications and recommender systems to create outputs that jeopardize patient care and widen disparities in health outcomes. A recent framework titled Fairness via AI posits that, instead of attempting to correct model biases, researchers must focus on their root causes by using AI to debias data. Inspired by this framework, we tackle bias detection in medical curricula using NLP models, including LLMs, and evaluate them on a gold standard dataset containing 4,105 excerpts annotated by medical experts for bias from a large corpus. We build on previous work by coauthors which augments the set of negative samples with non-annotated text containing social identifier terms. However, some of these terms, especially those related to race and ethnicity, can carry different meanings (e.g., "white matter of spinal cord"). To address this issue, we propose the use of Word Sense Disambiguation models to refine dataset quality by removing irrelevant sentences. We then evaluate fine-tuned variations of BERT models as well as GPT models with zero- and few-shot prompting. We found LLMs, considered SOTA on many NLP tasks, unsuitable for bias detection, while fine-tuned BERT models generally perform well across all evaluated metrics.

cross Asymptotics of Stochastic Gradient Descent with Dropout Regularization in Linear Models

Authors: Jiaqi Li, Johannes Schmidt-Hieber, Wei Biao Wu

Abstract: This paper proposes an asymptotic theory for online inference of the stochastic gradient descent (SGD) iterates with dropout regularization in linear regression. Specifically, we establish the geometric-moment contraction (GMC) for constant step-size SGD dropout iterates to show the existence of a unique stationary distribution of the dropout recursive function. By the GMC property, we provide quenched central limit theorems (CLT) for the difference between dropout and $\ell^2$-regularized iterates, regardless of initialization. The CLT for the difference between the Ruppert-Polyak averaged SGD (ASGD) with dropout and $\ell^2$-regularized iterates is also presented. Based on these asymptotic normality results, we further introduce an online estimator for the long-run covariance matrix of ASGD dropout to facilitate inference in a recursive manner with efficiency in computational time and memory. The numerical experiments demonstrate that for sufficiently large samples, the proposed confidence intervals for ASGD with dropout nearly achieve the nominal coverage probability.

cross Introducing Perturb-ability Score (PS) to Enhance Robustness Against Evasion Adversarial Attacks on ML-NIDS

Authors: Mohamed elShehaby, Ashraf Matrawy

Abstract: This paper proposes a novel Perturb-ability Score (PS) that can be used to identify Network Intrusion Detection Systems (NIDS) features that can be easily manipulated by attackers in the problem-space. We demonstrate that using PS to select only non-perturb-able features for ML-based NIDS maintains detection performance while enhancing robustness against adversarial attacks.

replace Approximation and generalization properties of the random projection classification method

Authors: Mireille Boutin, Evzenie Coupkova

Abstract: The generalization gap of a classifier is related to the complexity of the set of functions among which the classifier is chosen. We study a family of low-complexity classifiers consisting of thresholding a random one-dimensional feature. The feature is obtained by projecting the data on a random line after embedding it into a higher-dimensional space parametrized by monomials of order up to k. More specifically, the extended data is projected n-times and the best classifier among those n, based on its performance on training data, is chosen. We show that this type of classifier is extremely flexible as, given full knowledge of the class conditional densities, under mild conditions, the error of these classifiers would converge to the optimal (Bayes) error as k and n go to infinity. We also bound the generalization gap of the random classifiers. In general, these bounds are better than those for any classifier with VC dimension greater than O(ln n). In particular, the bounds imply that, unless the number of projections n is extremely large, the generalization gap of the random projection approach is significantly smaller than that of a linear classifier in the extended space. Thus, for certain classification problems (e.g., those with a large Rashomon ratio), there is a potntially large gain in generalization properties by selecting parameters at random, rather than selecting the best one amongst the class.

replace Gradient descent provably escapes saddle points in the training of shallow ReLU networks

Authors: Patrick Cheridito, Arnulf Jentzen, Florian Rossmannek

Abstract: Dynamical systems theory has recently been applied in optimization to prove that gradient descent algorithms bypass so-called strict saddle points of the loss function. However, in many modern machine learning applications, the required regularity conditions are not satisfied. In this paper, we prove a variant of the relevant dynamical systems result, a center-stable manifold theorem, in which we relax some of the regularity requirements. We explore its relevance for various machine learning tasks, with a particular focus on shallow rectified linear unit (ReLU) and leaky ReLU networks with scalar input. Building on a detailed examination of critical points of the square integral loss function for shallow ReLU and leaky ReLU networks relative to an affine target function, we show that gradient descent circumvents most saddle points. Furthermore, we prove convergence to global minima under favourable initialization conditions, quantified by an explicit threshold on the limiting loss.

replace Neural Integral Equations

Authors: Emanuele Zappala, Antonio Henrique de Oliveira Fonseca, Josue Ortega Caro, Andrew Henry Moberly, Michael James Higley, Jessica Cardin, David van Dijk

Abstract: Nonlinear operators with long distance spatiotemporal dependencies are fundamental in modeling complex systems across sciences, yet learning these nonlocal operators remains challenging in machine learning. Integral equations (IEs), which model such nonlocal systems, have wide ranging applications in physics, chemistry, biology, and engineering. We introduce Neural Integral Equations (NIE), a method for learning unknown integral operators from data using an IE solver. To improve scalability and model capacity, we also present Attentional Neural Integral Equations (ANIE), which replaces the integral with self-attention. Both models are grounded in the theory of second kind integral equations, where the indeterminate appears both inside and outside the integral operator. We provide theoretical analysis showing how self-attention can approximate integral operators under mild regularity assumptions, further deepening previously reported connections between transformers and integration, and deriving corresponding approximation results for integral operators. Through numerical benchmarks on synthetic and real world data, including Lotka-Volterra, Navier-Stokes, and Burgers' equations, as well as brain dynamics and integral equations, we showcase the models' capabilities and their ability to derive interpretable dynamics embeddings. Our experiments demonstrate that ANIE outperforms existing methods, especially for longer time intervals and higher dimensional problems. Our work addresses a critical gap in machine learning for nonlocal operators and offers a powerful tool for studying unknown complex systems with long range dependencies.

replace Label Alignment Regularization for Distribution Shift

Authors: Ehsan Imani, Guojun Zhang, Runjia Li, Jun Luo, Pascal Poupart, Philip H. S. Torr, Yangchen Pan

Abstract: Recent work has highlighted the label alignment property (LAP) in supervised learning, where the vector of all labels in the dataset is mostly in the span of the top few singular vectors of the data matrix. Drawing inspiration from this observation, we propose a regularization method for unsupervised domain adaptation that encourages alignment between the predictions in the target domain and its top singular vectors. Unlike conventional domain adaptation approaches that focus on regularizing representations, we instead regularize the classifier to align with the unsupervised target data, guided by the LAP in both the source and target domains. Theoretical analysis demonstrates that, under certain assumptions, our solution resides within the span of the top right singular vectors of the target domain data and aligns with the optimal solution. By removing the reliance on the commonly used optimal joint risk assumption found in classic domain adaptation theory, we showcase the effectiveness of our method on addressing problems where traditional domain adaptation methods often fall short due to high joint error. Additionally, we report improved performance over domain adaptation baselines in well-known tasks such as MNIST-USPS domain adaptation and cross-lingual sentiment analysis.

replace Position Paper: Bridging the Gap Between Machine Learning and Sensitivity Analysis

Authors: Christian A. Scholbeck, Julia Moosbauer, Giuseppe Casalicchio, Hoshin Gupta, Bernd Bischl, Christian Heumann

Abstract: We argue that interpretations of machine learning (ML) models or the model-building process can be seen as a form of sensitivity analysis (SA), a general methodology used to explain complex systems in many fields such as environmental modeling, engineering, or economics. We address both researchers and practitioners, calling attention to the benefits of a unified SA-based view of explanations in ML and the necessity to fully credit related work. We bridge the gap between both fields by formally describing how (a) the ML process is a system suitable for SA, (b) how existing ML interpretation methods relate to this perspective, and (c) how other SA techniques could be applied to ML.

replace Extreme Compression of Large Language Models via Additive Quantization

Authors: Vage Egiazarian, Andrei Panferov, Denis Kuznedelev, Elias Frantar, Artem Babenko, Dan Alistarh

Abstract: The emergence of accurate open large language models (LLMs) has led to a race towards performant quantization techniques which can enable their execution on end-user devices. In this paper, we revisit the problem of "extreme" LLM compression-defined as targeting extremely low bit counts, such as 2 to 3 bits per parameter-from the point of view of classic methods in Multi-Codebook Quantization (MCQ). Our algorithm, called AQLM, generalizes the classic Additive Quantization (AQ) approach for information retrieval to advance the state-of-the-art in LLM compression, via two innovations: 1) learned additive quantization of weight matrices in input-adaptive fashion, and 2) joint optimization of codebook parameters across each transformer blocks. Broadly, AQLM is the first scheme that is Pareto optimal in terms of accuracy-vs-model-size when compressing to less than 3 bits per parameter, and significantly improves upon all known schemes in the extreme compression (2bit) regime. In addition, AQLM is practical: we provide fast GPU and CPU implementations of AQLM for token generation, which enable us to match or outperform optimized FP16 implementations for speed, while executing in a much smaller memory footprint.

replace Explaining Text Classifiers with Counterfactual Representations

Authors: Pirmin Lemberger, Antoine Saillenfest

Abstract: One well motivated explanation method for classifiers leverages counterfactuals which are hypothetical events identical to real observations in all aspects except for one feature. Constructing such counterfactual poses specific challenges for texts, however, as some attribute values may not necessarily align with plausible real-world events. In this paper we propose a simple method for generating counterfactuals by intervening in the space of text representations which bypasses this limitation. We argue that our interventions are minimally disruptive and that they are theoretically sound as they align with counterfactuals as defined in Pearl's causal inference framework. To validate our method, we conducted experiments first on a synthetic dataset and then on a realistic dataset of counterfactuals. This allows for a direct comparison between classifier predictions based on ground truth counterfactuals - obtained through explicit text interventions - and our counterfactuals, derived through interventions in the representation space. Eventually, we study a real world scenario where our counterfactuals can be leveraged both for explaining a classifier and for bias mitigation.

replace Diff-RNTraj: A Structure-aware Diffusion Model for Road Network-constrained Trajectory Generation

Authors: Tonglong Wei, Youfang Lin, Shengnan Guo, Yan Lin, Yiheng Huang, Chenyang Xiang, Yuqing Bai, Huaiyu Wan

Abstract: Trajectory data is essential for various applications as it records the movement of vehicles. However, publicly available trajectory datasets remain limited in scale due to privacy concerns, which hinders the development of trajectory data mining and trajectory-based applications. To address this issue, some methods for generating synthetic trajectories have been proposed to expand the scale of the dataset. However, all existing methods generate trajectories in the geographical coordinate system, which poses two limitations for their utilization in practical applications: 1) the inability to ensure that the generated trajectories are constrained on the road. 2) the lack of road-related information. In this paper, we propose a new problem to meet the practical application need, \emph{i.e.}, road network-constrained trajectory (RNTraj) generation, which can directly generate trajectories on the road network with road-related information. RNTraj is a hybrid type of data, in which each point is represented by a discrete road segment and a continuous moving rate. To generate RNTraj, we design a diffusion model called Diff-RNTraj. This model can effectively handle the hybrid RNTraj using a continuous diffusion framework by incorporating a pre-training strategy to embed hybrid RNTraj into continuous representations. During the sampling stage, a RNTraj decoder is designed to map the continuous representation generated by the diffusion model back to the hybrid RNTraj format. Furthermore, Diff-RNTraj introduces a novel loss function to enhance the spatial validity of the generated trajectories. Extensive experiments conducted on two real-world trajectory datasets demonstrate the effectiveness of the proposed model.

replace MoPE: Parameter-Efficient and Scalable Multimodal Fusion via Mixture of Prompt Experts

Authors: Ruixiang Jiang, Lingbo Liu, Changwen Chen

Abstract: Despite the demonstrated parameter efficiency of prompt-based multimodal fusion methods, their limited adaptivity and expressiveness often result in suboptimal performance compared to other tuning approaches. In this paper, we address these limitations by decomposing the vanilla prompts to adaptively capture instance-level features. Building upon this decomposition, we introduce the mixture of prompt experts (MoPE) technique to enhance the expressiveness of prompt tuning. MoPE leverages multimodal pairing priors to route the most effective prompt on a per-instance basis. Compared to vanilla prompting, our MoPE-based fusion method exhibits greater expressiveness, scaling more effectively with the training data and the overall number of trainable parameters. We also investigate regularization terms for expert routing, which lead to emergent expert specialization during training, paving the way for interpretable soft prompting. Extensive experiments across six multimodal datasets spanning four modalities demonstrate that our method achieves state-of-the-art results for prompt fusion, matching or even surpassing the performance of fine-tuning while requiring only 0.8% of the trainable parameters. Code will be released: https://github.com/songrise/MoPE.

URLs: https://github.com/songrise/MoPE.

replace The Effectiveness of Local Updates for Decentralized Learning under Data Heterogeneity

Authors: Tongle Wu, Ying Sun

Abstract: We revisit two fundamental decentralized optimization methods, Decentralized Gradient Tracking (DGT) and Decentralized Gradient Descent (DGD), with multiple local updates. We consider two settings and demonstrate that incorporating $K > 1$ local update steps can reduce communication complexity. Specifically, for $\mu$-strongly convex and $L$-smooth loss functions, we proved that local DGT achieves communication complexity $\tilde{\mathcal{O}} \Big(\frac{L}{\mu K} + \frac{\delta}{\mu (1 - \rho)} + \frac{\rho }{(1 - \rho)^2} \cdot \frac{L+ \delta}{\mu}\Big)$, where $\rho$ measures the network connectivity and $\delta$ measures the second-order heterogeneity of the local loss. Our result reveals the tradeoff between communication and computation and shows increasing $K$ can effectively reduce communication costs when the data heterogeneity is low and the network is well-connected. We then consider the over-parameterization regime where the local losses share the same minimums, we proved that employing local updates in DGD, even without gradient correction, can yield a similar effect as DGT in reducing communication complexity. Numerical experiments validate our theoretical results.

replace AEGIS: Online Adaptive AI Content Safety Moderation with Ensemble of LLM Experts

Authors: Shaona Ghosh, Prasoon Varshney, Erick Galinkin, Christopher Parisien

Abstract: As Large Language Models (LLMs) and generative AI become more widespread, the content safety risks associated with their use also increase. We find a notable deficiency in high-quality content safety datasets and benchmarks that comprehensively cover a wide range of critical safety areas. To address this, we define a broad content safety risk taxonomy, comprising 13 critical risk and 9 sparse risk categories. Additionally, we curate AEGISSAFETYDATASET, a new dataset of approximately 26, 000 human-LLM interaction instances, complete with human annotations adhering to the taxonomy. We plan to release this dataset to the community to further research and to help benchmark LLM models for safety. To demonstrate the effectiveness of the dataset, we instruction-tune multiple LLM-based safety models. We show that our models (named AEGISSAFETYEXPERTS), not only surpass or perform competitively with the state-of-the-art LLM-based safety models and general purpose LLMs, but also exhibit robustness across multiple jail-break attack categories. We also show how using AEGISSAFETYDATASET during the LLM alignment phase does not negatively impact the performance of the aligned models on MT Bench scores. Furthermore, we propose AEGIS, a novel application of a no-regret online adaptation framework with strong theoretical guarantees, to perform content moderation with an ensemble of LLM content safety experts in deployment

replace Engineering software 2.0 by Interpolating Neural Networks: Unifying Training, Solving, and Calibration

Authors: Chanwook Park, Sourav Saha, Jiachen Guo, Hantao Zhang, Xiaoyu Xie, Miguel A. Bessa, Dong Qian, Wei Chen, Gregory J. Wagner, Jian Cao, Wing Kam Liu

Abstract: The evolution of artificial intelligence (AI) and neural network theories has revolutionized the way software is programmed, shifting from a hard-coded series of codes, Software 1.0, to a vast neural network, Software 2.0. However, this transition in engineering software has faced challenges such as data scarcity, multi-modality of data, low model accuracy, and slow inference. Here, we propose a new network based on interpolation theories and tensor decomposition, the interpolating neural network (INN) to open the new era of Engineering Software 2.0 that unifies training, solving, and calibration. Instead of interpolating training data, a common notion in computer science, INN interpolates grid points in the physical space whose coordinates and values are trainable. INN features orders of magnitude fewer trainable parameters (or degrees of freedom for solving), faster training/solving, less inference cost, smaller memory footprint, and higher model accuracy compared to multi-layer perceptron (MLP) or physics-informed neural networks (PINN). Various numerical experiments that cover computer science and engineering domains demonstrate that INN can solve over Zetta scale (10^{21}) partial differential equations and train/calibrate a dataset with extraordinary accuracy but fewer parameters using only a single graphics processing unit (GPU).

replace On the Scalability of GNNs for Molecular Graphs

Authors: Maciej Sypetkowski, Frederik Wenkel, Farimah Poursafaei, Nia Dickson, Karush Suri, Philip Fradkin, Dominique Beaini

Abstract: Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to the lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules, number of labels, and the diversity in the pretraining datasets. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.

replace Error-Driven Uncertainty Aware Training

Authors: Pedro Mendes, Paolo Romano, David Garlan

Abstract: Neural networks are often overconfident about their predictions, which undermines their reliability and trustworthiness. In this work, we present a novel technique, named Error-Driven Uncertainty Aware Training (EUAT), which aims to enhance the ability of neural classifiers to estimate their uncertainty correctly, namely to be highly uncertain when they output inaccurate predictions and low uncertain when their output is accurate. The EUAT approach operates during the model's training phase by selectively employing two loss functions depending on whether the training examples are correctly or incorrectly predicted by the model. This allows for pursuing the twofold goal of i) minimizing model uncertainty for correctly predicted inputs and ii) maximizing uncertainty for mispredicted inputs, while preserving the model's misprediction rate. We evaluate EUAT using diverse neural models and datasets in the image recognition domains considering both non-adversarial and adversarial settings. The results show that EUAT outperforms existing approaches for uncertainty estimation (including other uncertainty-aware training techniques, calibration, ensembles, and DEUP) by providing uncertainty estimates that not only have higher quality when evaluated via statistical metrics (e.g., correlation with residuals) but also when employed to build binary classifiers that decide whether the model's output can be trusted or not and under distributional data shifts.

replace A Survey of Large Language Models for Graphs

Authors: Xubin Ren, Jiabin Tang, Dawei Yin, Nitesh Chawla, Chao Huang

Abstract: Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction and node classification. Despite these advancements, challenges like data sparsity and limited generalization capabilities continue to persist. Recently, Large Language Models (LLMs) have gained attention in natural language processing. They excel in language comprehension and summarization. Integrating LLMs with graph learning techniques has attracted interest as a way to enhance performance in graph learning tasks. In this survey, we conduct an in-depth review of the latest state-of-the-art LLMs applied in graph learning and introduce a novel taxonomy to categorize existing methods based on their framework design. We detail four unique designs: i) GNNs as Prefix, ii) LLMs as Prefix, iii) LLMs-Graphs Integration, and iv) LLMs-Only, highlighting key methodologies within each category. We explore the strengths and limitations of each framework, and emphasize potential avenues for future research, including overcoming current integration challenges between LLMs and graph learning techniques, and venturing into new application areas. This survey aims to serve as a valuable resource for researchers and practitioners eager to leverage large language models in graph learning, and to inspire continued progress in this dynamic field. We consistently maintain the related open-source materials at \url{https://github.com/HKUDS/Awesome-LLM4Graph-Papers}.

URLs: https://github.com/HKUDS/Awesome-LLM4Graph-Papers

replace A Principled Approach for a New Bias Measure

Authors: Bruno Scarone, Alfredo Viola, Ren\'ee J. Miller, Ricardo Baeza-Yates

Abstract: The widespread use of machine learning and data-driven algorithms for decision making has been steadily increasing over many years. The areas in which this is happening are diverse: healthcare, employment, finance, education, the legal system to name a few; and the associated negative side effects are being increasingly harmful for society. Negative data \emph{bias} is one of those, which tends to result in harmful consequences for specific groups of people. Any mitigation strategy or effective policy that addresses the negative consequences of bias must start with awareness that bias exists, together with a way to understand and quantify it. However, there is a lack of consensus on how to measure data bias and oftentimes the intended meaning is context dependent and not uniform within the research community. The main contributions of our work are: (1) The definition of Uniform Bias (UB), the first bias measure with a clear and simple interpretation in the full range of bias values. (2) A systematic study to characterize the flaws of existing measures in the context of anti employment discrimination rules used by the Office of Federal Contract Compliance Programs, additionally showing how UB solves open problems in this domain. (3) A framework that provides an efficient way to derive a mathematical formula for a bias measure based on an algorithmic specification of bias addition. Our results are experimentally validated using nine publicly available datasets and theoretically analyzed, which provide novel insights about the problem. Based on our approach, we also design a bias mitigation model that might be useful to policymakers.

replace Mamba as Decision Maker: Exploring Multi-scale Sequence Modeling in Offline Reinforcement Learning

Authors: Jiahang Cao, Qiang Zhang, Ziqing Wang, Jingkai Sun, Jiaxu Wang, Hao Cheng, Yecheng Shao, Wen Zhao, Gang Han, Yijie Guo, Renjing Xu

Abstract: Sequential modeling has demonstrated remarkable capabilities in offline reinforcement learning (RL), with Decision Transformer (DT) being one of the most notable representatives, achieving significant success. However, RL trajectories possess unique properties to be distinguished from the conventional sequence (e.g., text or audio): (1) local correlation, where the next states in RL are theoretically determined solely by current states and actions based on the Markov Decision Process (MDP), and (2) global correlation, where each step's features are related to long-term historical information due to the time-continuous nature of trajectories. In this paper, we propose a novel action sequence predictor, named Mamba Decision Maker (MambaDM), where Mamba is expected to be a promising alternative for sequence modeling paradigms, owing to its efficient modeling of multi-scale dependencies. In particular, we introduce a novel mixer module that proficiently extracts and integrates both global and local features of the input sequence, effectively capturing interrelationships in RL datasets. Extensive experiments demonstrate that MambaDM achieves state-of-the-art performance in Atari and OpenAI Gym datasets. Furthermore, we empirically investigate the scaling laws of MambaDM, finding that increasing model size does not bring performance improvement, but scaling the dataset amount by 2x for MambaDM can obtain up to 33.7% score improvement on Atari dataset. This paper delves into the sequence modeling capabilities of MambaDM in the RL domain, paving the way for future advancements in robust and efficient decision-making systems.

replace Adaptive Layer Splitting for Wireless LLM Inference in Edge Computing: A Model-Based Reinforcement Learning Approach

Authors: Yuxuan Chen, Rongpeng Li, Xiaoxue Yu, Zhifeng Zhao, Honggang Zhang

Abstract: Optimizing the deployment of large language models (LLMs) in edge computing environments is critical for enhancing privacy and computational efficiency. Toward efficient wireless LLM inference in edge computing, this study comprehensively analyzes the impact of different splitting points in mainstream open-source LLMs. On this basis, this study introduces a framework taking inspiration from model-based reinforcement learning (MBRL) to determine the optimal splitting point across the edge and user equipment (UE). By incorporating a reward surrogate model, our approach significantly reduces the computational cost of frequent performance evaluations. Extensive simulations demonstrate that this method effectively balances inference performance and computational load under varying network conditions, providing a robust solution for LLM deployment in decentralized settings.

replace Potion: Towards Poison Unlearning

Authors: Stefan Schoepf, Jack Foster, Alexandra Brintrup

Abstract: Adversarial attacks by malicious actors on machine learning systems, such as introducing poison triggers into training datasets, pose significant risks. The challenge in resolving such an attack arises in practice when only a subset of the poisoned data can be identified. This necessitates the development of methods to remove, i.e. unlearn, poison triggers from already trained models with only a subset of the poison data available. The requirements for this task significantly deviate from privacy-focused unlearning where all of the data to be forgotten by the model is known. Previous work has shown that the undiscovered poisoned samples lead to a failure of established unlearning methods, with only one method, Selective Synaptic Dampening (SSD), showing limited success. Even full retraining, after the removal of the identified poison, cannot address this challenge as the undiscovered poison samples lead to a reintroduction of the poison trigger in the model. Our work addresses two key challenges to advance the state of the art in poison unlearning. First, we introduce a novel outlier-resistant method, based on SSD, that significantly improves model protection and unlearning performance. Second, we introduce Poison Trigger Neutralisation (PTN) search, a fast, parallelisable, hyperparameter search that utilises the characteristic "unlearning versus model protection" trade-off to find suitable hyperparameters in settings where the forget set size is unknown and the retain set is contaminated. We benchmark our contributions using ResNet-9 on CIFAR10 and WideResNet-28x10 on CIFAR100. Experimental results show that our method heals 93.72% of poison compared to SSD with 83.41% and full retraining with 40.68%. We achieve this while also lowering the average model accuracy drop caused by unlearning from 5.68% (SSD) to 1.41% (ours).

replace FullCert: Deterministic End-to-End Certification for Training and Inference of Neural Networks

Authors: Tobias Lorenz, Marta Kwiatkowska, Mario Fritz

Abstract: Modern machine learning models are sensitive to the manipulation of both the training data (poisoning attacks) and inference data (adversarial examples). Recognizing this issue, the community has developed many empirical defenses against both attacks and, more recently, certification methods with provable guarantees against inference-time attacks. However, such guarantees are still largely lacking for training-time attacks. In this work, we present FullCert, the first end-to-end certifier with sound, deterministic bounds, which proves robustness against both training-time and inference-time attacks. We first bound all possible perturbations an adversary can make to the training data under the considered threat model. Using these constraints, we bound the perturbations' influence on the model's parameters. Finally, we bound the impact of these parameter changes on the model's prediction, resulting in joint robustness guarantees against poisoning and adversarial examples. To facilitate this novel certification paradigm, we combine our theoretical work with a new open-source library BoundFlow, which enables model training on bounded datasets. We experimentally demonstrate FullCert's feasibility on two datasets.

replace Divide And Conquer: Learning Chaotic Dynamical Systems With Multistep Penalty Neural Ordinary Differential Equations

Authors: Dibyajyoti Chakraborty, Seung Whan Chung, Troy Arcomano, Romit Maulik

Abstract: Forecasting high-dimensional dynamical systems is a fundamental challenge in various fields, such as geosciences and engineering. Neural Ordinary Differential Equations (NODEs), which combine the power of neural networks and numerical solvers, have emerged as a promising algorithm for forecasting complex nonlinear dynamical systems. However, classical techniques used for NODE training are ineffective for learning chaotic dynamical systems. In this work, we propose a novel NODE-training approach that allows for robust learning of chaotic dynamical systems. Our method addresses the challenges of non-convexity and exploding gradients associated with underlying chaotic dynamics. Training data trajectories from such systems are split into multiple, non-overlapping time windows. In addition to the deviation from the training data, the optimization loss term further penalizes the discontinuities of the predicted trajectory between the time windows. The window size is selected based on the fastest Lyapunov time scale of the system. Multi-step penalty(MP) method is first demonstrated on Lorenz equation, to illustrate how it improves the loss landscape and thereby accelerates the optimization convergence. MP method can optimize chaotic systems in a manner similar to least-squares shadowing with significantly lower computational costs. Our proposed algorithm, denoted the Multistep Penalty NODE, is applied to chaotic systems such as the Kuramoto-Sivashinsky equation, the two-dimensional Kolmogorov flow, and ERA5 reanalysis data for the atmosphere. It is observed that MP-NODE provide viable performance for such chaotic systems, not only for short-term trajectory predictions but also for invariant statistics that are hallmarks of the chaotic nature of these dynamics.

replace Amortized Active Learning for Nonparametric Functions

Authors: Cen-You Li, Marc Toussaint, Barbara Rakitsch, Christoph Zimmer

Abstract: Active learning (AL) is a sequential learning scheme aiming to select the most informative data. AL reduces data consumption and avoids the cost of labeling large amounts of data. However, AL trains the model and solves an acquisition optimization for each selection. It becomes expensive when the model training or acquisition optimization is challenging. In this paper, we focus on active nonparametric function learning, where the gold standard Gaussian process (GP) approaches suffer from cubic time complexity. We propose an amortized AL method, where new data are suggested by a neural network which is trained up-front without any real data (Figure 1). Our method avoids repeated model training and requires no acquisition optimization during the AL deployment. We (i) utilize GPs as function priors to construct an AL simulator, (ii) train an AL policy that can zero-shot generalize from simulation to real learning problems of nonparametric functions and (iii) achieve real-time data selection and comparable learning performances to time-consuming baseline methods.

replace Overcoming Uncertain Incompleteness for Robust Multimodal Sequential Diagnosis Prediction via Knowledge Distillation and Random Data Erasing

Authors: Heejoon Koo

Abstract: In this paper, we present NECHO v2, a novel framework designed to enhance the predictive accuracy of multimodal sequential patient diagnoses under uncertain missing visit sequences, a common challenge in real clinical settings. Firstly, we modify NECHO, designed in a diagnosis code-centric fashion, to handle uncertain modality representation dominance under the imperfect data. Secondly, we develop a systematic knowledge distillation by employing the modified NECHO as both teacher and student. It encompasses a modality-wise contrastive and hierarchical distillation, transformer representation random distillation, along with other distillations to align representations between teacher and student tightly and effectively. We also utilise random erasing on individual data points within sequences during both training and distillation of the teacher to lightly simulate scenario with missing visit information, thereby fostering effective knowledge transfer. As a result, NECHO v2 verifies itself by showing robust superiority in multimodal sequential diagnosis prediction under both balanced and imbalanced incomplete settings on multimodal healthcare data.

replace TinyChirp: Bird Song Recognition Using TinyML Models on Low-power Wireless Acoustic Sensors

Authors: Zhaolan Huang, Adrien Tousnakhoff, Polina Kozyr, Roman Rehausen, Felix Bie{\ss}mann, Robert Lachlan, Cedric Adjih, Emmanuel Baccelli

Abstract: Monitoring biodiversity at scale is challenging. Detecting and identifying species in fine grained taxonomies requires highly accurate machine learning (ML) methods. Training such models requires large high quality data sets. And deploying these models to low power devices requires novel compression techniques and model architectures. While species classification methods have profited from novel data sets and advances in ML methods, in particular neural networks, deploying these state of the art models to low power devices remains difficult. Here we present a comprehensive empirical comparison of various tinyML neural network architectures and compression techniques for species classification. We focus on the example of bird song detection, more concretely a data set curated for studying the corn bunting bird species. The data set is released along with all code and experiments of this study. In our experiments we compare predictive performance, memory and time complexity of classical spectrogram based methods and recent approaches operating on raw audio signal. Our results indicate that individual bird species can be robustly detected with relatively simple architectures that can be readily deployed to low power devices.

replace ZNorm: Z-Score Gradient Normalization for Deep Neural Networks

Authors: Juyoung Yun, Hoyoung Kim

Abstract: The rapid advancements in deep learning necessitate better training methods for deep neural networks (DNNs). As models grow in complexity, vanishing and exploding gradients impede performance. We propose Z-Score Normalization for Gradient Descent (ZNorm), an innovative technique that adjusts only the gradients to accelerate training and improve model performance. ZNorm normalizes the overall gradients, providing consistent gradient scaling across layers, thereby reducing the risks of vanishing and exploding gradients, having better performances. Our extensive experiments on CIFAR-10 and medical datasets demonstrate that ZNorm enhances performance metrics. ZNorm consistently outperforms existing methods, achieving superior results using the same experimental settings. In medical imaging applications, ZNorm improves tumor prediction and segmentation performances, underscoring its practical utility. These findings highlight ZNorm's potential as a robust and versatile tool for enhancing the training speed and effectiveness of deep neural networks across a wide range of architectures and applications.

replace Contrastive Learning and Abstract Concepts: The Case of Natural Numbers

Authors: Daniel N. Nissani (Nissensohn)

Abstract: Contrastive Learning (CL) has been successfully applied to classification and other downstream tasks related to concrete concepts, such as objects contained in the ImageNet dataset. No attempts seem to have been made so far in applying this promising scheme to more abstract entities. A prominent example of these could be the concept of (discrete) Quantity. CL can be frequently interpreted as a self-supervised scheme guided by some profound and ubiquitous conservation principle (e.g. conservation of identity in object classification tasks). In this introductory work we apply a suitable conservation principle to the semi-abstract concept of natural numbers by which discrete quantities can be estimated or predicted. We experimentally show, by means of a toy problem, that contrastive learning can be trained to count at a glance with high accuracy both at human as well as at super-human ranges.. We compare this with the results of a trained-to-count at a glance supervised learning (SL) neural network scheme of similar architecture. We show that both schemes exhibit similar good performance on baseline experiments, where the distributions of the training and testing stages are equal. Importantly, we demonstrate that in some generalization scenarios, where training and testing distributions differ, CL boasts more robust and much better error performance.

replace Kolmogorov-Arnold Networks (KAN) for Time Series Classification and Robust Analysis

Authors: Chang Dong, Liangwei Zheng, Weitong Chen

Abstract: Kolmogorov-Arnold Networks (KAN) has recently attracted significant attention as a promising alternative to traditional Multi-Layer Perceptrons (MLP). Despite their theoretical appeal, KAN require validation on large-scale benchmark datasets. Time series data, which has become increasingly prevalent in recent years, especially univariate time series are naturally suited for validating KAN. Therefore, we conducted a fair comparison among KAN, MLP, and mixed structures. The results indicate that KAN can achieve performance comparable to, or even slightly better than, MLP across 128 time series datasets. We also performed an ablation study on KAN, revealing that the output is primarily determined by the base component instead of b-spline function. Furthermore, we assessed the robustness of these models and found that KAN and the hybrid structure MLP\_KAN exhibit significant robustness advantages, attributed to their lower Lipschitz constants. This suggests that KAN and KAN layers hold strong potential to be robust models or to improve the adversarial robustness of other models.

replace Derivative-Free Guidance in Continuous and Discrete Diffusion Models with Soft Value-Based Decoding

Authors: Xiner Li, Yulai Zhao, Chenyu Wang, Gabriele Scalia, Gokcen Eraslan, Surag Nair, Tommaso Biancalani, Aviv Regev, Sergey Levine, Masatoshi Uehara

Abstract: Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (\textit{e.g.}, classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (\textit{e.g.}, classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at \href{https://github.com/masa-ue/SVDD}{https://github.com/masa-ue/SVDD}.

URLs: https://github.com/masa-ue/SVDD, https://github.com/masa-ue/SVDD

replace Exploring Cross-model Neuronal Correlations in the Context of Predicting Model Performance and Generalizability

Authors: Haniyeh Ehsani Oskouie, Lionel Levine, Majid Sarrafzadeh

Abstract: As Artificial Intelligence (AI) models are increasingly integrated into critical systems, the need for a robust framework to establish the trustworthiness of AI is increasingly paramount. While collaborative efforts have established conceptual foundations for such a framework, there remains a significant gap in developing concrete, technically robust methods for assessing AI model quality and performance. A critical drawback in the traditional methods for assessing the validity and generalizability of models is their dependence on internal developer datasets, rendering it challenging to independently assess and verify their performance claims. This paper introduces a novel approach for assessing a newly trained model's performance based on another known model by calculating correlation between neural networks. The proposed method evaluates correlations by determining if, for each neuron in one network, there exists a neuron in the other network that produces similar output. This approach has implications for memory efficiency, allowing for the use of smaller networks when high correlation exists between networks of different sizes. Additionally, the method provides insights into robustness, suggesting that if two highly correlated networks are compared and one demonstrates robustness when operating in production environments, the other is likely to exhibit similar robustness. This contribution advances the technical toolkit for responsible AI, supporting more comprehensive and nuanced evaluations of AI models to ensure their safe and effective deployment. Code is available at https://github.com/aheldis/Cross-model-correlation.git.

URLs: https://github.com/aheldis/Cross-model-correlation.git.

replace On the Improvement of Generalization and Stability of Forward-Only Learning via Neural Polarization

Authors: Erik B. Terres-Escudero, Javier Del Ser, Pablo Garcia-Bringas

Abstract: Forward-only learning algorithms have recently gained attention as alternatives to gradient backpropagation, replacing the backward step of this latter solver with an additional contrastive forward pass. Among these approaches, the so-called Forward-Forward Algorithm (FFA) has been shown to achieve competitive levels of performance in terms of generalization and complexity. Networks trained using FFA learn to contrastively maximize a layer-wise defined goodness score when presented with real data (denoted as positive samples) and to minimize it when processing synthetic data (corr. negative samples). However, this algorithm still faces weaknesses that negatively affect the model accuracy and training stability, primarily due to a gradient imbalance between positive and negative samples. To overcome this issue, in this work we propose a novel implementation of the FFA algorithm, denoted as Polar-FFA, which extends the original formulation by introducing a neural division (\emph{polarization}) between positive and negative instances. Neurons in each of these groups aim to maximize their goodness when presented with their respective data type, thereby creating a symmetric gradient behavior. To empirically gauge the improved learning capabilities of our proposed Polar-FFA, we perform several systematic experiments using different activation and goodness functions over image classification datasets. Our results demonstrate that Polar-FFA outperforms FFA in terms of accuracy and convergence speed. Furthermore, its lower reliance on hyperparameters reduces the need for hyperparameter tuning to guarantee optimal generalization capabilities, thereby allowing for a broader range of neural network configurations.

replace Latent-EnSF: A Latent Ensemble Score Filter for High-Dimensional Data Assimilation with Sparse Observation Data

Authors: Phillip Si, Peng Chen

Abstract: Accurate modeling and prediction of complex physical systems often rely on data assimilation techniques to correct errors inherent in model simulations. Traditional methods like the Ensemble Kalman Filter (EnKF) and its variants as well as the recently developed Ensemble Score Filters (EnSF) face significant challenges when dealing with high-dimensional and nonlinear Bayesian filtering problems with sparse observations, which are ubiquitous in real-world applications. In this paper, we propose a novel data assimilation method, Latent-EnSF, which leverages EnSF with efficient and consistent latent representations of the full states and sparse observations to address the joint challenges of high dimensionlity in states and high sparsity in observations for nonlinear Bayesian filtering. We introduce a coupled Variational Autoencoder (VAE) with two encoders to encode the full states and sparse observations in a consistent way guaranteed by a latent distribution matching and regularization as well as a consistent state reconstruction. With comparison to several methods, we demonstrate the higher accuracy, faster convergence, and higher efficiency of Latent-EnSF for two challenging applications with complex models in shallow water wave propagation and medium-range weather forecasting, for highly sparse observations in both space and time.

replace Semantic-Guided Multimodal Sentiment Decoding with Adversarial Temporal-Invariant Learning

Authors: Guoyang Xu, Junqi Xue, Yuxin Liu, Zirui Wang, Min Zhang, Zhenxi Song, Zhiguo Zhang

Abstract: Multimodal sentiment analysis aims to learn representations from different modalities to identify human emotions. However, existing works often neglect the frame-level redundancy inherent in continuous time series, resulting in incomplete modality representations with noise. To address this issue, we propose temporal-invariant learning for the first time, which constrains the distributional variations over time steps to effectively capture long-term temporal dynamics, thus enhancing the quality of the representations and the robustness of the model. To fully exploit the rich semantic information in textual knowledge, we propose a semantic-guided fusion module. By evaluating the correlations between different modalities, this module facilitates cross-modal interactions gated by modality-invariant representations. Furthermore, we introduce a modality discriminator to disentangle modality-invariant and modality-specific subspaces. Experimental results on two public datasets demonstrate the superiority of our model. Our code is available at https://github.com/X-G-Y/SATI.

URLs: https://github.com/X-G-Y/SATI.

replace Mpox Narrative on Instagram: A Labeled Multilingual Dataset of Instagram Posts on Mpox for Sentiment, Hate Speech, and Anxiety Analysis

Authors: Nirmalya Thakur

Abstract: The world is currently experiencing an outbreak of mpox, which has been declared a Public Health Emergency of International Concern by WHO. No prior work related to social media mining has focused on the development of a dataset of Instagram posts about the mpox outbreak. The work presented in this paper aims to address this research gap and makes two scientific contributions to this field. First, it presents a multilingual dataset of 60,127 Instagram posts about mpox, published between July 23, 2022, and September 5, 2024. The dataset, available at https://dx.doi.org/10.21227/7fvc-y093, contains Instagram posts about mpox in 52 languages. For each of these posts, the Post ID, Post Description, Date of publication, language, and translated version of the post (translation to English was performed using the Google Translate API) are presented as separate attributes in the dataset. After developing this dataset, sentiment analysis, hate speech detection, and anxiety or stress detection were performed. This process included classifying each post into (i) one of the sentiment classes, i.e., fear, surprise, joy, sadness, anger, disgust, or neutral, (ii) hate or not hate, and (iii) anxiety/stress detected or no anxiety/stress detected. These results are presented as separate attributes in the dataset. Second, this paper presents the results of performing sentiment analysis, hate speech analysis, and anxiety or stress analysis. The variation of the sentiment classes - fear, surprise, joy, sadness, anger, disgust, and neutral were observed to be 27.95%, 2.57%, 8.69%, 5.94%, 2.69%, 1.53%, and 50.64%, respectively. In terms of hate speech detection, 95.75% of the posts did not contain hate and the remaining 4.25% of the posts contained hate. Finally, 72.05% of the posts did not indicate any anxiety/stress, and the remaining 27.95% of the posts represented some form of anxiety/stress.

URLs: https://dx.doi.org/10.21227/7fvc-y093,

replace Machine Learning Based Optimal Design of Fibrillar Adhesives

Authors: Mohammad Shojaeifard, Matteo Ferraresso, Alessandro Lucantonio, Mattia Bacca

Abstract: Fibrillar adhesion, observed in animals like beetles, spiders, and geckos, relies on nanoscopic or microscopic fibrils to enhance surface adhesion via 'contact splitting.' This concept has inspired engineering applications across robotics, transportation, and medicine. Recent studies suggest that functional grading of fibril properties can improve adhesion, but this is a complex design challenge that has only been explored in simplified geometries. While machine learning (ML) has gained traction in adhesive design, no previous attempts have targeted fibril-array scale optimization. In this study, we propose an ML-based tool that optimizes the distribution of fibril compliance to maximize adhesive strength. Our tool, featuring two deep neural networks (DNNs), recovers previous design results for simple geometries and introduces novel solutions for complex configurations. The Predictor DNN estimates adhesive strength based on random compliance distributions, while the Designer DNN optimizes compliance for maximum strength using gradient-based optimization. Our method significantly reduces test error and accelerates the optimization process, offering a high-performance solution for designing fibrillar adhesives and micro-architected materials aimed at fracture resistance by achieving equal load sharing (ELS).

replace Ferret: Federated Full-Parameter Tuning at Scale for Large Language Models

Authors: Yao Shu, Wenyang Hu, See-Kiong Ng, Bryan Kian Hsiang Low, Fei Richard Yu

Abstract: Large Language Models (LLMs) have become indispensable in numerous real-world applications. Unfortunately, fine-tuning these models at scale, especially in federated settings where data privacy and communication efficiency are critical, presents significant challenges. Existing methods often resort to parameter-efficient fine-tuning (PEFT) to mitigate communication overhead, but this typically comes at the cost of model accuracy. To address these limitations, we propose federated full-parameter tuning at scale for LLMs (Ferret), the first first-order method with shared randomness to enable scalable full-parameter tuning of LLMs across decentralized data sources while maintaining competitive model accuracy. Ferret accomplishes this through three aspects: (1) it employs widely applied first-order methods for efficient local updates; (2) it projects these updates into a low-dimensional space to considerably reduce communication overhead; and (3) it reconstructs local updates from this low-dimensional space with shared randomness to facilitate effective full-parameter global aggregation, ensuring fast convergence and competitive final performance. Our rigorous theoretical analyses and insights along with extensive experiments, show that Ferret significantly enhances the scalability of existing federated full-parameter tuning approaches by achieving high computational efficiency, reduced communication overhead, and fast convergence, all while maintaining competitive model accuracy. Our implementation is available at https://github.com/allen4747/Ferret.

URLs: https://github.com/allen4747/Ferret.

replace A Machine Learning Based Approach for Statistical Analysis of Detonation Cells from Soot Foils

Authors: Vansh Sharma, Michael Ullman, Venkat Raman

Abstract: This study presents a novel algorithm based on machine learning (ML) for the precise segmentation and measurement of detonation cells from soot foil images, addressing the limitations of manual and primitive edge detection methods prevalent in the field. Using advances in cellular biology segmentation models, the proposed algorithm is designed to accurately extract cellular patterns without a training procedure or dataset, which is a significant challenge in detonation research. The algorithm's performance was validated using a series of test cases that mimic experimental and numerical detonation studies. The results demonstrated consistent accuracy, with errors remaining within 10%, even in complex cases. The algorithm effectively captured key cell metrics such as cell area and span, revealing trends across different soot foil samples with uniform to highly irregular cellular structures. Although the model proved robust, challenges remain in segmenting and analyzing highly complex or irregular cellular patterns. This work highlights the broad applicability and potential of the algorithm to advance the understanding of detonation wave dynamics.

replace-cross Multi-Objective Linear Ensembles for Robust and Sparse Training of Few-Bit Neural Networks

Authors: Ambrogio Maria Bernardelli, Stefano Gualandi, Hoong Chuin Lau, Simone Milanesi, Neil Yorke-Smith

Abstract: Training neural networks (NNs) using combinatorial optimization solvers has gained attention in recent years. In low-data settings, state-of-the-art mixed integer linear programming solvers can train exactly a NN, avoiding intensive GPU-based training and hyper-parameter tuning and simultaneously training and sparsifying the network. We study the case of few-bit discrete-valued neural networks, both Binarized Neural Networks (BNNs), whose values are restricted to +-1, and Integer Neural Networks (INNs), whose values lie in a range {-P, ..., P}. Few-bit NNs receive increasing recognition due to their lightweight architecture and ability to run on low-power devices. This paper proposes new methods to improve the training of BNNs and INNs. Our contribution is a multi-objective ensemble approach based on training a single NN for each possible pair of classes and applying a majority voting scheme to predict the final output. Our approach results in training robust sparsified networks whose output is not affected by small perturbations on the input and whose number of active weights is as small as possible. We compare this BeMi approach to the current state-of-the-art in solver-based NN training and gradient-based training, focusing on BNN learning in few-shot contexts. We compare the benefits and drawbacks of INNs versus BNNs, bringing new light to the distribution of weights over the {-P, ..., P} interval. Finally, we compare multi-objective versus single-objective training of INNs, showing that robustness and network simplicity can be acquired simultaneously, thus obtaining better test performances. While the previous state-of-the-art approaches achieve an average accuracy of 51.1% on the MNIST dataset, the BeMi ensemble approach achieves an average accuracy of 68.4% when trained with 10 images per class and 81.8% when trained with 40 images per class, having up to 75.3% NN links removed.

replace-cross The Principle of Uncertain Maximum Entropy

Authors: Kenneth Bogert, Matthew Kothe

Abstract: The principle of maximum entropy is a well-established technique for choosing a distribution that matches available information while minimizing bias. It finds broad use across scientific disciplines and in machine learning. However, the principle as defined by is susceptible to noise and error in observations. This forces real-world practitioners to use relaxed versions of the principle in an ad hoc way, negatively impacting interpretation. To address this situation, we present a new principle we call uncertain maximum entropy that generalizes the classic principle and provides interpretable solutions irrespective of the observational methods in use. We introduce a convex approximation and expectation-maximization based algorithm for finding solutions to our new principle. Finally, we contrast this new technique with two simpler generally applicable solutions theoretically and experimentally show our technique provides superior accuracy.

replace-cross The Integration of Prediction and Planning in Deep Learning Automated Driving Systems: A Review

Authors: Steffen Hagedorn, Marcel Hallgarten, Martin Stoll, Alexandru Condurache

Abstract: Automated driving has the potential to revolutionize personal, public, and freight mobility. Beside accurately perceiving the environment, automated vehicles must plan a safe, comfortable, and efficient motion trajectory. To promote safety and progress, many works rely on modules that predict the future motion of surrounding traffic. Modular automated driving systems commonly handle prediction and planning as sequential, separate tasks. While this accounts for the influence of surrounding traffic on the ego vehicle, it fails to anticipate the reactions of traffic participants to the ego vehicle's behavior. Recent methods increasingly integrate prediction and planning in a joint or interdependent step to model bidirectional interactions. To date, a comprehensive overview of different integration principles is lacking. We systematically review state-of-the-art deep learning-based planning systems, and focus on how they integrate prediction. Different facets of the integration ranging from system architecture to high-level behavioral aspects are considered and related to each other. Moreover, we discuss the implications, strengths, and limitations of different integration principles. By pointing out research gaps, describing relevant future challenges, and highlighting trends in the research field, we identify promising directions for future research.

replace-cross Parallel-in-Time Probabilistic Numerical ODE Solvers

Authors: Nathanael Bosch, Adrien Corenflos, Fatemeh Yaghoobi, Filip Tronarp, Philipp Hennig, Simo S\"arkk\"a

Abstract: Probabilistic numerical solvers for ordinary differential equations (ODEs) treat the numerical simulation of dynamical systems as problems of Bayesian state estimation. Aside from producing posterior distributions over ODE solutions and thereby quantifying the numerical approximation error of the method itself, one less-often noted advantage of this formalism is the algorithmic flexibility gained by formulating numerical simulation in the framework of Bayesian filtering and smoothing. In this paper, we leverage this flexibility and build on the time-parallel formulation of iterated extended Kalman smoothers to formulate a parallel-in-time probabilistic numerical ODE solver. Instead of simulating the dynamical system sequentially in time, as done by current probabilistic solvers, the proposed method processes all time steps in parallel and thereby reduces the span cost from linear to logarithmic in the number of time steps. We demonstrate the effectiveness of our approach on a variety of ODEs and compare it to a range of both classic and probabilistic numerical ODE solvers.

replace-cross Explainable Identification of Hate Speech towards Islam using Graph Neural Networks

Authors: Azmine Toushik Wasi

Abstract: Islamophobic language on online platforms fosters intolerance, making detection and elimination crucial for promoting harmony. Traditional hate speech detection models rely on NLP techniques like tokenization, part-of-speech tagging, and encoder-decoder models. However, Graph Neural Networks (GNNs), with their ability to utilize relationships between data points, offer more effective detection and greater explainability. In this work, we represent speeches as nodes and connect them with edges based on their context and similarity to develop the graph. This study introduces a novel paradigm using GNNs to identify and explain hate speech towards Islam. Our model leverages GNNs to understand the context and patterns of hate speech by connecting texts via pretrained NLP-generated word embeddings, achieving state-of-the-art performance and enhancing detection accuracy while providing valuable explanations. This highlights the potential of GNNs in combating online hate speech and fostering a safer, more inclusive online environment.

replace-cross Using ResNet to Utilize 4-class T2-FLAIR Slice Classification Based on the Cholinergic Pathways Hyperintensities Scale for Pathological Aging

Authors: Wei-Chun Kevin Tsai, Yi-Chien Liu, Ming-Chun Yu, Chia-Ju Chou, Sui-Hing Yan, Yang-Teng Fan, Yan-Hsiang Huang, Yen-Ling Chiu, Yi-Fang Chuang, Ran-Zan Wang, Yao-Chia Shih

Abstract: The Cholinergic Pathways Hyperintensities Scale (CHIPS) is a visual rating scale used to assess the extent of cholinergic white matter hyperintensities in T2-FLAIR images, serving as an indicator of dementia severity. However, the manual selection of four specific slices for rating throughout the entire brain is a time-consuming process. Our goal was to develop a deep learning-based model capable of automatically identifying the four slices relevant to CHIPS. To achieve this, we trained a 4-class slice classification model (BSCA) using the ADNI T2-FLAIR dataset (N=150) with the assistance of ResNet. Subsequently, we tested the model's performance on a local dataset (N=30). The results demonstrated the efficacy of our model, with an accuracy of 99.82% and an F1-score of 99.83%. This achievement highlights the potential impact of BSCA as an automatic screening tool, streamlining the selection of four specific T2-FLAIR slices that encompass white matter landmarks along the cholinergic pathways. Clinicians can leverage this tool to assess the risk of clinical dementia development efficiently.

replace-cross Moderating Model Marketplaces: Platform Governance Puzzles for AI Intermediaries

Authors: Robert Gorwa, Michael Veale

Abstract: The AI development community is increasingly making use of hosting intermediaries such as Hugging Face provide easy access to user-uploaded models and training data. These model marketplaces lower technical deployment barriers for hundreds of thousands of users, yet can be used in numerous potentially harmful and illegal ways. In this article, we explain ways in which AI systems, which can both `contain' content and be open-ended tools, present one of the trickiest platform governance challenges seen to date. We provide case studies of several incidents across three illustrative platforms -- Hugging Face, GitHub and Civitai -- to examine how model marketplaces moderate models. Building on this analysis, we outline important (and yet nevertheless limited) practices that industry has been developing to respond to moderation demands: licensing, access and use restrictions, automated content moderation, and open policy development. While the policy challenge at hand is a considerable one, we conclude with some ideas as to how platforms could better mobilize resources to act as a careful, fair, and proportionate regulatory access point.

replace-cross Towards Efficient Vision-Language Tuning: More Information Density, More Generalizability

Authors: Tianxiang Hao, Mengyao Lyu, Hui Chen, Sicheng Zhao, Xiaohan Ding, Jungong Han, Guiguang Ding

Abstract: With the advancement of large pre-trained vision-language models, effectively transferring the knowledge embedded within these foundational models to downstream tasks has become a pivotal topic, particularly in data-scarce environments. Recently, parameter-efficient fine-tuning approaches, especially prompt tuning, have garnered considerable attention. To better understand the nature of prompt tuning, we propose the concept of ``Information Density'' (ID) to indicate whether a matrix strongly belongs to certain feature spaces rather than being evenly distributed across various feature spaces. We suppose a higher ID with strong bias across some feature spaces naturally leads to excellent robustness and stability. Our research, inspired by the observation that generalizability is closely linked to the information density of the prompt matrix, introduces the Dense Information Prompt (DIP). DIP aims to enhance information density to improve generalization. Furthermore, DIP significantly reduces the number of tunable parameters and the requisite storage space, making it particularly advantageous in resource-constrained settings. Comprehensive experiments substantiate the superiority of DIP. Notably, DIP surpasses the latest state-of-the-art methods by a substantial margin with an exceptionally small parameter count. Across a range of tasks spanning 11 datasets, DIP improves the average downstream accuracy of classic prompt tuning by up to 5.76% using merely 0.5K parameters.

replace-cross Explaining Learned Reward Functions with Counterfactual Trajectories

Authors: Jan Wehner, Frans Oliehoek, Luciano Cavalcante Siebert

Abstract: Learning rewards from human behaviour or feedback is a promising approach to aligning AI systems with human values but fails to consistently extract correct reward functions. Interpretability tools could enable users to understand and evaluate possible flaws in learned reward functions. We propose Counterfactual Trajectory Explanations (CTEs) to interpret reward functions in reinforcement learning by contrasting an original with a counterfactual partial trajectory and the rewards they each receive. We derive six quality criteria for CTEs and propose a novel Monte-Carlo-based algorithm for generating CTEs that optimises these quality criteria. Finally, we measure how informative the generated explanations are to a proxy-human model by training it on CTEs. CTEs are demonstrably informative for the proxy-human model, increasing the similarity between its predictions and the reward function on unseen trajectories. Further, it learns to accurately judge differences in rewards between trajectories and generalises to out-of-distribution examples. Although CTEs do not lead to a perfect understanding of the reward, our method, and more generally the adaptation of XAI methods, are presented as a fruitful approach for interpreting learned reward functions.

replace-cross WebLINX: Real-World Website Navigation with Multi-Turn Dialogue

Authors: Xing Han L\`u, Zden\v{e}k Kasner, Siva Reddy

Abstract: We propose the problem of conversational web navigation, where a digital agent controls a web browser and follows user instructions to solve real-world tasks in a multi-turn dialogue fashion. To support this problem, we introduce WEBLINX - a large-scale benchmark of 100K interactions across 2300 expert demonstrations of conversational web navigation. Our benchmark covers a broad range of patterns on over 150 real-world websites and can be used to train and evaluate agents in diverse scenarios. Due to the magnitude of information present, Large Language Models (LLMs) cannot process entire web pages in real-time. To solve this bottleneck, we design a retrieval-inspired model that efficiently prunes HTML pages by ranking relevant elements. We use the selected elements, along with screenshots and action history, to assess a variety of models for their ability to replicate human behavior when navigating the web. Our experiments span from small text-only to proprietary multimodal LLMs. We find that smaller finetuned decoders surpass the best zero-shot LLMs (including GPT-4V), but also larger finetuned multimodal models which were explicitly pretrained on screenshots. However, all finetuned models struggle to generalize to unseen websites. Our findings highlight the need for large multimodal models that can generalize to novel settings. Our code, data and models are available for research: https://mcgill-nlp.github.io/weblinx

URLs: https://mcgill-nlp.github.io/weblinx

replace-cross TREC: APT Tactic / Technique Recognition via Few-Shot Provenance Subgraph Learning

Authors: Mingqi Lv, HongZhe Gao, Xuebo Qiu, Tieming Chen, Tiantian Zhu, Jinyin Chen, Shouling Ji

Abstract: APT (Advanced Persistent Threat) with the characteristics of persistence, stealth, and diversity is one of the greatest threats against cyber-infrastructure. As a countermeasure, existing studies leverage provenance graphs to capture the complex relations between system entities in a host for effective APT detection. In addition to detecting single attack events as most existing work does, understanding the tactics / techniques (e.g., Kill-Chain, ATT&CK) applied to organize and accomplish the APT attack campaign is more important for security operations. Existing studies try to manually design a set of rules to map low-level system events to high-level APT tactics / techniques. However, the rule based methods are coarse-grained and lack generalization ability, thus they can only recognize APT tactics and cannot identify fine-grained APT techniques and mutant APT attacks. In this paper, we propose TREC, the first attempt to recognize APT tactics / techniques from provenance graphs by exploiting deep learning techniques. To address the "needle in a haystack" problem, TREC segments small and compact subgraphs covering individual APT technique instances from a large provenance graph based on a malicious node detection model and a subgraph sampling algorithm. To address the "training sample scarcity" problem, TREC trains the APT tactic / technique recognition model in a few-shot learning manner by adopting a Siamese neural network. We evaluate TREC based on a customized dataset collected and made public by our team. The experiment results show that TREC significantly outperforms state-of-the-art systems in APT tactic recognition and TREC can also effectively identify APT techniques.

replace-cross Learning to Generate Instruction Tuning Datasets for Zero-Shot Task Adaptation

Authors: Nihal V. Nayak, Yiyang Nan, Avi Trost, Stephen H. Bach

Abstract: We introduce Bonito, an open-source model for conditional task generation that converts unannotated text into task-specific training datasets for instruction tuning. We aim to enable zero-shot task adaptation of large language models on users' specialized, private data. We train Bonito by fine-tuning a pretrained large language model on a new large-scale dataset with 1.65M examples created by remixing existing instruction tuning datasets into meta-templates. The meta-templates for a dataset produce training examples where the input is the unannotated text and the task attribute and the output consists of the instruction and the response. We use Bonito to generate synthetic tasks for seven datasets from specialized domains with unannotated text across three task types -- yes-no question answering, extractive question answering, and natural language inference -- and adapt language models. We show that Bonito significantly improves the average performance of pretrained and instruction tuned models over the de facto self supervised baseline. For example, adapting Mistral-Instruct-v2 and instruction tuned variants of Mistral and Llama2 with Bonito improves the strong zero-shot performance by 22.1 F1 points whereas the next word prediction objective undoes some of the benefits of instruction tuning and reduces the average performance by 0.8 F1 points. We conduct additional experiments with Bonito to understand the effects of the domain, the size of the training set, and the choice of alternative synthetic task generators. Overall, we show that learning with synthetic instruction tuning datasets is an effective way to adapt language models to new domains. The model, dataset, and code are available at https://github.com/BatsResearch/bonito.

URLs: https://github.com/BatsResearch/bonito.

replace-cross LHU-Net: A Light Hybrid U-Net for Cost-Efficient, High-Performance Volumetric Medical Image Segmentation

Authors: Yousef Sadegheih, Afshin Bozorgpour, Pratibha Kumari, Reza Azad, Dorit Merhof

Abstract: The rise of Transformer architectures has revolutionized medical image segmentation, leading to hybrid models that combine Convolutional Neural Networks (CNNs) and Transformers for enhanced accuracy. However, these models often suffer from increased complexity and overlook the interplay between spatial and channel features, which is vital for segmentation precision. We introduce LHU-Net, a streamlined Hybrid U-Net for volumetric medical image segmentation, designed to first analyze spatial and then channel features for effective feature extraction. Tested on five benchmark datasets (Synapse, LA, Pancreas, ACDC, BRaTS 2018), LHU-Net demonstrated superior efficiency and accuracy, notably achieving a 92.66 Dice score on ACDC with 85\% fewer parameters and a quarter of the computational demand compared to leading models. This performance, achieved without pre-training, extra data, or model ensembles, sets new benchmarks for computational efficiency and accuracy in segmentation, using under 11 million parameters. This achievement highlights that balancing computational efficiency with high accuracy in medical image segmentation is feasible. Our implementation of LHU-Net is freely accessible to the research community on GitHub (https://github.com/xmindflow/LHUNet).

URLs: https://github.com/xmindflow/LHUNet).

replace-cross Breast Cancer Image Classification Method Based on Deep Transfer Learning

Authors: Weimin Wang, Yufeng Li, Xu Yan, Mingxuan Xiao, Min Gao

Abstract: To address the issues of limited samples, time-consuming feature design, and low accuracy in detection and classification of breast cancer pathological images, a breast cancer image classification model algorithm combining deep learning and transfer learning is proposed. This algorithm is based on the DenseNet structure of deep neural networks, and constructs a network model by introducing attention mechanisms, and trains the enhanced dataset using multi-level transfer learning. Experimental results demonstrate that the algorithm achieves an efficiency of over 84.0\% in the test set, with a significantly improved classification accuracy compared to previous models, making it applicable to medical breast cancer detection tasks.

replace-cross RetinaRegNet: A Zero-Shot Approach for Retinal Image Registration

Authors: Vishal Balaji Sivaraman, Muhammad Imran, Qingyue Wei, Preethika Muralidharan, Michelle R. Tamplin, Isabella M . Grumbach, Randy H. Kardon, Jui-Kai Wang, Yuyin Zhou, Wei Shao

Abstract: We introduce RetinaRegNet, a zero-shot image registration model designed to register retinal images with minimal overlap, large deformations, and varying image quality. RetinaRegNet addresses these challenges and achieves robust and accurate registration through the following steps. First, we extract features from the moving and fixed images using latent diffusion models. We then sample feature points from the fixed image using a combination of the SIFT algorithm and random point sampling. For each sampled point, we identify its corresponding point in the moving image using a 2D correlation map, which computes the cosine similarity between the diffusion feature vectors of the point in the fixed image and all pixels in the moving image. Second, we eliminate most incorrectly detected point correspondences (outliers) by enforcing an inverse consistency constraint, ensuring that correspondences are consistent in both forward and backward directions. We further remove outliers with large distances between corresponding points using a global transformation based outlier detector. Finally, we implement a two-stage registration framework to handle large deformations. The first stage estimates a homography transformation to achieve global alignment between the images, while the second stage uses a third-order polynomial transformation to estimate local deformations. We evaluated RetinaRegNet on three retinal image registration datasets: color fundus images, fluorescein angiography images, and laser speckle flowgraphy images. Our model consistently outperformed state-of-the-art methods across all datasets. The accurate registration achieved by RetinaRegNet enables the tracking of eye disease progression, enhances surgical planning, and facilitates the evaluation of treatment efficacy. Our code is publicly available at: https://github.com/mirthAI/RetinaRegNet.

URLs: https://github.com/mirthAI/RetinaRegNet.

replace-cross COCOLA: Coherence-Oriented Contrastive Learning of Musical Audio Representations

Authors: Ruben Ciranni, Giorgio Mariani, Michele Mancusi, Emilian Postolache, Giorgio Fabbro, Emanuele Rodol\`a, Luca Cosmo

Abstract: We present COCOLA (Coherence-Oriented Contrastive Learning for Audio), a contrastive learning method for musical audio representations that captures the harmonic and rhythmic coherence between samples. Our method operates at the level of the stems composing music tracks and can input features obtained via Harmonic-Percussive Separation (HPS). COCOLA allows the objective evaluation of generative models for music accompaniment generation, which are difficult to benchmark with established metrics. In this regard, we evaluate recent music accompaniment generation models, demonstrating the effectiveness of the proposed method. We release the model checkpoints trained on public datasets containing separate stems (MUSDB18-HQ, MoisesDB, Slakh2100, and CocoChorales).

replace-cross Variational Bayesian Methods for a Tree-Structured Stick-Breaking Process Mixture of Gaussians by Application of the Bayes Codes for Context Tree Models

Authors: Yuta Nakahara

Abstract: The tree-structured stick-breaking process (TS-SBP) mixture model is a non-parametric Bayesian model that can represent tree-like hierarchical structures among the mixture components. For TS-SBP mixture models, only a Markov chain Monte Carlo (MCMC) method has been proposed and any variational Bayesian (VB) methods has not been proposed. In general, MCMC methods are computationally more expensive than VB methods. Therefore, we require a large computational cost to learn the TS-SBP mixture model. In this paper, we propose a learning algorithm with less computational cost for the TS-SBP mixture of Gaussians by using the VB method under an assumption of finite tree width and depth. When constructing such VB method, the main challenge is efficient calculation of a sum over all possible trees. To solve this challenge, we utilizes a subroutine in the Bayes coding algorithm for context tree models. We confirm the computational efficiency of our VB method through an experiments on a benchmark dataset.

replace-cross ProFLingo: A Fingerprinting-based Intellectual Property Protection Scheme for Large Language Models

Authors: Heng Jin, Chaoyu Zhang, Shanghao Shi, Wenjing Lou, Y. Thomas Hou

Abstract: Large language models (LLMs) have attracted significant attention in recent years. Due to their "Large" nature, training LLMs from scratch consumes immense computational resources. Since several major players in the artificial intelligence (AI) field have open-sourced their original LLMs, an increasing number of individuals and smaller companies are able to build derivative LLMs based on these open-sourced models at much lower costs. However, this practice opens up possibilities for unauthorized use or reproduction that may not comply with licensing agreements, and fine-tuning can change the model's behavior, thus complicating the determination of model ownership. Current intellectual property (IP) protection schemes for LLMs are either designed for white-box settings or require additional modifications to the original model, which restricts their use in real-world settings. In this paper, we propose ProFLingo, a black-box fingerprinting-based IP protection scheme for LLMs. ProFLingo generates queries that elicit specific responses from an original model, thereby establishing unique fingerprints. Our scheme assesses the effectiveness of these queries on a suspect model to determine whether it has been derived from the original model. ProFLingo offers a non-invasive approach, which neither requires knowledge of the suspect model nor modifications to the base model or its training process. To the best of our knowledge, our method represents the first black-box fingerprinting technique for IP protection for LLMs. Our source code and generated queries are available at: https://github.com/hengvt/ProFLingo.

URLs: https://github.com/hengvt/ProFLingo.

replace-cross Sim2Real Transfer for Audio-Visual Navigation with Frequency-Adaptive Acoustic Field Prediction

Authors: Changan Chen, Jordi Ramos, Anshul Tomar, Kristen Grauman

Abstract: Sim2real transfer has received increasing attention lately due to the success of learning robotic tasks in simulation end-to-end. While there has been a lot of progress in transferring vision-based navigation policies, the existing sim2real strategy for audio-visual navigation performs data augmentation empirically without measuring the acoustic gap. The sound differs from light in that it spans across much wider frequencies and thus requires a different solution for sim2real. We propose the first treatment of sim2real for audio-visual navigation by disentangling it into acoustic field prediction (AFP) and waypoint navigation. We first validate our design choice in the SoundSpaces simulator and show improvement on the Continuous AudioGoal navigation benchmark. We then collect real-world data to measure the spectral difference between the simulation and the real world by training AFP models that only take a specific frequency subband as input. We further propose a frequency-adaptive strategy that intelligently selects the best frequency band for prediction based on both the measured spectral difference and the energy distribution of the received audio, which improves the performance on the real data. Lastly, we build a real robot platform and show that the transferred policy can successfully navigate to sounding objects. This work demonstrates the potential of building intelligent agents that can see, hear, and act entirely from simulation, and transferring them to the real world.

replace-cross Naturalistic Music Decoding from EEG Data via Latent Diffusion Models

Authors: Emilian Postolache, Natalia Polouliakh, Hiroaki Kitano, Akima Connelly, Emanuele Rodol\`a, Luca Cosmo, 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. 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.

replace-cross Detecting 5G Narrowband Jammers with CNN, k-nearest Neighbors, and Support Vector Machines

Authors: Matteo Varotto, Florian Heinrichs, Timo Schuerg, Stefano Tomasin, Stefan Valentin

Abstract: 5G cellular networks are particularly vulnerable against narrowband jammers that target specific control sub-channels in the radio signal. One mitigation approach is to detect such jamming attacks with an online observation system, based on machine learning. We propose to detect jamming at the physical layer with a pre-trained machine learning model that performs binary classification. Based on data from an experimental 5G network, we study the performance of different classification models. A convolutional neural network will be compared to support vector machines and k-nearest neighbors, where the last two methods are combined with principal component analysis. The obtained results show substantial differences in terms of classification accuracy and computation time.

replace-cross Text-guided Controllable Mesh Refinement for Interactive 3D Modeling

Authors: Yun-Chun Chen, Selena Ling, Zhiqin Chen, Vladimir G. Kim, Matheus Gadelha, Alec Jacobson

Abstract: We propose a novel technique for adding geometric details to an input coarse 3D mesh guided by a text prompt. Our method is composed of three stages. First, we generate a single-view RGB image conditioned on the input coarse geometry and the input text prompt. This single-view image generation step allows the user to pre-visualize the result and offers stronger conditioning for subsequent multi-view generation. Second, we use our novel multi-view normal generation architecture to jointly generate six different views of the normal images. The joint view generation reduces inconsistencies and leads to sharper details. Third, we optimize our mesh with respect to all views and generate a fine, detailed geometry as output. The resulting method produces an output within seconds and offers explicit user control over the coarse structure, pose, and desired details of the resulting 3D mesh.

replace-cross Lossless Image Compression Using Multi-level Dictionaries: Binary Images

Authors: Samar Agnihotri, Renu Rameshan, Ritwik Ghosal

Abstract: Lossless image compression is required in various applications to reduce storage or transmission costs of images, while requiring the reconstructed images to have zero information loss compared to the original. Existing lossless image compression methods either have simple design but poor compression performance, or complex design, better performance, but with no performance guarantees. In our endeavor to develop a lossless image compression method with low complexity and guaranteed performance, we argue that compressibility of a color image is essentially derived from the patterns in its spatial structure, intensity variations, and color variations. Thus, we divide the overall design of a lossless image compression scheme into three parts that exploit corresponding redundancies. We further argue that the binarized version of an image captures its fundamental spatial structure. In this first part of our work, we propose a scheme for lossless compression of binary images. The proposed scheme first learns dictionaries of $16\times16$, $8\times8$, $4\times4$, and $2\times 2$ square pixel patterns from various datasets of binary images. It then uses these dictionaries to encode binary images. These dictionaries have various interesting properties that are further exploited to construct an efficient and scalable scheme. Our preliminary results show that the proposed scheme consistently outperforms existing conventional and learning based lossless compression approaches, and provides, on average, as much as $1.5\times$ better performance than a common general purpose lossless compression scheme (WebP), more than $3\times$ better performance than a state of the art learning based scheme, and better performance than a specialized scheme for binary image compression (JBIG2).

replace-cross EXTRACT: Efficient Policy Learning by Extracting Transferable Robot Skills from Offline Data

Authors: Jesse Zhang, Minho Heo, Zuxin Liu, Erdem Biyik, Joseph J Lim, Yao Liu, Rasool Fakoor

Abstract: Most reinforcement learning (RL) methods focus on learning optimal policies over low-level action spaces. While these methods can perform well in their training environments, they lack the flexibility to transfer to new tasks. Instead, RL agents that can act over useful, temporally extended skills rather than low-level actions can learn new tasks more easily. Prior work in skill-based RL either requires expert supervision to define useful skills, which is hard to scale, or learns a skill-space from offline data with heuristics that limit the adaptability of the skills, making them difficult to transfer during downstream RL. Our approach, EXTRACT, instead utilizes pre-trained vision language models to extract a discrete set of semantically meaningful skills from offline data, each of which is parameterized by continuous arguments, without human supervision. This skill parameterization allows robots to learn new tasks by only needing to learn when to select a specific skill and how to modify its arguments for the specific task. We demonstrate through experiments in sparse-reward, image-based, robot manipulation environments that EXTRACT can more quickly learn new tasks than prior works, with major gains in sample efficiency and performance over prior skill-based RL. Website at https://www.jessezhang.net/projects/extract/.

URLs: https://www.jessezhang.net/projects/extract/.

replace-cross Towards Complete Causal Explanation with Expert Knowledge

Authors: Aparajithan Venkateswaran, Emilija Perkovi\'c

Abstract: We study the problem of restricting a Markov equivalence class of maximal ancestral graphs (MAGs) to only those MAGs that contain certain edge marks, which we refer to as expert knowledge. Such a restriction of the Markov equivalence class can be uniquely represented by a restricted essential ancestral graph. Our contributions are several-fold. First, we prove certain properties for the entire Markov equivalence class including a conjecture from Ali et al. (2009). Second, we present several new sound graphical orientation rules for adding expert knowledge to an essential ancestral graph. We also show that some orientation rules of Zhang (2008b) are not needed for restricting the Markov equivalence class with expert knowledge. Third, we provide an algorithm for including this expert knowledge and show that in certain settings the output of our algorithm is a restricted essential ancestral graph. Finally, outside of the specified settings, we provide an algorithm for checking whether a graph is a restricted essential graph and discuss its runtime. This work can be seen as a generalization of Meek (1995) to settings which allow for latent confounding.

replace-cross SoftCVI: Contrastive variational inference with self-generated soft labels

Authors: Daniel Ward, Mark Beaumont, Matteo Fasiolo

Abstract: Estimating a distribution given access to its unnormalized density is pivotal in Bayesian inference, where the posterior is generally known only up to an unknown normalizing constant. Variational inference and Markov chain Monte Carlo methods are the predominant tools for this task; however, both are often challenging to apply reliably, particularly when the posterior has complex geometry. Here, we introduce Soft Contrastive Variational Inference (SoftCVI), which allows a family of variational objectives to be derived through a contrastive estimation framework. The approach parameterizes a classifier in terms of a variational distribution, reframing the inference task as a contrastive estimation problem aiming to identify a single true posterior sample among a set of samples. Despite this framing, we do not require positive or negative samples, but rather learn by sampling the variational distribution and computing ground truth soft classification labels from the unnormalized posterior itself. The objectives have zero variance gradient when the variational approximation is exact, without the need for specialized gradient estimators. We empirically investigate the performance on a variety of Bayesian inference tasks, using both simple (e.g. normal) and expressive (normalizing flow) variational distributions. We find that SoftCVI can be used to form objectives which are stable to train and mass-covering, frequently outperforming inference with other variational approaches.

replace-cross ScaleLLM: A Resource-Frugal LLM Serving Framework by Optimizing End-to-End Efficiency

Authors: Yuhang Yao, Han Jin, Alay Dilipbhai Shah, Shanshan Han, Zijian Hu, Yide Ran, Dimitris Stripelis, Zhaozhuo Xu, Salman Avestimehr, Chaoyang He

Abstract: Large language models (LLMs) have surged in popularity and are extensively used in commercial applications, where the efficiency of model serving is crucial for the user experience. Most current research focuses on optimizing individual sub-procedures, e.g. local inference and communication, however, there is no comprehensive framework that provides a holistic system view for optimizing LLM serving in an end-to-end manner. In this work, we conduct a detailed analysis to identify major bottlenecks that impact end-to-end latency in LLM serving systems. Our analysis reveals that a comprehensive LLM serving endpoint must address a series of efficiency bottlenecks that extend beyond LLM inference. We then propose ScaleLLM, an optimized system for resource-efficient LLM serving. Our extensive experiments reveal that with 64 concurrent requests, ScaleLLM achieves a 4.3x speed up over vLLM and outperforms state-of-the-arts with 1.5x higher throughput.

replace-cross Non-convex matrix sensing: Breaking the quadratic rank barrier in the sample complexity

Authors: Dominik St\"oger, Yizhe Zhu

Abstract: For the problem of reconstructing a low-rank matrix from a few linear measurements, two classes of algorithms have been widely studied in the literature: convex approaches based on nuclear norm minimization, and non-convex approaches that use factorized gradient descent. Under certain statistical model assumptions, it is known that nuclear norm minimization recovers the ground truth as soon as the number of samples scales linearly with the number of degrees of freedom of the ground-truth. In contrast, while non-convex approaches are computationally less expensive, existing recovery guarantees assume that the number of samples scales at least quadratically with the rank $r$ of the ground-truth matrix. In this paper, we close this gap by showing that the non-convex approaches can be as efficient as nuclear norm minimization in terms of sample complexity. Namely, we consider the problem of reconstructing a positive semidefinite matrix from a few Gaussian measurements. We show that factorized gradient descent with spectral initialization converges to the ground truth with a linear rate as soon as the number of samples scales with $ \Omega (rd\kappa^2)$, where $d$ is the dimension, and $\kappa$ is the condition number of the ground truth matrix. This improves the previous rank-dependence in the sample complexity of non-convex matrix factorization from quadratic to linear. Our proof relies on a probabilistic decoupling argument, where we show that the gradient descent iterates are only weakly dependent on the individual entries of the measurement matrices. We expect that our proof technique is of independent interest for other non-convex problems.

replace-cross CLIBE: Detecting Dynamic Backdoors in Transformer-based NLP Models

Authors: Rui Zeng, Xi Chen, Yuwen Pu, Xuhong Zhang, Tianyu Du, Shouling Ji

Abstract: Backdoors can be injected into NLP models to induce misbehavior when the input text contains a specific feature, known as a trigger, which the attacker secretly selects. Unlike fixed words, phrases, or sentences used in the static text trigger, NLP dynamic backdoor attacks design triggers associated with abstract and latent text features, making them considerably stealthier than traditional static backdoor attacks. However, existing research on NLP backdoor detection primarily focuses on defending against static backdoor attacks, while detecting dynamic backdoors in NLP models remains largely unexplored. This paper presents CLIBE, the first framework to detect dynamic backdoors in Transformer-based NLP models. CLIBE injects a "few-shot perturbation" into the suspect Transformer model by crafting optimized weight perturbation in the attention layers to make the perturbed model classify a limited number of reference samples as a target label. Subsequently, CLIBE leverages the generalization ability of this few-shot perturbation to determine whether the original model contains a dynamic backdoor. Extensive evaluation on three advanced NLP dynamic backdoor attacks, two widely-used Transformer frameworks, and four real-world classification tasks strongly validates the effectiveness of CLIBE. We also demonstrate the robustness of CLIBE against various adaptive attacks. Furthermore, we employ CLIBE to scrutinize 49 popular Transformer models on Hugging Face and discover one exhibiting a high probability of containing a dynamic backdoor. We have contacted Hugging Face and provided detailed evidence of this model's backdoor behavior. Moreover, we extend CLIBE to detect backdoor text generation models modified to exhibit toxic behavior. To the best of our knowledge, CLIBE is the first framework capable of detecting backdoors in text generation models without access to trigger input test samples.

replace-cross Graphons of Line Graphs

Authors: Sevvandi Kandanaarachchi, Cheng Soon Ong

Abstract: We consider the problem of estimating graph limits, known as graphons, from observations of sequences of sparse finite graphs. In this paper we show a simple method that can shed light on a subset of sparse graphs. The method involves mapping the original graphs to their line graphs. We show that graphs satisfying a particular property, which we call the square-degree property are sparse, but give rise to dense line graphs. This enables the use of results on graph limits of dense graphs to derive convergence. In particular, star graphs satisfy the square-degree property resulting in dense line graphs and non-zero graphons of line graphs. We demonstrate empirically that we can distinguish different numbers of stars (which are sparse) by the graphons of their corresponding line graphs. Whereas in the original graphs, the different number of stars all converge to the zero graphon due to sparsity. Similarly, superlinear preferential attachment graphs give rise to dense line graphs almost surely. In contrast, dense graphs, including Erdos-Renyi graphs make the line graphs sparse, resulting in the zero graphon.

replace-cross Application of Langevin Dynamics to Advance the Quantum Natural Gradient Optimization Algorithm

Authors: Oleksandr Borysenko, Mykhailo Bratchenko, Ilya Lukin, Mykola Luhanko, Ihor Omelchenko, Andrii Sotnikov, Alessandro Lomi

Abstract: A Quantum Natural Gradient (QNG) algorithm for optimization of variational quantum circuits has been proposed recently. In this study, we employ the Langevin equation with a QNG stochastic force to demonstrate that its discrete-time solution gives a generalized form of the above-specified algorithm, which we call Momentum-QNG. Similar to other optimization algorithms with the momentum term, such as the Stochastic Gradient Descent with momentum, RMSProp with momentum and Adam, Momentum-QNG is more effective to escape local minima and plateaus in the variational parameter space and, therefore, achieves a better convergence behavior compared to the basic QNG. Our open-source code is available at https://github.com/borbysh/Momentum-QNG

URLs: https://github.com/borbysh/Momentum-QNG

replace-cross SmileyLlama: Modifying Large Language Models for Directed Chemical Space Exploration

Authors: Joseph M. Cavanagh, Kunyang Sun, Andrew Gritsevskiy, Dorian Bagni, Thomas D. Bannister, Teresa Head-Gordon

Abstract: Here we show that a Large Language Model (LLM) can serve as a foundation model for a Chemical Language Model (CLM) which performs at or above the level of CLMs trained solely on chemical SMILES string data. Using supervised fine-tuning (SFT) and direct preference optimization (DPO) on the open-source Llama LLM, we demonstrate that we can train an LLM to respond to prompts such as generating molecules with properties of interest to drug development. This overall framework allows an LLM to not just be a chatbot client for chemistry and materials tasks, but can be adapted to speak more directly as a CLM which can generate molecules with user-specified properties.

replace-cross Exploring Low-Dimensional Subspaces in Diffusion Models for Controllable Image Editing

Authors: Siyi Chen, Huijie Zhang, Minzhe Guo, Yifu Lu, Peng Wang, Qing Qu

Abstract: Recently, diffusion models have emerged as a powerful class of generative models. Despite their success, there is still limited understanding of their semantic spaces. This makes it challenging to achieve precise and disentangled image generation without additional training, especially in an unsupervised way. In this work, we improve the understanding of their semantic spaces from intriguing observations: among a certain range of noise levels, (1) the learned posterior mean predictor (PMP) in the diffusion model is locally linear, and (2) the singular vectors of its Jacobian lie in low-dimensional semantic subspaces. We provide a solid theoretical basis to justify the linearity and low-rankness in the PMP. These insights allow us to propose an unsupervised, single-step, training-free LOw-rank COntrollable image editing (LOCO Edit) method for precise local editing in diffusion models. LOCO Edit identified editing directions with nice properties: homogeneity, transferability, composability, and linearity. These properties of LOCO Edit benefit greatly from the low-dimensional semantic subspace. Our method can further be extended to unsupervised or text-supervised editing in various text-to-image diffusion models (T-LOCO Edit). Finally, extensive empirical experiments demonstrate the effectiveness and efficiency of LOCO Edit. The codes will be released at https://github.com/ChicyChen/LOCO-Edit.

URLs: https://github.com/ChicyChen/LOCO-Edit.

replace-cross Explicit Mutual Information Maximization for Self-Supervised Learning

Authors: Lele Chang, Peilin Liu, Qinghai Guo, Fei Wen

Abstract: Recently, self-supervised learning (SSL) has been extensively studied. Theoretically, mutual information maximization (MIM) is an optimal criterion for SSL, with a strong theoretical foundation in information theory. However, it is difficult to directly apply MIM in SSL since the data distribution is not analytically available in applications. In practice, many existing methods can be viewed as approximate implementations of the MIM criterion. This work shows that, based on the invariance property of MI, explicit MI maximization can be applied to SSL under a generic distribution assumption, i.e., a relaxed condition of the data distribution. We further illustrate this by analyzing the generalized Gaussian distribution. Based on this result, we derive a loss function based on the MIM criterion using only second-order statistics. We implement the new loss for SSL and demonstrate its effectiveness via extensive experiments.

replace-cross Real-Time Human Action Recognition on Embedded Platforms

Authors: Ruiqi Wang, Zichen Wang, Peiqi Gao, Mingzhen Li, Jaehwan Jeong, Yihang Xu, Yejin Lee, Carolyn M. Baum, Lisa Tabor Connor, Chenyang Lu

Abstract: With advancements in computer vision and deep learning, video-based human action recognition (HAR) has become practical. However, due to the complexity of the computation pipeline, running HAR on live video streams incurs excessive delays on embedded platforms. This work tackles the real-time performance challenges of HAR with four contributions: 1) an experimental study identifying a standard Optical Flow (OF) extraction technique as the latency bottleneck in a state-of-the-art HAR pipeline, 2) an exploration of the latency-accuracy tradeoff between the standard and deep learning approaches to OF extraction, which highlights the need for a novel, efficient motion feature extractor, 3) the design of Integrated Motion Feature Extractor (IMFE), a novel single-shot neural network architecture for motion feature extraction with drastic improvement in latency, 4) the development of RT-HARE, a real-time HAR system tailored for embedded platforms. Experimental results on an Nvidia Jetson Xavier NX platform demonstrated that RT-HARE realizes real-time HAR at a video frame rate of 30 frames per second while delivering high levels of recognition accuracy.

replace-cross CF-KAN: Kolmogorov-Arnold Network-based Collaborative Filtering to Mitigate Catastrophic Forgetting in Recommender Systems

Authors: Jin-Duk Park, Kyung-Min Kim, Won-Yong Shin

Abstract: Collaborative filtering (CF) remains essential in recommender systems, leveraging user--item interactions to provide personalized recommendations. Meanwhile, a number of CF techniques have evolved into sophisticated model architectures based on multi-layer perceptrons (MLPs). However, MLPs often suffer from catastrophic forgetting, and thus lose previously acquired knowledge when new information is learned, particularly in dynamic environments requiring continual learning. To tackle this problem, we propose CF-KAN, a new CF method utilizing Kolmogorov-Arnold networks (KANs). By learning nonlinear functions on the edge level, KANs are more robust to the catastrophic forgetting problem than MLPs. Built upon a KAN-based autoencoder, CF-KAN is designed in the sense of effectively capturing the intricacies of sparse user--item interactions and retaining information from previous data instances. Despite its simplicity, our extensive experiments demonstrate 1) CF-KAN's superiority over state-of-the-art methods in recommendation accuracy, 2) CF-KAN's resilience to catastrophic forgetting, underscoring its effectiveness in both static and dynamic recommendation scenarios, and 3) CF-KAN's edge-level interpretation facilitating the explainability of recommendations.

replace-cross MTDA-HSED: Mutual-Assistance Tuning and Dual-Branch Aggregating for Heterogeneous Sound Event Detection

Authors: Zehao Wang, Haobo Yue, Zhicheng Zhang, Da Mu, Jin Tang, Jianqin Yin

Abstract: Sound Event Detection (SED) plays a vital role in comprehending and perceiving acoustic scenes. Previous methods have demonstrated impressive capabilities. However, they are deficient in learning features of complex scenes from heterogeneous dataset. In this paper, we introduce a novel dual-branch architecture named Mutual-Assistance Tuning and Dual-Branch Aggregating for Heterogeneous Sound Event Detection (MTDA-HSED). The MTDA-HSED architecture employs the Mutual-Assistance Audio Adapter (M3A) to effectively tackle the multi-scenario problem and uses the Dual-Branch Mid-Fusion (DBMF) module to tackle the multi-granularity problem. Specifically, M3A is integrated into the BEATs block as an adapter to improve the BEATs' performance by fine-tuning it on the multi-scenario dataset. The DBMF module connects BEATs and CNN branches, which facilitates the deep fusion of information from the BEATs and the CNN branches. Experimental results show that the proposed methods exceed the baseline of mpAUC by \textbf{$5\%$} on the DESED and MAESTRO Real datasets. Code is available at https://github.com/Visitor-W/MTDA.

URLs: https://github.com/Visitor-W/MTDA.

replace-cross Modified Meta-Thompson Sampling for Linear Bandits and Its Bayes Regret Analysis

Authors: Hao Li, Dong Liang, Zheng Xie

Abstract: Meta-learning is characterized by its ability to learn how to learn, enabling the adaptation of learning strategies across different tasks. Recent research introduced the Meta-Thompson Sampling (Meta-TS), which meta-learns an unknown prior distribution sampled from a meta-prior by interacting with bandit instances drawn from it. However, its analysis was limited to Gaussian bandit. The contextual multi-armed bandit framework is an extension of the Gaussian Bandit, which challenges agent to utilize context vectors to predict the most valuable arms, optimally balancing exploration and exploitation to minimize regret over time. This paper introduces Meta-TSLB algorithm, a modified Meta-TS for linear contextual bandits. We theoretically analyze Meta-TSLB and derive an $ O((m+\log(m))\sqrt{n\log(n)})$ bound on its Bayes regret, in which $m$ represents the number of bandit instances, and $n$ the number of rounds of Thompson Sampling. Additionally, our work complements the analysis of Meta-TS for linear contextual bandits. The performance of Meta-TSLB is evaluated experimentally under different settings, and we experimente and analyze the generalization capability of Meta-TSLB, showcasing its potential to adapt to unseen instances.