Authors: Ritik Mishra, Mushir Akhtar, M. Tanveer
Abstract: Restricted kernel machines (RKMs) represent a versatile and powerful framework within the kernel machine family, leveraging conjugate feature duality to address a wide range of machine learning tasks, including classification, regression, and feature learning. However, their performance can degrade significantly in the presence of noise and outliers, which compromises robustness and predictive accuracy. In this paper, we propose a novel enhancement to the RKM framework by integrating a class-informed weighted function. This weighting mechanism dynamically adjusts the contribution of individual training points based on their proximity to class centers and class-specific characteristics, thereby mitigating the adverse effects of noisy and outlier data. By incorporating weighted conjugate feature duality and leveraging the Schur complement theorem, we introduce the class-informed restricted kernel machine (CI-RKM), a robust extension of the RKM designed to improve generalization and resilience to data imperfections. Experimental evaluations on benchmark datasets demonstrate that the proposed CI-RKM consistently outperforms existing baselines, achieving superior classification accuracy and enhanced robustness against noise and outliers. Our proposed method establishes a significant advancement in the development of kernel-based learning models, addressing a core challenge in the field.
Authors: Chang Liu, Emmanuel A. Olowe, Danial Chitnis
Abstract: The design of Analog and Mixed-Signal (AMS) integrated circuits (ICs) often involves significant manual effort, especially during the transistor sizing process. While Machine Learning techniques in Electronic Design Automation (EDA) have shown promise in reducing complexity and minimizing human intervention, they still face challenges such as numerous iterations and a lack of knowledge about AMS circuit design. Recently, Large Language Models (LLMs) have demonstrated significant potential across various fields, showing a certain level of knowledge in circuit design and indicating their potential to automate the transistor sizing process. In this work, we propose an LLM-based AI agent for AMS circuit design to assist in the sizing process. By integrating LLMs with external circuit simulation tools and data analysis functions and employing prompt engineering strategies, the agent successfully optimized multiple circuits to achieve target performance metrics. We evaluated the performance of different LLMs to assess their applicability and optimization effectiveness across seven basic circuits, and selected the best-performing model Claude 3.5 Sonnet for further exploration on an operational amplifier, with complementary input stage and class AB output stage. This circuit was evaluated against nine performance metrics, and we conducted experiments under three distinct performance requirement groups. A success rate of up to 60% was achieved for reaching the target requirements. Overall, this work demonstrates the potential of LLMs to improve AMS circuit design.
Authors: Hongliang Lu, Shuqi Shen, Junjie Yang, Chao Lu, Xinhu Zheng, Hai Yang
Abstract: More than the adherence to specific traffic regulations, driving culture touches upon a more implicit part - an informal, conventional, collective behavioral pattern followed by drivers - that varies across countries, regions, and even cities. Such cultural divergence has become one of the biggest challenges in deploying autonomous vehicles (AVs) across diverse regions today. The current emergence of data-driven methods has shown a potential solution to enable culture-compatible driving through learning from data, but what if some underdeveloped regions cannot provide sufficient local data to inform driving culture? This issue is particularly significant for a broader global AV market. Here, we propose a cross-cultural deployment scheme for AVs, called data-light inverse reinforcement learning, designed to re-calibrate culture-specific AVs and assimilate them into other cultures. First, we report the divergence in driving cultures through a comprehensive comparative analysis of naturalistic driving datasets on highways from three countries: Germany, China, and the USA. Then, we demonstrate the effectiveness of our scheme by testing the expeditious cross-cultural deployment across these three countries, with cumulative testing mileage of over 56084 km. The performance is particularly advantageous when cross-cultural deployment is carried out without affluent local data. Results show that we can reduce the dependence on local data by a margin of 98.67% at best. This study is expected to bring a broader, fairer AV global market, particularly in those regions that lack enough local data to develop culture-compatible AVs.
Authors: Clement Nyanhongo, Bruno Miranda Henrique, Eugene Santos
Abstract: Reward comparisons are vital for evaluating differences in agent behaviors induced by a set of reward functions. Most conventional techniques utilize the input reward functions to learn optimized policies, which are then used to compare agent behaviors. However, learning these policies can be computationally expensive and can also raise safety concerns. Direct reward comparison techniques obviate policy learning but suffer from transition sparsity, where only a small subset of transitions are sampled due to data collection challenges and feasibility constraints. Existing state-of-the-art direct reward comparison methods are ill-suited for these sparse conditions since they require high transition coverage, where the majority of transitions from a given coverage distribution are sampled. When this requirement is not satisfied, a distribution mismatch between sampled and expected transitions can occur, leading to significant errors. This paper introduces the Sparsity Resilient Reward Distance (SRRD) pseudometric, designed to eliminate the need for high transition coverage by accommodating diverse sample distributions, which are common under transition sparsity. We provide theoretical justification for SRRD's robustness and conduct experiments to demonstrate its practical efficacy across multiple domains.
Authors: Flint Xiaofeng Fan, Cheston Tan, Roger Wattenhofer, Yew-Soon Ong
Abstract: The rise of reinforcement learning (RL) in critical real-world applications demands a fundamental rethinking of privacy in AI systems. Traditional privacy frameworks, designed to protect isolated data points, fall short for sequential decision-making systems where sensitive information emerges from temporal patterns, behavioral strategies, and collaborative dynamics. Modern RL paradigms, such as federated RL (FedRL) and RL with human feedback (RLHF) in large language models (LLMs), exacerbate these challenges by introducing complex, interactive, and context-dependent learning environments that traditional methods do not address. In this position paper, we argue for a new privacy paradigm built on four core principles: multi-scale protection, behavioral pattern protection, collaborative privacy preservation, and context-aware adaptation. These principles expose inherent tensions between privacy, utility, and interpretability that must be navigated as RL systems become more pervasive in high-stakes domains like healthcare, autonomous vehicles, and decision support systems powered by LLMs. To tackle these challenges, we call for the development of new theoretical frameworks, practical mechanisms, and rigorous evaluation methodologies that collectively enable effective privacy protection in sequential decision-making systems.
Authors: Wonjun Yi, Yong-Hwa Park
Abstract: This work introduces a multi-output classification (MOC) framework designed for domain adaptation in fault diagnosis, particularly under partially labeled (PL) target domain scenarios and compound fault conditions in rotating machinery. Unlike traditional multi-class classification (MCC) methods that treat each fault combination as a distinct class, the proposed approach independently estimates the severity of each fault type, improving both interpretability and diagnostic accuracy. The model incorporates multi-kernel maximum mean discrepancy (MK-MMD) and entropy minimization (EM) losses to facilitate feature transfer from the source to the target domain. In addition, frequency layer normalization (FLN) is applied to preserve structural properties in the frequency domain, which are strongly influenced by system dynamics and are often stationary with respect to changes in rpm. Evaluations across six domain adaptation cases with PL data demonstrate that MOC outperforms baseline models in macro F1 score. Moreover, MOC consistently achieves better classification performance for individual fault types, and FLN shows superior adaptability compared to other normalization techniques.
Authors: Wei-Jer Chang, Wei Zhan, Masayoshi Tomizuka, Manmohan Chandraker, Francesco Pittaluga
Abstract: Evaluating autonomous vehicles with controllability enables scalable testing in counterfactual or structured settings, enhancing both efficiency and safety. We introduce LangTraj, a language-conditioned scene-diffusion model that simulates the joint behavior of all agents in traffic scenarios. By conditioning on natural language inputs, LangTraj provides flexible and intuitive control over interactive behaviors, generating nuanced and realistic scenarios. Unlike prior approaches that depend on domain-specific guidance functions, LangTraj incorporates language conditioning during training, facilitating more intuitive traffic simulation control. We propose a novel closed-loop training strategy for diffusion models, explicitly tailored to enhance stability and realism during closed-loop simulation. To support language-conditioned simulation, we develop Inter-Drive, a large-scale dataset with diverse and interactive labels for training language-conditioned diffusion models. Our dataset is built upon a scalable pipeline for annotating agent-agent interactions and single-agent behaviors, ensuring rich and varied supervision. Validated on the Waymo Motion Dataset, LangTraj demonstrates strong performance in realism, language controllability, and language-conditioned safety-critical simulation, establishing a new paradigm for flexible and scalable autonomous vehicle testing.
Authors: Mete Erdogan, Cengiz Pehlevan, Alper T. Erdogan
Abstract: We introduce the Error Broadcast and Decorrelation (EBD) algorithm, a novel learning framework that addresses the credit assignment problem in neural networks by directly broadcasting output error to individual layers. Leveraging the stochastic orthogonality property of the optimal minimum mean square error (MMSE) estimator, EBD defines layerwise loss functions to penalize correlations between layer activations and output errors, offering a principled approach to error broadcasting without the need for weight transport. The optimization framework naturally leads to the experimentally observed three-factor learning rule and integrates with biologically plausible frameworks to enhance performance and plausibility. Numerical experiments demonstrate that EBD achieves performance comparable to or better than known error-broadcast methods on benchmark datasets. While the scalability of EBD to very large or complex datasets remains to be further explored, our findings suggest it provides a biologically plausible, efficient, and adaptable alternative for neural network training. This approach could inform future advancements in artificial and natural learning paradigms.
Authors: Mert Sehri, Igor Varej\~ao, Zehui Hua, Vitor Bonella, Adriano Santos, Francisco de Assis Boldt, Patrick Dumond, Flavio Miguel Varej\~ao
Abstract: ImageNet has become a reputable resource for transfer learning, allowing the development of efficient ML models with reduced training time and data requirements. However, vibration analysis in predictive maintenance, structural health monitoring, and fault diagnosis, lacks a comparable large-scale, annotated dataset to facilitate similar advancements. To address this, a dataset framework is proposed that begins with bearing vibration data as an initial step towards creating a universal dataset for vibration-based spectrogram analysis for all machinery. The initial framework includes a collection of bearing vibration signals from various publicly available datasets. To demonstrate the advantages of this framework, experiments were conducted using a deep learning architecture, showing improvements in model performance when pre-trained on bearing vibration data and fine-tuned on a smaller, domain-specific dataset. These findings highlight the potential to parallel the success of ImageNet in visual computing but for vibration analysis. For future work, this research will include a broader range of vibration signals from multiple types of machinery, emphasizing spectrogram-based representations of the data. Each sample will be labeled according to machinery type, operational status, and the presence or type of faults, ensuring its utility for supervised and unsupervised learning tasks. Additionally, a framework for data preprocessing, feature extraction, and model training specific to vibration data will be developed. This framework will standardize methodologies across the research community, allowing for collaboration and accelerating progress in predictive maintenance, structural health monitoring, and related fields. By mirroring the success of ImageNet in visual computing, this dataset has the potential to improve the development of intelligent systems in industrial applications.
Authors: Bruno Giorgio
Abstract: Reinforcement learning (RL) has emerged as a powerful paradigm for solving decision-making problems in dynamic environments. In this research, we explore the application of Double DQN (DDQN) and Dueling Network Architectures, to financial trading tasks using historical SP500 index data. Our focus is training agents capable of optimizing trading strategies while accounting for practical constraints such as transaction costs. The study evaluates the model performance across scenarios with and without commissions, highlighting the impact of cost-sensitive environments on reward dynamics. Despite computational limitations and the inherent complexity of financial time series data, the agent successfully learned meaningful trading policies. The findings confirm that RL agents, even when trained on limited datasets, can outperform random strategies by leveraging advanced architectures such as DDQN and Dueling Networks. However, significant challenges persist, particularly with a sub-optimal policy due to the complexity of data source.
Authors: Jinsung Jeon, Jaehyeon Park, Sewon Park, Jeongwhan Choi, Minjung Kim, Noseong Park
Abstract: Time-series anomaly detection, which detects errors and failures in a workflow, is one of the most important topics in real-world applications. The purpose of time-series anomaly detection is to reduce potential damages or losses. However, existing anomaly detection models detect anomalies through the error between the model output and the ground truth (observed) value, which makes them impractical. In this work, we present a \textit{proactive} approach for time-series anomaly detection based on a time-series forecasting model specialized for anomaly detection and a data-driven anomaly detection model. Our proactive approach establishes an anomaly threshold from training data with a data-driven anomaly detection model, and anomalies are subsequently detected by identifying predicted values that exceed the anomaly threshold. In addition, we extensively evaluated the model using four anomaly detection benchmarks and analyzed both predictable and unpredictable anomalies. We attached the source code as supplementary material.
Authors: Feng Zhu, Aritra Mitra, Robert W. Heath
Abstract: Motivated by collaborative reinforcement learning (RL) and optimization with time-correlated data, we study a generic federated stochastic approximation problem involving $M$ agents, where each agent is characterized by an agent-specific (potentially nonlinear) local operator. The goal is for the agents to communicate intermittently via a server to find the root of the average of the agents' local operators. The generality of our setting stems from allowing for (i) Markovian data at each agent and (ii) heterogeneity in the roots of the agents' local operators. The limited recent work that has accounted for both these features in a federated setting fails to guarantee convergence to the desired point or to show any benefit of collaboration; furthermore, they rely on projection steps in their algorithms to guarantee bounded iterates. Our work overcomes each of these limitations. We develop a novel algorithm titled \texttt{FedHSA}, and prove that it guarantees convergence to the correct point, while enjoying an $M$-fold linear speedup in sample-complexity due to collaboration. To our knowledge, \emph{this is the first finite-time result of its kind}, and establishing it (without relying on a projection step) entails a fairly intricate argument that accounts for the interplay between complex temporal correlations due to Markovian sampling, multiple local steps to save communication, and the drift-effects induced by heterogeneous local operators. Our results have implications for a broad class of heterogeneous federated RL problems (e.g., policy evaluation and control) with function approximation, where the agents' Markov decision processes can differ in their probability transition kernels and reward functions.
Authors: Tianyi Zhang, Yang Sui, Shaochen Zhong, Vipin Chaudhary, Xia Hu, Anshumali Shrivastava
Abstract: Large Language Models (LLMs) have grown rapidly in size, creating significant challenges for efficient deployment on resource-constrained hardware. In this paper, we introduce Dynamic-Length Float (DFloat11), a lossless compression framework that reduces LLM size by 30% while preserving outputs that are bit-for-bit identical to the original model. DFloat11 is motivated by the low entropy in the BFloat16 weight representation of LLMs, which reveals significant inefficiency in existing storage format. By applying entropy coding, DFloat11 assigns dynamic-length encodings to weights based on frequency, achieving near information-optimal compression without any loss of precision. To facilitate efficient inference with dynamic-length encodings, we develop a custom GPU kernel for fast online decompression. Our design incorporates the following: (i) decomposition of memory-intensive lookup tables (LUTs) into compact LUTs that fit in GPU SRAM, (ii) a two-phase kernel for coordinating thread read/write positions using lightweight auxiliary variables, and (iii) transformer-block-level decompression to minimize latency. Experiments on recent models, including Llama-3.1, Qwen-2.5, and Gemma-3, validates our hypothesis that DFloat11 achieves around 30% model size reduction while preserving bit-for-bit exact outputs. Compared to a potential alternative of offloading parts of an uncompressed model to the CPU to meet memory constraints, DFloat11 achieves 1.9-38.8x higher throughput in token generation. With a fixed GPU memory budget, DFloat11 enables 5.3-13.17x longer context lengths than uncompressed models. Notably, our method enables lossless inference of Llama-3.1-405B, an 810GB model, on a single node equipped with 8x80GB GPUs. Our code and models are available at https://github.com/LeanModels/DFloat11.
Authors: Rui Xue, Tianfu Wu
Abstract: Graph Neural Networks (GNNs) struggle to balance heterophily and homophily in representation learning, a challenge further amplified in self-supervised settings. We propose H$^3$GNNs, an end-to-end self-supervised learning framework that harmonizes both structural properties through two key innovations: (i) Joint Structural Node Encoding. We embed nodes into a unified space combining linear and non-linear feature projections with K-hop structural representations via a Weighted Graph Convolution Network(WGCN). A cross-attention mechanism enhances awareness and adaptability to heterophily and homophily. (ii) Self-Supervised Learning Using Teacher-Student Predictive Architectures with Node-Difficulty Driven Dynamic Masking Strategies. We use a teacher-student model, the student sees the masked input graph and predicts node features inferred by the teacher that sees the full input graph in the joint encoding space. To enhance learning difficulty, we introduce two novel node-predictive-difficulty-based masking strategies. Experiments on seven benchmarks (four heterophily datasets and three homophily datasets) confirm the effectiveness and efficiency of H$^3$GNNs across diverse graph types. Our H$^3$GNNs achieves overall state-of-the-art performance on the four heterophily datasets, while retaining on-par performance to previous state-of-the-art methods on the three homophily datasets.
Authors: Dorottya Zelenyanszki, Zhe Hou, Kamanashis Biswas, Vallipuram Muthukkumarasamy
Abstract: Decentralised applications (dApps) that run on public blockchains have the benefit of trustworthiness and transparency as every activity that happens on the blockchain can be publicly traced through the transaction data. However, this introduces a potential privacy problem as this data can be tracked and analysed, which can reveal user-behaviour information. A user behaviour analysis pipeline was proposed to present how this type of information can be extracted and analysed to identify separate behavioural clusters that can describe how users behave in the game. The pipeline starts with the collection of transaction data, involving smart contracts, that is collected from a blockchain-based game called Planet IX. Both the raw transaction information and the transaction events are considered in the data collection. From this data, separate game actions can be formed and those are leveraged to present how and when the users conducted their in-game activities in the form of user flows. An extended version of these user flows also presents how the Non-Fungible Tokens (NFTs) are being leveraged in the user actions. The latter is given as input for a Graph Neural Network (GNN) model to provide graph embeddings for these flows which then can be leveraged by clustering algorithms to cluster user behaviours into separate behavioural clusters. We benchmark and compare well-known clustering algorithms as a part of the proposed method. The user behaviour clusters were analysed and visualised in a graph format. It was found that behavioural information can be extracted regarding the users that belong to these clusters. Such information can be exploited by malicious users to their advantage. To demonstrate this, a privacy threat model was also presented based on the results that correspond to multiple potentially affected areas.
Authors: Aaron Havens, Benjamin Kurt Miller, Bing Yan, Carles Domingo-Enrich, Anuroop Sriram, Brandon Wood, Daniel Levine, Bin Hu, Brandon Amos, Brian Karrer, Xiang Fu, Guan-Horng Liu, Ricky T. Q. Chen
Abstract: We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the first on-policy approach that allows significantly more gradient updates than the number of energy evaluations and model samples, allowing us to scale to much larger problem settings than previously explored by similar methods. Our framework is theoretically grounded in stochastic optimal control and shares the same theoretical guarantees as Adjoint Matching, being able to train without the need for corrective measures that push samples towards the target distribution. We show how to incorporate key symmetries, as well as periodic boundary conditions, for modeling molecules in both cartesian and torsional coordinates. We demonstrate the effectiveness of our approach through extensive experiments on classical energy functions, and further scale up to neural network-based energy models where we perform amortized conformer generation across many molecular systems. To encourage further research in developing highly scalable sampling methods, we plan to open source these challenging benchmarks, where successful methods can directly impact progress in computational chemistry.
Authors: Yunzhe Li, Facheng Hu, Hongzi Zhu, Shifan Zhang, Liang Zhang, Shan Chang, Minyi Guo
Abstract: Inertial measurement units (IMUs), have been prevalently used in a wide range of mobile perception applications such as activity recognition and user authentication, where a large amount of labelled data are normally required to train a satisfactory model. However, it is difficult to label micro-activities in massive IMU data due to the hardness of understanding raw IMU data and the lack of ground truth. In this paper, we propose a novel fine-grained user perception approach, called Saga, which only needs a small amount of labelled IMU data to achieve stunning user perception accuracy. The core idea of Saga is to first pre-train a backbone feature extraction model, utilizing the rich semantic information of different levels embedded in the massive unlabelled IMU data. Meanwhile, for a specific downstream user perception application, Bayesian Optimization is employed to determine the optimal weights for pre-training tasks involving different semantic levels. We implement Saga on five typical mobile phones and evaluate Saga on three typical tasks on three IMU datasets. Results show that when only using about 100 training samples per class, Saga can achieve over 90% accuracy of the full-fledged model trained on over ten thousands training samples with no additional system overhead.
Authors: Pradeep Singh, Ashutosh Kumar, Sutirtha Ghosh, Hrishit B P, Balasubramanian Raman
Abstract: Reservoir computing (RC) represents a class of state-space models (SSMs) characterized by a fixed state transition mechanism (the reservoir) and a flexible readout layer that maps from the state space. It is a paradigm of computational dynamical systems that harnesses the transient dynamics of high-dimensional state spaces for efficient processing of temporal data. Rooted in concepts from recurrent neural networks, RC achieves exceptional computational power by decoupling the training of the dynamic reservoir from the linear readout layer, thereby circumventing the complexities of gradient-based optimization. This work presents a systematic exploration of RC, addressing its foundational properties such as the echo state property, fading memory, and reservoir capacity through the lens of dynamical systems theory. We formalize the interplay between input signals and reservoir states, demonstrating the conditions under which reservoirs exhibit stability and expressive power. Further, we delve into the computational trade-offs and robustness characteristics of RC architectures, extending the discussion to their applications in signal processing, time-series prediction, and control systems. The analysis is complemented by theoretical insights into optimization, training methodologies, and scalability, highlighting open challenges and potential directions for advancing the theoretical underpinnings of RC.
Authors: Kishan Gurumurthy, Himanshu Pal, Charu Sharma
Abstract: Graph Neural Network (GNN) research is rapidly advancing due to GNNs' capacity to learn distributed representations from graph-structured data. However, centralizing large volumes of real-world graph data for GNN training is often impractical due to privacy concerns, regulatory restrictions, and commercial competition. Federated learning (FL), a distributed learning paradigm, offers a solution by preserving data privacy with collaborative model training. Despite progress in training huge vision and language models, federated learning for GNNs remains underexplored. To address this challenge, we present a novel method for federated learning on GNNs based on spectral GNNs equipped with neural ordinary differential equations (ODE) for better information capture, showing promising results across both homophilic and heterophilic graphs. Our approach effectively handles non-Independent and Identically Distributed (non-IID) data, while also achieving performance comparable to existing methods that only operate on IID data. It is designed to be privacy-preserving and bandwidth-optimized, making it suitable for real-world applications such as social network analysis, recommendation systems, and fraud detection, which often involve complex, non-IID, and heterophilic graph structures. Our results in the area of federated learning on non-IID heterophilic graphs demonstrate significant improvements, while also achieving better performance on homophilic graphs. This work highlights the potential of federated learning in diverse and challenging graph settings. Open-source code available on GitHub (https://github.com/SpringWiz11/Fed-GNODEFormer).
Authors: Marco Forgione, Ankush Chakrabarty, Dario Piga, Matteo Rufolo, Alberto Bemporad
Abstract: System identification has greatly benefited from deep learning techniques, particularly for modeling complex, nonlinear dynamical systems with partially unknown physics where traditional approaches may not be feasible. However, deep learning models often require large datasets and significant computational resources at training and inference due to their high-dimensional parameterizations. To address this challenge, we propose a meta-learning framework that discovers a low-dimensional manifold within the parameter space of an over-parameterized neural network architecture. This manifold is learned from a meta-dataset of input-output sequences generated by a class of related dynamical systems, enabling efficient model training while preserving the network's expressive power for the considered system class. Unlike bilevel meta-learning approaches, our method employs an auxiliary neural network to map datasets directly onto the learned manifold, eliminating the need for costly second-order gradient computations during meta-training and reducing the number of first-order updates required in inference, which could be expensive for large models. We validate our approach on a family of Bouc-Wen oscillators, which is a well-studied nonlinear system identification benchmark. We demonstrate that we are able to learn accurate models even in small-data scenarios.
Authors: Kihyun Kim, Jinwoo Kim, Hyunsun Chung, Myung-Hoon Cha, Hong-Yeon Kim, Youngjae Kim
Abstract: LLM inference is essential for applications like text summarization, translation, and data analysis, but the high cost of GPU instances from Cloud Service Providers (CSPs) like AWS is a major burden. This paper proposes InferSave, a cost-efficient VM selection framework for cloud based LLM inference. InferSave optimizes KV cache offloading based on Service Level Objectives (SLOs) and workload charac teristics, estimating GPU memory needs, and recommending cost-effective VM instances. Additionally, the Compute Time Calibration Function (CTCF) improves instance selection accuracy by adjusting for discrepancies between theoretical and actual GPU performance. Experiments on AWS GPU instances show that selecting lower-cost instances without KV cache offloading improves cost efficiency by up to 73.7% for online workloads, while KV cache offloading saves up to 20.19% for offline workloads.
Authors: Rohan Hitchcock, Gary W. Delaney, Jonathan H. Manton, Richard Scalzo, Jingge Zhu
Abstract: Neural networks often have identifiable computational structures - components of the network which perform an interpretable algorithm or task - but the mechanisms by which these emerge and the best methods for detecting these structures are not well understood. In this paper we investigate the emergence of computational structure in a transformer-like model trained to simulate the physics of a particle system, where the transformer's attention mechanism is used to transfer information between particles. We show that (a) structures emerge in the attention heads of the transformer which learn to detect particle collisions, (b) the emergence of these structures is associated to degenerate geometry in the loss landscape, and (c) the dynamics of this emergence follows a power law. This suggests that these components are governed by a degenerate "effective potential". These results have implications for the convergence time of computational structure within neural networks and suggest that the emergence of computational structure can be detected by studying the dynamics of network components.
Authors: Changming Xu, Debangshu Banerjee, Deepak Vasisht, Gagandeep Singh
Abstract: Variational Autoencoders (VAEs) have become increasingly popular and deployed in safety-critical applications. In such applications, we want to give certified probabilistic guarantees on performance under adversarial attacks. We propose a novel method, CIVET, for certified training of VAEs. CIVET depends on the key insight that we can bound worst-case VAE error by bounding the error on carefully chosen support sets at the latent layer. We show this point mathematically and present a novel training algorithm utilizing this insight. We show in an extensive evaluation across different datasets (in both the wireless and vision application areas), architectures, and perturbation magnitudes that our method outperforms SOTA methods achieving good standard performance with strong robustness guarantees.
Authors: Houshuang Chen, Yuchen He, Chihao Zhang
Abstract: This paper presents a comprehensive study on the problem of Best Arm Retention (BAR), which has recently found applications in streaming algorithms for multi-armed bandits. In the BAR problem, the goal is to retain $m$ arms with the best arm included from $n$ after some trials, in stochastic multi-armed bandit settings. We first investigate pure exploration for the BAR problem under different criteria, and then minimize the regret with specific constraints, in the context of further exploration in streaming algorithms. - We begin by revisiting the lower bound for the $(\varepsilon,\delta)$-PAC algorithm for Best Arm Identification (BAI) and adapt the classical KL-divergence argument to derive optimal bounds for $(\varepsilon,\delta)$-PAC algorithms for BAR. - We further study another variant of the problem, called $r$-BAR, which requires the expected gap between the best arm and the optimal arm retained is less than $r$. We prove tight sample complexity for the problem. - We explore the regret minimization problem for $r$-BAR and develop algorithm beyond pure exploration. We conclude with a conjecture on the optimal regret in this setting.
Authors: Weiqiang Jiao, Suzhi Bi, Xian Li, Cheng Guo, Hao Chen, Zhi Quan
Abstract: This paper investigates deploying semantic edge inference systems for performing a common image clarification task. In particular, each system consists of multiple Internet of Things (IoT) devices that first locally encode the sensing data into semantic features and then transmit them to an edge server for subsequent data fusion and task inference. The inference accuracy is determined by efficient training of the feature encoder/decoder using labeled data samples. Due to the difference in sensing data and communication channel distributions, deploying the system in a new environment may induce high costs in annotating data labels and re-training the encoder/decoder models. To achieve cost-effective transferable system deployment, we propose an efficient Domain Adaptation method for Semantic Edge INference systems (DASEIN) that can maintain high inference accuracy in a new environment without the need for labeled samples. Specifically, DASEIN exploits the task-relevant data correlation between different deployment scenarios by leveraging the techniques of unsupervised domain adaptation and knowledge distillation. It devises an efficient two-step adaptation procedure that sequentially aligns the data distributions and adapts to the channel variations. Numerical results show that, under a substantial change in sensing data distributions, the proposed DASEIN outperforms the best-performing benchmark method by 7.09% and 21.33% in inference accuracy when the new environment has similar or 25 dB lower channel signal to noise power ratios (SNRs), respectively. This verifies the effectiveness of the proposed method in adapting both data and channel distributions in practical transfer deployment applications.
Authors: Ruoyu Sun, Angelos Stefanidis, Zhengyong Jiang, Jionglong Su
Abstract: Typical deep reinforcement learning (DRL) agents for dynamic portfolio optimization learn the factors influencing portfolio return and risk by analyzing the output values of the reward function while adjusting portfolio weights within the training environment. However, it faces a major limitation where it is difficult for investors to intervene in the training based on different levels of risk aversion towards each portfolio asset. This difficulty arises from another limitation: existing DRL agents may not develop a thorough understanding of the factors responsible for the portfolio return and risk by only learning from the output of the reward function. As a result, the strategy for determining the target portfolio weights is entirely dependent on the DRL agents themselves. To address these limitations, we propose a reward factor matrix for elucidating the return and risk of each asset in the portfolio. Additionally, we propose a novel learning system named Factor-MCLS using a multi-critic framework that facilitates learning of the reward factor matrix. In this way, our DRL-based learning system can effectively learn the factors influencing portfolio return and risk. Moreover, based on the critic networks within the multi-critic framework, we develop a risk constraint term in the training objective function of the policy function. This risk constraint term allows investors to intervene in the training of the DRL agent according to their individual levels of risk aversion towards the portfolio assets.
Authors: Sarang S, Harsh D. Chothani, Qilei Li, Ahmed M. Abdelmoniem, Arnab K. Paul
Abstract: Federated Learning (FL) has attracted considerable interest due to growing privacy concerns and regulations like the General Data Protection Regulation (GDPR), which stresses the importance of privacy-preserving and fair machine learning approaches. In FL, model training takes place on decentralized data, so as to allow clients to upload a locally trained model and receive a globally aggregated model without exposing sensitive information. However, challenges related to fairness-such as biases, uneven performance among clients, and the "free rider" issue complicates its adoption. In this paper, we examine the use of Mutual Information (MI)-based loss functions to address these concerns. MI has proven to be a powerful method for measuring dependencies between variables and optimizing deep learning models. By leveraging MI to extract essential features and minimize biases, we aim to improve both the fairness and effectiveness of FL systems. Through extensive benchmarking, we assess the impact of MI-based losses in reducing disparities among clients while enhancing the overall performance of FL.
Authors: Qiyue Chen (School of Mathematical Sciences, University of Chinese Academy of Science, Beijing, China, Zhongguancun Laboratory, Beijing, China), Shaolin Tan (Zhongguancun Laboratory, Beijing, China), Suixiang Gao (School of Mathematical Sciences, University of Chinese Academy of Science, Beijing, China, Zhongguancun Laboratory, Beijing, China), Jinhu L\"u (School of Automation Science and Electrical Engineering, Beihang University, Beijing, China, Zhongguancun Laboratory, Beijing, China)
Abstract: Graph neural networks (GNNs) have shown promising performance in solving both Boolean satisfiability (SAT) and Maximum Satisfiability (MaxSAT) problems due to their ability to efficiently model and capture the structural dependencies between literals and clauses. However, GNN methods for solving Weighted MaxSAT problems remain underdeveloped. The challenges arise from the non-linear dependency and sensitive objective function, which are caused by the non-uniform distribution of weights across clauses. In this paper, we present HyperSAT, a novel neural approach that employs an unsupervised hypergraph neural network model to solve Weighted MaxSAT problems. We propose a hypergraph representation for Weighted MaxSAT instances and design a cross-attention mechanism along with a shared representation constraint loss function to capture the logical interactions between positive and negative literal nodes in the hypergraph. Extensive experiments on various Weighted MaxSAT datasets demonstrate that HyperSAT achieves better performance than state-of-the-art competitors.
Authors: Yuan Zhou, Jiachen Zhong, Xinli Shi, Guanghui Wen, Xinghuo Yu
Abstract: Composite federated learning offers a general framework for solving machine learning problems with additional regularization terms. However, many existing methods require clients to perform multiple proximal operations to handle non-smooth terms and their performance are often susceptible to data heterogeneity. To overcome these limitations, we propose a novel composite federated learning algorithm called \textbf{FedCanon}, designed to solve the optimization problems comprising a possibly non-convex loss function and a weakly convex, potentially non-smooth regularization term. By decoupling proximal mappings from local updates, FedCanon requires only a single proximal evaluation on the server per iteration, thereby reducing the overall proximal computation cost. It also introduces control variables that incorporate global gradient information into client updates, which helps mitigate the effects of data heterogeneity. Theoretical analysis demonstrates that FedCanon achieves sublinear convergence rates under general non-convex settings and linear convergence under the Polyak-{\L}ojasiewicz condition, without relying on bounded heterogeneity assumptions. Experiments demonstrate that FedCanon outperforms the state-of-the-art methods in terms of both accuracy and computational efficiency, particularly under heterogeneous data distributions.
Authors: Zeyu Dai, Shengcai Liu, Rui He, Jiahao Wu, Ning Lu, Wenqi Fan, Qing Li, Ke Tang
Abstract: Unrestricted adversarial examples (UAEs), allow the attacker to create non-constrained adversarial examples without given clean samples, posing a severe threat to the safety of deep learning models. Recent works utilize diffusion models to generate UAEs. However, these UAEs often lack naturalness and imperceptibility due to simply optimizing in intermediate latent noises. In light of this, we propose SemDiff, a novel unrestricted adversarial attack that explores the semantic latent space of diffusion models for meaningful attributes, and devises a multi-attributes optimization approach to ensure attack success while maintaining the naturalness and imperceptibility of generated UAEs. We perform extensive experiments on four tasks on three high-resolution datasets, including CelebA-HQ, AFHQ and ImageNet. The results demonstrate that SemDiff outperforms state-of-the-art methods in terms of attack success rate and imperceptibility. The generated UAEs are natural and exhibit semantically meaningful changes, in accord with the attributes' weights. In addition, SemDiff is found capable of evading different defenses, which further validates its effectiveness and threatening.
Authors: Xuyang Chen, Guojian Wang, Keyu Yan, Lin Zhao
Abstract: Offline reinforcement learning (RL) learns effective policies from pre-collected datasets, offering a practical solution for applications where online interactions are risky or costly. Model-based approaches are particularly advantageous for offline RL, owing to their data efficiency and generalizability. However, due to inherent model errors, model-based methods often artificially introduce conservatism guided by heuristic uncertainty estimation, which can be unreliable. In this paper, we introduce VIPO, a novel model-based offline RL algorithm that incorporates self-supervised feedback from value estimation to enhance model training. Specifically, the model is learned by additionally minimizing the inconsistency between the value learned directly from the offline data and the one estimated from the model. We perform comprehensive evaluations from multiple perspectives to show that VIPO can learn a highly accurate model efficiently and consistently outperform existing methods. It offers a general framework that can be readily integrated into existing model-based offline RL algorithms to systematically enhance model accuracy. As a result, VIPO achieves state-of-the-art performance on almost all tasks in both D4RL and NeoRL benchmarks.
Authors: Sosei Ikeda, Hiromitsu Awano, Takashi Sato
Abstract: Reservoir computing (RC) is attracting attention as a machine-learning technique for edge computing. In time-series classification tasks, the number of features obtained using a reservoir depends on the length of the input series. Therefore, the features must be converted to a constant-length intermediate representation (IR), such that they can be processed by an output layer. Existing conversion methods involve computationally expensive matrix inversion that significantly increases the circuit size and requires processing power when implemented in hardware. In this article, we propose a simple but effective IR, namely, dot-product-based reservoir representation (DPRR), for RC based on the dot product of data features. Additionally, we propose a hardware-friendly delayed-feedback reservoir (DFR) consisting of a nonlinear element and delayed feedback loop with DPRR. The proposed DFR successfully classified multivariate time series data that has been considered particularly difficult to implement efficiently in hardware. In contrast to conventional DFR models that require analog circuits, the proposed model can be implemented in a fully digital manner suitable for high-level syntheses. A comparison with existing machine-learning methods via field-programmable gate array implementation using 12 multivariate time-series classification tasks confirmed the superior accuracy and small circuit size of the proposed method.
Authors: Yechao Zhang, Yuxuan Zhou, Tianyu Li, Minghui Li, Shengshan Hu, Wei Luo, Leo Yu Zhang
Abstract: Transfer learning from pre-trained encoders has become essential in modern machine learning, enabling efficient model adaptation across diverse tasks. However, this combination of pre-training and downstream adaptation creates an expanded attack surface, exposing models to sophisticated backdoor embeddings at both the encoder and dataset levels--an area often overlooked in prior research. Additionally, the limited computational resources typically available to users of pre-trained encoders constrain the effectiveness of generic backdoor defenses compared to end-to-end training from scratch. In this work, we investigate how to mitigate potential backdoor risks in resource-constrained transfer learning scenarios. Specifically, we conduct an exhaustive analysis of existing defense strategies, revealing that many follow a reactive workflow based on assumptions that do not scale to unknown threats, novel attack types, or different training paradigms. In response, we introduce a proactive mindset focused on identifying clean elements and propose the Trusted Core (T-Core) Bootstrapping framework, which emphasizes the importance of pinpointing trustworthy data and neurons to enhance model security. Our empirical evaluations demonstrate the effectiveness and superiority of T-Core, specifically assessing 5 encoder poisoning attacks, 7 dataset poisoning attacks, and 14 baseline defenses across five benchmark datasets, addressing four scenarios of 3 potential backdoor threats.
Authors: Pascal Schlachter, Jonathan Fuss, Bin Yang
Abstract: A domain (distribution) shift between training and test data often hinders the real-world performance of deep neural networks, necessitating unsupervised domain adaptation (UDA) to bridge this gap. Online source-free UDA has emerged as a solution for practical scenarios where access to source data is restricted and target data is received as a continuous stream. However, the open-world nature of many real-world applications additionally introduces category shifts meaning that the source and target label spaces may differ. Online source-free universal domain adaptation (SF-UniDA) addresses this challenge. Existing methods mainly rely on self-training with pseudo-labels, yet the relationship between pseudo-labeling and adaptation outcomes has not been studied yet. To bridge this gap, we conduct a systematic analysis through controlled experiments with simulated pseudo-labeling, offering valuable insights into pseudo-labeling for online SF-UniDA. Our findings reveal a substantial gap between the current state-of-the-art and the upper bound of adaptation achieved with perfect pseudo-labeling. Moreover, we show that a contrastive loss enables effective adaptation even with moderate pseudo-label accuracy, while a cross-entropy loss, though less robust to pseudo-label errors, achieves superior results when pseudo-labeling approaches perfection. Lastly, our findings indicate that pseudo-label accuracy is in general more crucial than quantity, suggesting that prioritizing fewer but high-confidence pseudo-labels is beneficial. Overall, our study highlights the critical role of pseudo-labeling in (online) SF-UniDA and provides actionable insights to drive future advancements in the field. Our code is available at https://github.com/pascalschlachter/PLAnalysis.
Authors: Kihyuk Hong, Ambuj Tewari
Abstract: We study reinforcement learning in infinite-horizon average-reward settings with linear MDPs. Previous work addresses this problem by approximating the average-reward setting by discounted setting and employing a value iteration-based algorithm that uses clipping to constrain the span of the value function for improved statistical efficiency. However, the clipping procedure requires computing the minimum of the value function over the entire state space, which is prohibitive since the state space in linear MDP setting can be large or even infinite. In this paper, we introduce a value iteration method with efficient clipping operation that only requires computing the minimum of value functions over the set of states visited by the algorithm. Our algorithm enjoys the same regret bound as the previous work while being computationally efficient, with computational complexity that is independent of the size of the state space.
Authors: Heesoo Jung, Hogun Park
Abstract: Self-supervised learning (SSL) in graphs has garnered significant attention, particularly in employing Graph Neural Networks (GNNs) with pretext tasks initially designed for other domains, such as contrastive learning and feature reconstruction. However, it remains uncertain whether these methods effectively reflect essential graph properties, precisely representation similarity with its neighbors. We observe that existing methods position opposite ends of a spectrum driven by the graph embedding smoothness, with each end corresponding to outperformance on specific downstream tasks. Decomposing the SSL objective into three terms via an information-theoretic framework with a neighbor representation variable reveals that this polarization stems from an imbalance among the terms, which existing methods may not effectively maintain. Further insights suggest that balancing between the extremes can lead to improved performance across a wider range of downstream tasks. A framework, BSG (Balancing Smoothness in Graph SSL), introduces novel loss functions designed to supplement the representation quality in graph-based SSL by balancing the derived three terms: neighbor loss, minimal loss, and divergence loss. We present a theoretical analysis of the effects of these loss functions, highlighting their significance from both the SSL and graph smoothness perspectives. Extensive experiments on multiple real-world datasets across node classification and link prediction consistently demonstrate that BSG achieves state-of-the-art performance, outperforming existing methods. Our implementation code is available at https://github.com/steve30572/BSG.
Authors: Arun Verma, Xiaoqiang Lin, Zhongxiang Dai, Daniela Rus, Bryan Kian Hsiang Low
Abstract: Collecting human preference feedback is often expensive, leading recent works to develop principled algorithms to select them more efficiently. However, these works assume that the underlying reward function is linear, an assumption that does not hold in many real-life applications, such as online recommendation and LLM alignment. To address this limitation, we propose Neural-ADB, an algorithm based on the neural contextual dueling bandit framework that provides a principled and practical method for collecting human preference feedback when the underlying latent reward function is non-linear. We theoretically show that when preference feedback follows the Bradley-Terry-Luce model, the worst sub-optimality gap of the policy learned by Neural-ADB decreases at a sub-linear rate as the preference dataset increases. Our experimental results on problem instances derived from synthetic preference datasets further validate the effectiveness of Neural-ADB.
Authors: Yu Zhang, Qingfeng Du, Jiaqi Lv
Abstract: Federated Learning (FL) enables decentralized model training across multiple parties while preserving privacy. However, most FL systems assume clients hold only unimodal data, limiting their real-world applicability, as institutions often possess multimodal data. Moreover, the lack of labeled data further constrains the performance of most FL methods. In this work, we propose FedEPA, a novel FL framework for multimodal learning. FedEPA employs a personalized local model aggregation strategy that leverages labeled data on clients to learn personalized aggregation weights, thereby alleviating the impact of data heterogeneity. We also propose an unsupervised modality alignment strategy that works effectively with limited labeled data. Specifically, we decompose multimodal features into aligned features and context features. We then employ contrastive learning to align the aligned features across modalities, ensure the independence between aligned features and context features within each modality, and promote the diversity of context features. A multimodal feature fusion strategy is introduced to obtain a joint embedding. The experimental results show that FedEPA significantly outperforms existing FL methods in multimodal classification tasks under limited labeled data conditions.
Authors: Kiran K. Yalamanchi, Pinaki Pal, Balaji Mohan, Abdullah S. AlRamadan, Jihad A. Badra, Yuanjiang Pei
Abstract: In the present work, a generative deep learning framework combining a Co-optimized Variational Autoencoder (Co-VAE) architecture with quantitative structure-property relationship (QSPR) techniques is developed to enable accelerated inverse design of fuels. The Co-VAE integrates a property prediction component coupled with the VAE latent space, enhancing molecular reconstruction and accurate estimation of Research Octane Number (RON) (chosen as the fuel property of interest). A subset of the GDB-13 database, enriched with a curated RON database, is used for model training. Hyperparameter tuning is further utilized to optimize the balance among reconstruction fidelity, chemical validity, and RON prediction. An independent regression model is then used to refine RON prediction, while a differential evolution algorithm is employed to efficiently navigate the VAE latent space and identify promising fuel molecule candidates with high RON. This methodology addresses the limitations of traditional fuel screening approaches by capturing complex structure-property relationships within a comprehensive latent representation. The generative model provides a flexible tool for systematically exploring vast chemical spaces, paving the way for discovering fuels with superior anti-knock properties. The demonstrated approach can be readily extended to incorporate additional fuel properties and synthesizability criteria to enhance applicability and reliability for de novo design of new fuels.
Authors: Mohammadali Moghimi, Sharu Theresa Jose, Shana Moothedath
Abstract: This paper presents a new algorithm for neural contextual bandits (CBs) that addresses the challenge of delayed reward feedback, where the reward for a chosen action is revealed after a random, unknown delay. This scenario is common in applications such as online recommendation systems and clinical trials, where reward feedback is delayed because the outcomes or results of a user's actions (such as recommendations or treatment responses) take time to manifest and be measured. The proposed algorithm, called Delayed NeuralUCB, uses an upper confidence bound (UCB)-based exploration strategy. Under the assumption of independent and identically distributed sub-exponential reward delays, we derive an upper bound on the cumulative regret over a T-length horizon. We further consider a variant of the algorithm, called Delayed NeuralTS, that uses Thompson Sampling-based exploration. Numerical experiments on real-world datasets, such as MNIST and Mushroom, along with comparisons to benchmark approaches, demonstrate that the proposed algorithms effectively manage varying delays and are well-suited for complex real-world scenarios.
Authors: Miaosen Luo, Yuncheng Jiang, Sijie Mai
Abstract: Multimodal Sentiment Analysis (MSA) faces two critical challenges: the lack of interpretability in the decision logic of multimodal fusion and modality imbalance caused by disparities in inter-modal information density. To address these issues, we propose KAN-MCP, a novel framework that integrates the interpretability of Kolmogorov-Arnold Networks (KAN) with the robustness of the Multimodal Clean Pareto (MCPareto) framework. First, KAN leverages its univariate function decomposition to achieve transparent analysis of cross-modal interactions. This structural design allows direct inspection of feature transformations without relying on external interpretation tools, thereby ensuring both high expressiveness and interpretability. Second, the proposed MCPareto enhances robustness by addressing modality imbalance and noise interference. Specifically, we introduce the Dimensionality Reduction and Denoising Modal Information Bottleneck (DRD-MIB) method, which jointly denoises and reduces feature dimensionality. This approach provides KAN with discriminative low-dimensional inputs to reduce the modeling complexity of KAN while preserving critical sentiment-related information. Furthermore, MCPareto dynamically balances gradient contributions across modalities using the purified features output by DRD-MIB, ensuring lossless transmission of auxiliary signals and effectively alleviating modality imbalance. This synergy of interpretability and robustness not only achieves superior performance on benchmark datasets such as CMU-MOSI, CMU-MOSEI, and CH-SIMS v2 but also offers an intuitive visualization interface through KAN's interpretable architecture.
Authors: Mustafa Cavus
Abstract: In many applications, especially those involving prediction, models may yield near-optimal performance yet significantly disagree on individual-level outcomes. This phenomenon, known as predictive multiplicity, has been formally defined in binary, probabilistic, and multi-target classification, and undermines the reliability of predictive systems. However, its implications remain unexplored in the context of survival analysis, which involves estimating the time until a failure or similar event while properly handling censored data. We frame predictive multiplicity as a critical concern in survival-based models and introduce formal measures -- ambiguity, discrepancy, and obscurity -- to quantify it. This is particularly relevant for downstream tasks such as maintenance scheduling, where precise individual risk estimates are essential. Understanding and reporting predictive multiplicity helps build trust in models deployed in high-stakes environments. We apply our methodology to benchmark datasets from predictive maintenance, extending the notion of multiplicity to survival models. Our findings show that ambiguity steadily increases, reaching up to 40-45% of observations; discrepancy is lower but exhibits a similar trend; and obscurity remains mild and concentrated in a few models. These results demonstrate that multiple accurate survival models may yield conflicting estimations of failure risk and degradation progression for the same equipment. This highlights the need to explicitly measure and communicate predictive multiplicity to ensure reliable decision-making in process health management.
Authors: Eunjeong Jeong, Nikolaos Pappas
Abstract: Federated Learning (FL) has emerged as a promising framework for distributed learning, but its growing complexity has led to significant energy consumption, particularly from computations on the client side. This challenge is especially critical in energy-harvesting FL (EHFL) systems, where device availability fluctuates due to limited and time-varying energy resources. We propose FedBacys, a battery-aware FL framework that introduces cyclic client participation based on users' battery levels to cope with these issues. FedBacys enables clients to save energy and strategically perform local training just before their designated transmission time by clustering clients and scheduling their involvement sequentially. This design minimizes redundant computation, reduces system-wide energy usage, and improves learning stability. Our experiments demonstrate that FedBacys outperforms existing approaches in terms of energy efficiency and performance consistency, exhibiting robustness even under non-i.i.d. training data distributions and with very infrequent battery charging. This work presents the first comprehensive evaluation of cyclic client participation in EHFL, incorporating both communication and computation costs into a unified, resource-aware scheduling strategy.
Authors: David Khachaturov, Robert Mullins, Ilia Shumailov, Sumanth Dathathri
Abstract: Recent advancements in Large Language Models (LLMs) raised concerns over potential misuse, such as for spreading misinformation. In response two counter measures emerged: machine learning-based detectors that predict if text is synthetic, and LLM watermarking, which subtly marks generated text for identification and attribution. Meanwhile, humans are known to adjust language to their conversational partners both syntactically and lexically. By implication, it is possible that humans or unwatermarked LLMs could unintentionally mimic properties of LLM generated text, making counter measures unreliable. In this work we investigate the extent to which such conversational adaptation happens. We call the concept $\textit{mimicry}$ and demonstrate that both humans and LLMs end up mimicking, including the watermarking signal even in seemingly improbable settings. This challenges current academic assumptions and suggests that for long-term watermarking to be reliable, the likelihood of false positives needs to be significantly lower, while longer word sequences should be used for seeding watermarking mechanisms.
Authors: David Keetae Park, Xihaier Luo, Guang Zhao, Seungjun Lee, Miruna Oprescu, Shinjae Yoo
Abstract: Spatiotemporal learning is challenging due to the intricate interplay between spatial and temporal dependencies, the high dimensionality of the data, and scalability constraints. These challenges are further amplified in scientific domains, where data is often irregularly distributed (e.g., missing values from sensor failures) and high-volume (e.g., high-fidelity simulations), posing additional computational and modeling difficulties. In this paper, we present SCENT, a novel framework for scalable and continuity-informed spatiotemporal representation learning. SCENT unifies interpolation, reconstruction, and forecasting within a single architecture. Built on a transformer-based encoder-processor-decoder backbone, SCENT introduces learnable queries to enhance generalization and a query-wise cross-attention mechanism to effectively capture multi-scale dependencies. To ensure scalability in both data size and model complexity, we incorporate a sparse attention mechanism, enabling flexible output representations and efficient evaluation at arbitrary resolutions. We validate SCENT through extensive simulations and real-world experiments, demonstrating state-of-the-art performance across multiple challenging tasks while achieving superior scalability.
Authors: ChenNingZhi Sheng, Rafal Kustra, Davide Chicco
Abstract: Purpose: The primary goal of this study is to explore the application of evaluation metrics to different clustering algorithms using the data provided from the Canadian Longitudinal Study (CLSA), focusing on cognitive features. The objective of our work is to discover potential clinically relevant clusters that contribute to the development of dementia over time-based on cognitive changes. Method: The CLSA dataset includes 18,891 participants with data available at both baseline and follow-up assessments, to which clustering algorithms were applied. The clustering methodologies employed in this analysis are K-means (KM) clustering, Hierarchical Clustering (HC) and Partitioning Around Medoids (PAM). We use multiple evaluation metrics to assess our analysis. For internal evaluation metrics, we use: Average silhouette Width, Within and Between the sum of square Ratio (WB.Ratio), Entropy, Calinski-Harabasz Index (CH Index), and Separation Index. For clustering comparison metrics, we used: Homogeneity, Completeness, Adjusted Rand Index (ARI), Rand Index (RI), and Variation Information. Results: Using evaluation metrics to compare the results of the three clustering techniques, K-means and Partitioning Around Medoids (PAM) produced similar results. In contrast, there are significant differences between K-means clustering and Hierarchical Clustering. Our study highlights the importance of the two internal evaluation metrics: entropy and separation index. In between clustering comparison metrics, the Adjusted Rand Index is a key tool. Conclusion: The study results have the potential to contribute to understanding dementia. Researchers can also benefit by applying the suggested evaluation metrics to other areas of healthcare research. Overall, our study improves the understanding of using clustering techniques and evaluation metrics to reveal complex patterns in medical data.
Authors: Mansoor Hayat, Supavadee Aramvith, Subrata Bhattacharjee, Nouman Ahmad
Abstract: Accurate segmentation of abdominal adipose tissue, including subcutaneous (SAT) and visceral adipose tissue (VAT), along with liver segmentation, is essential for understanding body composition and associated health risks such as type 2 diabetes and cardiovascular disease. This study proposes Attention GhostUNet++, a novel deep learning model incorporating Channel, Spatial, and Depth Attention mechanisms into the Ghost UNet++ bottleneck for automated, precise segmentation. Evaluated on the AATTCT-IDS and LiTS datasets, the model achieved Dice coefficients of 0.9430 for VAT, 0.9639 for SAT, and 0.9652 for liver segmentation, surpassing baseline models. Despite minor limitations in boundary detail segmentation, the proposed model significantly enhances feature refinement, contextual understanding, and computational efficiency, offering a robust solution for body composition analysis. The implementation of the proposed Attention GhostUNet++ model is available at:https://github.com/MansoorHayat777/Attention-GhostUNetPlusPlus.
URLs: https://github.com/MansoorHayat777/Attention-GhostUNetPlusPlus.
Authors: Yiting Wang, Yunxin Fan, Fei Liu
Abstract: Accurate modeling of tool-tissue interactions in robotic surgery requires precise tracking of deformable tissues and integration of surgical domain knowledge. Traditional methods rely on labor-intensive annotations or rigid assumptions, limiting flexibility. We propose a framework combining sparse keypoint tracking and probabilistic modeling that propagates expert-annotated landmarks across endoscopic frames, even with large tissue deformations. Clustered tissue keypoints enable dynamic local transformation construction via PCA, and tool poses, tracked similarly, are expressed relative to these frames. Embedding these into a Task-Parameterized Gaussian Mixture Model (TP-GMM) integrates data-driven observations with labeled clinical expertise, effectively predicting relative tool-tissue poses and enhancing visual understanding of robotic surgical motions directly from video data.
Authors: Jatin Nainani, Chia-Tung Ho, Anirudh Dhurka, Haoxing Ren
Abstract: Timing analysis is an essential and demanding verification method for Very Large Scale Integrated (VLSI) circuit design and optimization. In addition, it also serves as the cornerstone of the final sign-off, determining whether the chip is ready to be sent to the semiconductor foundry for fabrication. Recently, as the technology advance relentlessly, smaller metal pitches and the increasing number of devices have led to greater challenges and longer turn-around-time for experienced human designers to debug timing issues from the Multi-Corner Multi-Mode (MCMM) timing reports. As a result, an efficient and intelligent methodology is highly necessary and essential for debugging timing issues and reduce the turnaround times. Recently, Large Language Models (LLMs) have shown great promise across various tasks in language understanding and interactive decision-making, incorporating reasoning and actions. In this work, we propose a timing analysis agent, that is empowered by multi-LLMs task solving, and incorporates a novel hierarchical planning and solving flow to automate the analysis of timing reports from commercial tool. In addition, we build a Timing Debug Relation Graph (TDRG) that connects the reports with the relationships of debug traces from experienced timing engineers. The timing analysis agent employs the novel Agentic Retrieval Augmented Generation (RAG) approach, that includes agent and coding to retrieve data accurately, on the developed TDRG. In our studies, the proposed timing analysis agent achieves an average 98% pass-rate on a single-report benchmark and a 90% pass-rate for multi-report benchmark from industrial designs, demonstrating its effectiveness and adaptability.
Authors: Woojin Kim, Hyeoncheol Kim
Abstract: As machine learning models are increasingly used in educational settings, from detecting at-risk students to predicting student performance, algorithmic bias and its potential impacts on students raise critical concerns about algorithmic fairness. Although group fairness is widely explored in education, works on individual fairness in a causal context are understudied, especially on counterfactual fairness. This paper explores the notion of counterfactual fairness for educational data by conducting counterfactual fairness analysis of machine learning models on benchmark educational datasets. We demonstrate that counterfactual fairness provides meaningful insight into the causality of sensitive attributes and causal-based individual fairness in education.
Authors: Xiaohua Feng, Yuyuan Li, Fengyuan Yu, Ke Xiong, Junjie Fang, Li Zhang, Tianyu Du, Chaochao Chen
Abstract: In various networks and mobile applications, users are highly susceptible to attribute inference attacks, with particularly prevalent occurrences in recommender systems. Attackers exploit partially exposed user profiles in recommendation models, such as user embeddings, to infer private attributes of target users, such as gender and political views. The goal of defenders is to mitigate the effectiveness of these attacks while maintaining recommendation performance. Most existing defense methods, such as differential privacy and attribute unlearning, focus on post-training settings, which limits their capability of utilizing training data to preserve recommendation performance. Although adversarial training extends defenses to in-training settings, it often struggles with convergence due to unstable training processes. In this paper, we propose RAID, an in-training defense method against attribute inference attacks in recommender systems. In addition to the recommendation objective, we define a defensive objective to ensure that the distribution of protected attributes becomes independent of class labels, making users indistinguishable from attribute inference attacks. Specifically, this defensive objective aims to solve a constrained Wasserstein barycenter problem to identify the centroid distribution that makes the attribute indistinguishable while complying with recommendation performance constraints. To optimize our proposed objective, we use optimal transport to align users with the centroid distribution. We conduct extensive experiments on four real-world datasets to evaluate RAID. The experimental results validate the effectiveness of RAID and demonstrate its significant superiority over existing methods in multiple aspects.
Authors: Sara Sippola, Siiri Rautio, Andreas Hauptmann, Takanori Ide, Samuli Siltanen
Abstract: Electrical impedance tomography (EIT) is a non-invasive imaging method with diverse applications, including medical imaging and non-destructive testing. The inverse problem of reconstructing internal electrical conductivity from boundary measurements is nonlinear and highly ill-posed, making it difficult to solve accurately. In recent years, there has been growing interest in combining analytical methods with machine learning to solve inverse problems. In this paper, we propose a method for estimating the convex hull of inclusions from boundary measurements by combining the enclosure method proposed by Ikehata with neural networks. We demonstrate its performance using experimental data. Compared to the classical enclosure method with least squares fitting, the learned convex hull achieves superior performance on both simulated and experimental data.
Authors: Jiajun He, Yuanqi Du, Francisco Vargas, Yuanqing Wang, Carla P. Gomes, Jos\'e Miguel Hern\'andez-Lobato, Eric Vanden-Eijnden
Abstract: We present Free energy Estimators with Adaptive Transport (FEAT), a novel framework for free energy estimation -- a critical challenge across scientific domains. FEAT leverages learned transports implemented via stochastic interpolants and provides consistent, minimum-variance estimators based on escorted Jarzynski equality and controlled Crooks theorem, alongside variational upper and lower bounds on free energy differences. Unifying equilibrium and non-equilibrium methods under a single theoretical framework, FEAT establishes a principled foundation for neural free energy calculations. Experimental validation on toy examples, molecular simulations, and quantum field theory demonstrates improvements over existing learning-based methods.
Authors: Mohammad Farahmand, Amoon Jamzad, Fahimeh Fooladgar, Laura Connolly, Martin Kaufmann, Kevin Yi Mi Ren, John Rudan, Doug McKay, Gabor Fichtinger, Parvin Mousavi
Abstract: Purpose: Accurately classifying tissue margins during cancer surgeries is crucial for ensuring complete tumor removal. Rapid Evaporative Ionization Mass Spectrometry (REIMS), a tool for real-time intraoperative margin assessment, generates spectra that require machine learning models to support clinical decision-making. However, the scarcity of labeled data in surgical contexts presents a significant challenge. This study is the first to develop a foundation model tailored specifically for REIMS data, addressing this limitation and advancing real-time surgical margin assessment. Methods: We propose FACT, a Foundation model for Assessing Cancer Tissue margins. FACT is an adaptation of a foundation model originally designed for text-audio association, pretrained using our proposed supervised contrastive approach based on triplet loss. An ablation study is performed to compare our proposed model against other models and pretraining methods. Results: Our proposed model significantly improves the classification performance, achieving state-of-the-art performance with an AUROC of $82.4\% \pm 0.8$. The results demonstrate the advantage of our proposed pretraining method and selected backbone over the self-supervised and semi-supervised baselines and alternative models. Conclusion: Our findings demonstrate that foundation models, adapted and pretrained using our novel approach, can effectively classify REIMS data even with limited labeled examples. This highlights the viability of foundation models for enhancing real-time surgical margin assessment, particularly in data-scarce clinical environments.
Authors: Adam Banda, Charanjit K. Khosa, Veronica Sanz
Abstract: We present a refined version of the Anomaly Awareness framework for enhancing unsupervised anomaly detection. Our approach introduces minimal supervision into Variational Autoencoders (VAEs) through a two-stage training strategy: the model is first trained in an unsupervised manner on background data, and then fine-tuned using a small sample of labeled anomalies to encourage larger reconstruction errors for anomalous samples. We validate the method across diverse domains, including the MNIST dataset with synthetic anomalies, network intrusion data from the CICIDS benchmark, collider physics data from the LHCO2020 dataset, and simulated events from the Standard Model Effective Field Theory (SMEFT). The latter provides a realistic example of subtle kinematic deviations in Higgs boson production. In all cases, the model demonstrates improved sensitivity to unseen anomalies, achieving better separation between normal and anomalous samples. These results indicate that even limited anomaly information, when incorporated through targeted fine-tuning, can substantially improve the generalization and performance of unsupervised models for anomaly detection.
Authors: Haokun Liu, Sicong Huang, Jingyu Hu, Yangqiaoyu Zhou, Chenhao Tan
Abstract: There is growing interest in hypothesis generation with large language models (LLMs). However, fundamental questions remain: what makes a good hypothesis, and how can we systematically evaluate methods for hypothesis generation? To address this, we introduce HypoBench, a novel benchmark designed to evaluate LLMs and hypothesis generation methods across multiple aspects, including practical utility, generalizability, and hypothesis discovery rate. HypoBench includes 7 real-world tasks and 5 synthetic tasks with 194 distinct datasets. We evaluate four state-of-the-art LLMs combined with six existing hypothesis-generation methods. Overall, our results suggest that existing methods are capable of discovering valid and novel patterns in the data. However, the results from synthetic datasets indicate that there is still significant room for improvement, as current hypothesis generation methods do not fully uncover all relevant or meaningful patterns. Specifically, in synthetic settings, as task difficulty increases, performance significantly drops, with best models and methods only recovering 38.8% of the ground-truth hypotheses. These findings highlight challenges in hypothesis generation and demonstrate that HypoBench serves as a valuable resource for improving AI systems designed to assist scientific discovery.
Authors: Chengkun Li, Bobby Huggins, Petrus Mikkola, Luigi Acerbi
Abstract: Bayesian inference with computationally expensive likelihood evaluations remains a significant challenge in many scientific domains. We propose normalizing flow regression (NFR), a novel offline inference method for approximating posterior distributions. Unlike traditional surrogate approaches that require additional sampling or inference steps, NFR directly yields a tractable posterior approximation through regression on existing log-density evaluations. We introduce training techniques specifically for flow regression, such as tailored priors and likelihood functions, to achieve robust posterior and model evidence estimation. We demonstrate NFR's effectiveness on synthetic benchmarks and real-world applications from neuroscience and biology, showing superior or comparable performance to existing methods. NFR represents a promising approach for Bayesian inference when standard methods are computationally prohibitive or existing model evaluations can be recycled.
Authors: Yahya Sattar, Sunmook Choi, Yassir Jedra, Maryam Fazel, Sarah Dean
Abstract: We consider the problem of controlling a linear dynamical system from bilinear observations with minimal quadratic cost. Despite the similarity of this problem to standard linear quadratic Gaussian (LQG) control, we show that when the observation model is bilinear, neither does the Separation Principle hold, nor is the optimal controller affine in the estimated state. Moreover, the cost-to-go is non-convex in the control input. Hence, finding an analytical expression for the optimal feedback controller is difficult in general. Under certain settings, we show that the standard LQG controller locally maximizes the cost instead of minimizing it. Furthermore, the optimal controllers (derived analytically) are not unique and are nonlinear in the estimated state. We also introduce a notion of input-dependent observability and derive conditions under which the Kalman filter covariance remains bounded. We illustrate our theoretical results through numerical experiments in multiple synthetic settings.
Authors: Haozhe Lei, Ya-Ting Yang, Tao Li, Zilin Bian, Fan Zuo, Sundeep Rangan, Kaan Ozbay
Abstract: This paper presents the Traffic Adaptive Moving-window Patrolling Algorithm (TAMPA), designed to improve real-time incident management during major events like sports tournaments and concerts. Such events significantly stress transportation networks, requiring efficient and adaptive patrol solutions. TAMPA integrates predictive traffic modeling and real-time complaint estimation, dynamically optimizing patrol deployment. Using dynamic programming, the algorithm continuously adjusts patrol strategies within short planning windows, effectively balancing immediate response and efficient routing. Leveraging the Dvoretzky-Kiefer-Wolfowitz inequality, TAMPA detects significant shifts in complaint patterns, triggering proactive adjustments in patrol routes. Theoretical analyses ensure performance remains closely aligned with optimal solutions. Simulation results from an urban traffic network demonstrate TAMPA's superior performance, showing improvements of approximately 87.5\% over stationary methods and 114.2\% over random strategies. Future work includes enhancing adaptability and incorporating digital twin technology for improved predictive accuracy, particularly relevant for events like the 2026 FIFA World Cup at MetLife Stadium.
Authors: Furqan Rustam, Islam Obaidat, Anca Delia Jurcut
Abstract: Detecting Distributed Denial of Service (DDoS) attacks in Multi-Environment (M-En) networks presents significant challenges due to diverse malicious traffic patterns and the evolving nature of cyber threats. Existing AI-based detection systems struggle to adapt to new attack strategies and lack real-time attack detection capabilities with high accuracy and efficiency. This study proposes an online, continuous learning methodology for DDoS detection in M-En networks, enabling continuous model updates and real-time adaptation to emerging threats, including zero-day attacks. First, we develop a unique M-En network dataset by setting up a realistic, real-time simulation using the NS-3 tool, incorporating both victim and bot devices. DDoS attacks with varying packet sizes are simulated using the DDoSim application across IoT and traditional IP-based environments under M-En network criteria. Our approach employs a multi-level framework (MULTI-LF) featuring two machine learning models: a lightweight Model 1 (M1) trained on a selective, critical packet dataset for fast and efficient initial detection, and a more complex, highly accurate Model 2 (M2) trained on extensive data. When M1 exhibits low confidence in its predictions, the decision is escalated to M2 for verification and potential fine-tuning of M1 using insights from M2. If both models demonstrate low confidence, the system flags the incident for human intervention, facilitating model updates with human-verified categories to enhance adaptability to unseen attack patterns. We validate the MULTI-LF through real-world simulations, demonstrating superior classification accuracy of 0.999 and low prediction latency of 0.866 seconds compared to established baselines. Furthermore, we evaluate performance in terms of memory usage (3.632 MB) and CPU utilization (10.05%) in real-time scenarios.
Authors: Gemma E. Moran, Bryon Aragam
Abstract: Recent developments in generative artificial intelligence (AI) rely on machine learning techniques such as deep learning and generative modeling to achieve state-of-the-art performance across wide-ranging domains. These methods' surprising performance is due in part to their ability to learn implicit "representations'' of complex, multi-modal data. Unfortunately, deep neural networks are notoriously black boxes that obscure these representations, making them difficult to interpret or analyze. To resolve these difficulties, one approach is to build new interpretable neural network models from the ground up. This is the goal of the emerging field of causal representation learning (CRL) that uses causality as a vector for building flexible, interpretable, and transferable generative AI. CRL can be seen as a culmination of three intrinsically statistical problems: (i) latent variable models such as factor analysis; (ii) causal graphical models with latent variables; and (iii) nonparametric statistics and deep learning. This paper reviews recent progress in CRL from a statistical perspective, focusing on connections to classical models and statistical and causal identifiablity results. This review also highlights key application areas, implementation strategies, and open statistical questions in CRL.
Authors: Tianjian Yang, Wei Vivian Li
Abstract: Background: The integration and analysis of multi-modal data are increasingly essential across various domains including bioinformatics. As the volume and complexity of such data grow, there is a pressing need for computational models that not only integrate diverse modalities but also leverage their complementary information to improve clustering accuracy and insights, especially when dealing with partial observations with missing data. Results: We propose Generalized Probabilistic Canonical Correlation Analysis (GPCCA), an unsupervised method for the integration and joint dimensionality reduction of multi-modal data. GPCCA addresses key challenges in multi-modal data analysis by handling missing values within the model, enabling the integration of more than two modalities, and identifying informative features while accounting for correlations within individual modalities. The model demonstrates robustness to various missing data patterns and provides low-dimensional embeddings that facilitate downstream clustering and analysis. In a range of simulation settings, GPCCA outperforms existing methods in capturing essential patterns across modalities. Additionally, we demonstrate its applicability to multi-omics data from TCGA cancer datasets and a multi-view image dataset. Conclusion: GPCCA offers a useful framework for multi-modal data integration, effectively handling missing data and providing informative low-dimensional embeddings. Its performance across cancer genomics and multi-view image data highlights its robustness and potential for broad application. To make the method accessible to the wider research community, we have released an R package, GPCCA, which is available at https://github.com/Kaversoniano/GPCCA.
Authors: Samin Aref, Sanchaai Mathiyarasan
Abstract: Community detection, the unsupervised task of clustering nodes of a graph, finds applications across various fields. The common approaches for community detection involve optimizing an objective function to partition the nodes into communities at a single scale of granularity. However, the single-scale approaches often fall short of producing partitions that are robust and at a suitable scale. The existing algorithm, PyGenStability, returns multiple robust partitions for a network by optimizing the multi-scale Markov stability function. However, in cases where the suitable scale is not known or assumed by the user, there is no principled method to select a single robust partition at a suitable scale from the multiple partitions that PyGenStability produces. Our proposed method combines the Markov stability framework with a pre-trained machine learning model for scale selection to obtain one robust partition at a scale that is learned based on the graph structure. This automatic scale selection involves using a gradient boosting model pre-trained on hand-crafted and embedding-based network features from a labeled dataset of 10k benchmark networks. This model was trained to predicts the scale value that maximizes the similarity of the output partition to the planted partition of the benchmark network. Combining our scale selection algorithm with the PyGenStability algorithm results in PyGenStabilityOne (PO): a hyperparameter-free multi-scale community detection algorithm that returns one robust partition at a suitable scale without the need for any assumptions, input, or tweaking from the user. We compare the performance of PO against 29 algorithms and show that it outperforms 25 other algorithms by statistically meaningful margins. Our results facilitate choosing between community detection algorithms, among which PO stands out as the accurate, robust, and hyperparameter-free method.
Authors: Shengyuan Yan, Farzad Vazinram, Zeynab Kaseb, Lindsay Spoor, Jochen Stiasny, Betul Mamudi, Amirhossein Heydarian Ardakani, Ugochukwu Orji, Pedro P. Vergara, Yu Xiang, Jerry Guo
Abstract: Power flow (PF) calculations are fundamental to power system analysis to ensure stable and reliable grid operation. The Newton-Raphson (NR) method is commonly used for PF analysis due to its rapid convergence when initialized properly. However, as power grids operate closer to their capacity limits, ill-conditioned cases and convergence issues pose significant challenges. This work, therefore, addresses these challenges by proposing strategies to improve NR initialization, hence minimizing iterations and avoiding divergence. We explore three approaches: (i) an analytical method that estimates the basin of attraction using mathematical bounds on voltages, (ii) Two data-driven models leveraging supervised learning or physics-informed neural networks (PINNs) to predict optimal initial guesses, and (iii) a reinforcement learning (RL) approach that incrementally adjusts voltages to accelerate convergence. These methods are tested on benchmark systems. This research is particularly relevant for modern power systems, where high penetration of renewables and decentralized generation require robust and scalable PF solutions. In experiments, all three proposed methods demonstrate a strong ability to provide an initial guess for Newton-Raphson method to converge with fewer steps. The findings provide a pathway for more efficient real-time grid operations, which, in turn, support the transition toward smarter and more resilient electricity networks.
Authors: Cemil Vahapoglu, Timothy J. O'Shea, Wan Liu, Tamoghna Roy, Sennur Ulukus
Abstract: The literature is abundant with methodologies focusing on using transformer architectures due to their prominence in wireless signal processing and their capability to capture long-range dependencies via attention mechanisms. In particular, depthwise separable convolutions enhance parameter efficiency for the process of high-dimensional data characteristics of MIMO systems. In this work, we introduce a novel unsupervised deep learning framework that integrates depthwise separable convolutions and transformers to generate beamforming weights under imperfect channel state information (CSI) for a multi-user single-input multiple-output (MU-SIMO) system in dense urban environments. The primary goal is to enhance throughput by maximizing sum-rate while ensuring reliable communication. Spectral efficiency and block error rate (BLER) are considered as performance metrics. Experiments are carried out under various conditions to compare the performance of the proposed NNBF framework against baseline methods zero-forcing beamforming (ZFBF) and minimum mean square error (MMSE) beamforming. Experimental results demonstrate the superiority of the proposed framework over the baseline techniques.
Authors: Ji Ma
Abstract: Large language models (LLMs) increasingly serve as human-like decision-making agents in social science and applied settings. These LLM-agents are typically assigned human-like characters and placed in real-life contexts. However, how these characters and contexts shape an LLM's behavior remains underexplored. This study proposes and tests methods for probing, quantifying, and modifying an LLM's internal representations in a Dictator Game -- a classic behavioral experiment on fairness and prosocial behavior. We extract ``vectors of variable variations'' (e.g., ``male'' to ``female'') from the LLM's internal state. Manipulating these vectors during the model's inference can substantially alter how those variables relate to the model's decision-making. This approach offers a principled way to study and regulate how social concepts can be encoded and engineered within transformer-based models, with implications for alignment, debiasing, and designing AI agents for social simulations in both academic and commercial applications.
Authors: Karthik Shivashankar, Antonio Martini
Abstract: This study explores the dynamic landscape of Technical Debt (TD) topics in software engineering by examining its evolution across time, programming languages, and repositories. Despite the extensive research on identifying and quantifying TD, there remains a significant gap in understanding the diversity of TD topics and their temporal development. To address this, we have conducted an explorative analysis of TD data extracted from GitHub issues spanning from 2015 to September 2023. We employed BERTopic for sophisticated topic modelling. This study categorises the TD topics and tracks their progression over time. Furthermore, we have incorporated sentiment analysis for each identified topic, providing a deeper insight into the perceptions and attitudes associated with these topics. This offers a more nuanced understanding of the trends and shifts in TD topics through time, programming language, and repository.
Authors: Yiyou Sun, Georgia Zhou, Hao Wang, Dacheng Li, Nouha Dziri, Dawn Song
Abstract: Recent supervised fine-tuning (SFT) approaches have significantly improved language models' performance on mathematical reasoning tasks, even when models are trained at a small scale. However, the specific capabilities enhanced through such fine-tuning remain poorly understood. In this paper, we conduct a detailed analysis of model performance on the AIME24 dataset to understand how reasoning capabilities evolve. We discover a ladder-like structure in problem difficulty, categorize questions into four tiers (Easy, Medium, Hard, and Extremely Hard (Exh)), and identify the specific requirements for advancing between tiers. We find that progression from Easy to Medium tier requires adopting an R1 reasoning style with minimal SFT (500-1K instances), while Hard-level questions suffer from frequent model's errors at each step of the reasoning chain, with accuracy plateauing at around 65% despite logarithmic scaling. Exh-level questions present a fundamentally different challenge; they require unconventional problem-solving skills that current models uniformly struggle with. Additional findings reveal that carefully curated small-scale datasets offer limited advantage-scaling dataset size proves far more effective. Our analysis provides a clearer roadmap for advancing language model capabilities in mathematical reasoning.
Authors: Zihui Zhang, Yafei Yang, Hongtao Wen, Bo Yang
Abstract: We study the hard problem of 3D object segmentation in complex point clouds without requiring human labels of 3D scenes for supervision. By relying on the similarity of pretrained 2D features or external signals such as motion to group 3D points as objects, existing unsupervised methods are usually limited to identifying simple objects like cars or their segmented objects are often inferior due to the lack of objectness in pretrained features. In this paper, we propose a new two-stage pipeline called GrabS. The core concept of our method is to learn generative and discriminative object-centric priors as a foundation from object datasets in the first stage, and then design an embodied agent to learn to discover multiple objects by querying against the pretrained generative priors in the second stage. We extensively evaluate our method on two real-world datasets and a newly created synthetic dataset, demonstrating remarkable segmentation performance, clearly surpassing all existing unsupervised methods.
Authors: Tianhe Zhang, Suhan Liu, Peng Shi
Abstract: Fairness has emerged as a critical consideration in the landscape of machine learning algorithms, particularly as AI continues to transform decision-making across societal domains. To ensure that these algorithms are free from bias and do not discriminate against individuals based on sensitive attributes such as gender and race, the field of algorithmic bias has introduced various fairness concepts, along with methodologies to achieve these notions in different contexts. Despite the rapid advancement, not all sectors have embraced these fairness principles to the same extent. One specific sector that merits attention in this regard is insurance. Within the realm of insurance pricing, fairness is defined through a distinct and specialized framework. Consequently, achieving fairness according to established notions does not automatically ensure fair pricing in insurance. In particular, regulators are increasingly emphasizing transparency in pricing algorithms and imposing constraints on insurance companies on the collection and utilization of sensitive consumer attributes. These factors present additional challenges in the implementation of fairness in pricing algorithms. To address these complexities and comply with regulatory demands, we propose an efficient method for constructing fair models that are tailored to the insurance domain, using only privatized sensitive attributes. Notably, our approach ensures statistical guarantees, does not require direct access to sensitive attributes, and adapts to varying transparency requirements, addressing regulatory demands while ensuring fairness in insurance pricing.
Authors: Yongpei Ma, Pengyu Wang, Adam Dunn, Usman Naseem, Jinman Kim
Abstract: Medical Visual Question Answering (MVQA) systems can interpret medical images in response to natural language queries. However, linguistic variability in question phrasing often undermines the consistency of these systems. To address this challenge, we propose a Semantically Equivalent Question Augmentation (SEQA) framework, which leverages large language models (LLMs) to generate diverse yet semantically equivalent rephrasings of questions. Specifically, this approach enriches linguistic diversity while preserving semantic meaning. We further introduce an evaluation metric, Total Agreement Rate with Semantically Equivalent Input and Correct Answer (TAR-SC), which assesses a model's capability to generate consistent and correct responses to semantically equivalent linguistic variations. In addition, we also propose three other diversity metrics - average number of QA items per image (ANQI), average number of questions per image with the same answer (ANQA), and average number of open-ended questions per image with the same semantics (ANQS). Using the SEQA framework, we augmented the benchmarked MVQA public datasets of SLAKE, VQA-RAD, and PathVQA. As a result, all three datasets achieved significant improvements by incorporating more semantically equivalent questions: ANQI increased by an average of 86.1, ANQA by 85.1, and ANQS by 46. Subsequent experiments evaluate three MVQA models (M2I2, MUMC, and BiomedGPT) under both zero-shot and fine-tuning settings on the enhanced datasets. Experimental results in MVQA datasets show that fine-tuned models achieve an average accuracy improvement of 19.35%, while our proposed TAR-SC metric shows an average improvement of 11. 61%, indicating a substantial enhancement in model consistency.
Authors: Guanchun Wang, Xiangrong Zhang, Yifei Zhang, Zelin Peng, Tianyang Zhang, Xu Tang, Licheng Jiao
Abstract: Unsupervised anomaly detection in hyperspectral images (HSI), aiming to detect unknown targets from backgrounds, is challenging for earth surface monitoring. However, current studies are hindered by steep computational costs due to the high-dimensional property of HSI and dense sampling-based training paradigm, constraining their rapid deployment. Our key observation is that, during training, not all samples within the same homogeneous area are indispensable, whereas ingenious sampling can provide a powerful substitute for reducing costs. Motivated by this, we propose an Asymmetrical Consensus State Space Model (ACMamba) to significantly reduce computational costs without compromising accuracy. Specifically, we design an asymmetrical anomaly detection paradigm that utilizes region-level instances as an efficient alternative to dense pixel-level samples. In this paradigm, a low-cost Mamba-based module is introduced to discover global contextual attributes of regions that are essential for HSI reconstruction. Additionally, we develop a consensus learning strategy from the optimization perspective to simultaneously facilitate background reconstruction and anomaly compression, further alleviating the negative impact of anomaly reconstruction. Theoretical analysis and extensive experiments across eight benchmarks verify the superiority of ACMamba, demonstrating a faster speed and stronger performance over the state-of-the-art.
Authors: Md Sultan Al Nahian, Chris Delcher, Daniel Harris, Peter Akpunonu, Ramakanth Kavuluru
Abstract: The ability to predict drug overdose risk from a patient's medical records is crucial for timely intervention and prevention. Traditional machine learning models have shown promise in analyzing longitudinal medical records for this task. However, recent advancements in large language models (LLMs) offer an opportunity to enhance prediction performance by leveraging their ability to process long textual data and their inherent prior knowledge across diverse tasks. In this study, we assess the effectiveness of Open AI's GPT-4o LLM in predicting drug overdose events using patients' longitudinal insurance claims records. We evaluate its performance in both fine-tuned and zero-shot settings, comparing them to strong traditional machine learning methods as baselines. Our results show that LLMs not only outperform traditional models in certain settings but can also predict overdose risk in a zero-shot setting without task-specific training. These findings highlight the potential of LLMs in clinical decision support, particularly for drug overdose risk prediction.
Authors: Huizhe Zhang, Jintang Li, Yuchang Zhu, Liang Chen, Zibin Zheng
Abstract: Graph Transformers (GTs), which simultaneously integrate message-passing and self-attention mechanisms, have achieved promising empirical results in some graph prediction tasks. Although these approaches show the potential of Transformers in capturing long-range graph topology information, issues concerning the quadratic complexity and high computing energy consumption severely limit the scalability of GTs on large-scale graphs. Recently, as brain-inspired neural networks, Spiking Neural Networks (SNNs), facilitate the development of graph representation learning methods with lower computational and storage overhead through the unique event-driven spiking neurons. Inspired by these characteristics, we propose a linear-time Graph Transformer using Spiking Vector Quantization (GT-SVQ) for node classification. GT-SVQ reconstructs codebooks based on rate coding outputs from spiking neurons, and injects the codebooks into self-attention blocks to aggregate global information in linear complexity. Besides, spiking vector quantization effectively alleviates codebook collapse and the reliance on complex machinery (distance measure, auxiliary loss, etc.) present in previous vector quantization-based graph learning methods. In experiments, we compare GT-SVQ with other state-of-the-art baselines on node classification datasets ranging from small to large. Experimental results show that GT-SVQ has achieved competitive performances on most datasets while maintaining up to 130x faster inference speed compared to other GTs.
Authors: Tom Everitt, Cristina Garbacea, Alexis Bellot, Jonathan Richens, Henry Papadatos, Sim\'eon Campos, Rohin Shah
Abstract: To what extent do LLMs use their capabilities towards their given goal? We take this as a measure of their goal-directedness. We evaluate goal-directedness on tasks that require information gathering, cognitive effort, and plan execution, where we use subtasks to infer each model's relevant capabilities. Our evaluations of LLMs from Google DeepMind, OpenAI, and Anthropic show that goal-directedness is relatively consistent across tasks, differs from task performance, and is only moderately sensitive to motivational prompts. Notably, most models are not fully goal-directed. We hope our goal-directedness evaluations will enable better monitoring of LLM progress, and enable more deliberate design choices of agentic properties in LLMs.
Authors: Ram Mohan Rao Kadiyala, Siddartha Pullakhandam, Kanwal Mehreen, Drishti Sharma, Siddhant Gupta, Jebish Purbey, Ashay Srivastava, Subhasya TippaReddy, Arvind Reddy Bobbili, Suraj Telugara Chandrashekhar, Modabbir Adeeb, Srinadh Vura, Hamza Farooq
Abstract: An ideal detection system for machine generated content is supposed to work well on any generator as many more advanced LLMs come into existence day by day. Existing systems often struggle with accurately identifying AI-generated content over shorter texts. Further, not all texts might be entirely authored by a human or LLM, hence we focused more over partial cases i.e human-LLM co-authored texts. Our paper introduces a set of models built for the task of token classification which are trained on an extensive collection of human-machine co-authored texts, which performed well over texts of unseen domains, unseen generators, texts by non-native speakers and those with adversarial inputs. We also introduce a new dataset of over 2.4M such texts mostly co-authored by several popular proprietary LLMs over 23 languages. We also present findings of our models' performance over each texts of each domain and generator. Additional findings include comparison of performance against each adversarial method, length of input texts and characteristics of generated texts compared to the original human authored texts.
Authors: Linjuan Fan, Di Wen, Kunyu Peng, Kailun Yang, Jiaming Zhang, Ruiping Liu, Yufan Chen, Junwei Zheng, Jiamin Wu, Xudong Han, Rainer Stiefelhagen
Abstract: As an open research topic in the field of deep learning, learning with noisy labels has attracted much attention and grown rapidly over the past ten years. Learning with label noise is crucial for driver distraction behavior recognition, as real-world video data often contains mislabeled samples, impacting model reliability and performance. However, label noise learning is barely explored in the driver activity recognition field. In this paper, we propose the first label noise learning approach for the driver activity recognition task. Based on the cluster assumption, we initially enable the model to learn clustering-friendly low-dimensional representations from given videos and assign the resultant embeddings into clusters. We subsequently perform co-refinement within each cluster to smooth the classifier outputs. Furthermore, we propose a flexible sample selection strategy that combines two selection criteria without relying on any hyperparameters to filter clean samples from the training dataset. We also incorporate a self-adaptive parameter into the sample selection process to enforce balancing across classes. A comprehensive variety of experiments on the public Drive&Act dataset for all granularity levels demonstrates the superior performance of our method in comparison with other label-denoising methods derived from the image classification field. The source code is available at https://github.com/ilonafan/DAR-noisy-labels.
Authors: Alberto Bemporad, Roland T\'oth
Abstract: We present a general system identification procedure capable of estimating of a broad spectrum of state-space dynamical models, including linear time-invariant (LTI), linear parameter-varying} (LPV), and nonlinear (NL) dynamics, along with rather general classes of noise models. Similar to the LTI case, we show that for this general class of model structures, including the NL case, the model dynamics can be separated into a deterministic process and a stochastic noise part, allowing to seamlessly tune the complexity of the combined model both in terms of nonlinearity and noise modeling. We parameterize the involved nonlinear functional relations by means of artificial neural-networks (ANNs), although alternative parametric nonlinear mappings can also be used. To estimate the resulting model structures, we optimize a prediction-error-based criterion using an efficient combination of a constrained quasi-Newton approach and automatic differentiation, achieving training times in the order of seconds compared to existing state-of-the-art ANN methods which may require hours for models of similar complexity. We formally establish the consistency guarantees for the proposed approach and demonstrate its superior estimation accuracy and computational efficiency on several benchmark LTI, LPV, and NL system identification problems.
Authors: Thorben Markmann, Michiel Straat, Sebastian Peitz, Barbara Hammer
Abstract: Data-driven flow control has significant potential for industry, energy systems, and climate science. In this work, we study the effectiveness of Reinforcement Learning (RL) for reducing convective heat transfer in the 2D Rayleigh-B\'enard Convection (RBC) system under increasing turbulence. We investigate the generalizability of control across varying initial conditions and turbulence levels and introduce a reward shaping technique to accelerate the training. RL agents trained via single-agent Proximal Policy Optimization (PPO) are compared to linear proportional derivative (PD) controllers from classical control theory. The RL agents reduced convection, measured by the Nusselt Number, by up to 33% in moderately turbulent systems and 10% in highly turbulent settings, clearly outperforming PD control in all settings. The agents showed strong generalization performance across different initial conditions and to a significant extent, generalized to higher degrees of turbulence. The reward shaping improved sample efficiency and consistently stabilized the Nusselt Number to higher turbulence levels.
Authors: Soobin Suh, Dabi Ahn, Heewoong Park, Jonghun Park
Abstract: Voice conversion is a task of synthesizing an utterance with target speaker's voice while maintaining linguistic information of the source utterance. While a speaker can produce varying utterances from a single script with different intonations, conventional voice conversion models were limited to producing only one result per source input. To overcome this limitation, we propose a novel approach for voice conversion with diverse intonations using conditional variational autoencoder (CVAE). Experiments have shown that the speaker's style feature can be mapped into a latent space with Gaussian distribution. We have also been able to convert voices with more diverse intonation by making the posterior of the latent space more complex with inverse autoregressive flow (IAF). As a result, the converted voice not only has a diversity of intonations, but also has better sound quality than the model without CVAE.
Authors: Yizhuo Wu, Francesco Fioranelli, Chang Gao
Abstract: Radar-based HAR has emerged as a promising alternative to conventional monitoring approaches, such as wearable devices and camera-based systems, due to its unique privacy preservation and robustness advantages. However, existing solutions based on convolutional and recurrent neural networks, although effective, are computationally demanding during deployment. This limits their applicability in scenarios with constrained resources or those requiring multiple sensors. Advanced architectures, such as ViT and SSM architectures, offer improved modeling capabilities and have made efforts toward lightweight designs. However, their computational complexity remains relatively high. To leverage the strengths of transformer architectures while simultaneously enhancing accuracy and reducing computational complexity, this paper introduces RadMamba, a parameter-efficient, radar micro-Doppler-oriented Mamba SSM specifically tailored for radar-based HAR. Across three diverse datasets, RadMamba matches the top-performing previous model's 99.8% classification accuracy on Dataset DIAT with only 1/400 of its parameters and equals the leading models' 92.0% accuracy on Dataset CI4R with merely 1/10 of their parameters. In scenarios with continuous sequences of actions evaluated on Dataset UoG2020, RadMamba surpasses other models with significantly higher parameter counts by at least 3%, achieving this with only 6.7k parameters. Our code is available at: https://github.com/lab-emi/AIRHAR.
Authors: Jonas Myhre Schi{\o}tt, Viktor Sebastian Petersen, Dimitrios P. Papadopoulos
Abstract: Computer vision models have seen increased usage in sports, and reinforcement learning (RL) is famous for beating humans in strategic games such as Chess and Go. In this paper, we are interested in building upon these advances and examining the game of classic 8-ball pool. We introduce pix2pockets, a foundation for an RL-assisted pool coach. Given a single image of a pool table, we first aim to detect the table and the balls and then propose the optimal shot suggestion. For the first task, we build a dataset with 195 diverse images where we manually annotate all balls and table dots, leading to 5748 object segmentation masks. For the second task, we build a standardized RL environment that allows easy development and benchmarking of any RL algorithm. Our object detection model yields an AP50 of 91.2 while our ball location pipeline obtains an error of only 0.4 cm. Furthermore, we compare standard RL algorithms to set a baseline for the shot suggestion task and we show that all of them fail to pocket all balls without making a foul move. We also present a simple baseline that achieves a per-shot success rate of 94.7% and clears a full game in a single turn 30% of the time.
Authors: Xhulja Shahini, Jone Bartel, Klaus Pohl
Abstract: Just in time defect prediction (JIT DP) leverages ML to identify defect-prone code commits, enabling quality assurance (QA) teams to allocate resources more efficiently by focusing on commits that are most likely to contain defects. Although JIT DP techniques have introduced improvements in terms of predictive accuracy, they are still susceptible to misclassification errors such as false positives and negatives. This can lead to wasted resources or undetected defects, a particularly critical concern when QA resources are limited. To mitigate these challenges and preserve the practical utility of JIT DP tools, it becomes essential to estimate the reliability of the predictions, i.e., computing confidence scores. Such scores can help practitioners determine the trustworthiness of predictions and thus prioritize them efficiently. A simple approach to computing confidence scores is to extract, alongside each prediction, the corresponding prediction probabilities and use them as indicators of confidence. However, for these probabilities to reliably serve as confidence scores, the predictive model must be well-calibrated. This means that the prediction probabilities must accurately represent the true likelihood of each prediction being correct. Miscalibration, common in modern ML models, distorts probability scores such that they do not align with the actual correctness probability. In this study, we evaluate the calibration of three JIT DP techniques to determine whether and to what extent they exhibit poor calibration. Furthermore, we assess whether post-calibration methods can improve the calibration of existing JIT defect prediction models. Our results reveal that all evaluated JIT DP models exhibit some level of miscalibration, with ECE ranging from 2-35%. Furthermore, post-calibration methods do not consistently improve the calibration.
Authors: Harrie Oosterhuis, Rolf Jagerman, Zhen Qin, Xuanhui Wang
Abstract: Modern retrieval systems do not rely on a single ranking model to construct their rankings. Instead, they generally take a cascading approach where a sequence of ranking models are applied in multiple re-ranking stages. Thereby, they balance the quality of the top-K ranking with computational costs by limiting the number of documents each model re-ranks. However, the cascading approach is not the only way models can interact to form a retrieval system. We propose the concept of compound retrieval systems as a broader class of retrieval systems that apply multiple prediction models. This encapsulates cascading models but also allows other types of interactions than top-K re-ranking. In particular, we enable interactions with large language models (LLMs) which can provide relative relevance comparisons. We focus on the optimization of compound retrieval system design which uniquely involves learning where to apply the component models and how to aggregate their predictions into a final ranking. This work shows how our compound approach can combine the classic BM25 retrieval model with state-of-the-art (pairwise) LLM relevance predictions, while optimizing a given ranking metric and efficiency target. Our experimental results show optimized compound retrieval systems provide better trade-offs between effectiveness and efficiency than cascading approaches, even when applied in a self-supervised manner. With the introduction of compound retrieval systems, we hope to inspire the information retrieval field to more out-of-the-box thinking on how prediction models can interact to form rankings.
Authors: Mirza Samad Ahmed Baig, Syeda Anshrah Gillani, Abdul Akbar Khan, Shahid Munir Shah
Abstract: Transformer-based architectures achieve state-of-the-art performance across a wide range of tasks in natural language processing, computer vision, and speech. However, their immense capacity often leads to overfitting, especially when training data is limited or noisy. We propose AttentionDrop, a unified family of stochastic regularization techniques that operate directly on the self-attention distributions. We introduces three variants: 1. Hard Attention Masking: randomly zeroes out top-k attention logits per query to encourage diverse context utilization. 2. Blurred Attention Smoothing: applies a dynamic Gaussian convolution over attention logits to diffuse overly peaked distributions. 3. Consistency-Regularized AttentionDrop: enforces output stability under multiple independent AttentionDrop perturbations via a KL-based consistency loss.
Authors: Laura Fieback, Nishilkumar Balar, Jakob Spiegelberg, Hanno Gottschalk
Abstract: Despite recent advances in Large Vision Language Models (LVLMs), these models still suffer from generating hallucinatory responses that do not align with the visual input provided. To mitigate such hallucinations, we introduce Efficient Contrastive Decoding (ECD), a simple method that leverages probabilistic hallucination detection to shift the output distribution towards contextually accurate answers at inference time. By contrasting token probabilities and hallucination scores, ECD subtracts hallucinated concepts from the original distribution, effectively suppressing hallucinations. Notably, our proposed method can be applied to any open-source LVLM and does not require additional LVLM training. We evaluate our method on several benchmark datasets and across different LVLMs. Our experiments show that ECD effectively mitigates hallucinations, outperforming state-of-the-art methods with respect to performance on LVLM benchmarks and computation time.
Authors: Yuan Luo, Rudolf Hoffmann, Yan Xia, Olaf Wysocki, Benedikt Schwab, Thomas H. Kolbe, Daniel Cremers
Abstract: Semantic 3D city models are worldwide easy-accessible, providing accurate, object-oriented, and semantic-rich 3D priors. To date, their potential to mitigate the noise impact on radar object detection remains under-explored. In this paper, we first introduce a unique dataset, RadarCity, comprising 54K synchronized radar-image pairs and semantic 3D city models. Moreover, we propose a novel neural network, RADLER, leveraging the effectiveness of contrastive self-supervised learning (SSL) and semantic 3D city models to enhance radar object detection of pedestrians, cyclists, and cars. Specifically, we first obtain the robust radar features via a SSL network in the radar-image pretext task. We then use a simple yet effective feature fusion strategy to incorporate semantic-depth features from semantic 3D city models. Having prior 3D information as guidance, RADLER obtains more fine-grained details to enhance radar object detection. We extensively evaluate RADLER on the collected RadarCity dataset and demonstrate average improvements of 5.46% in mean avarage precision (mAP) and 3.51% in mean avarage recall (mAR) over previous radar object detection methods. We believe this work will foster further research on semantic-guided and map-supported radar object detection. Our project page is publicly available athttps://gpp-communication.github.io/RADLER .
Authors: Yuling Jiao, Yanming Lai, Defeng Sun, Yang Wang, Bokai Yan
Abstract: We explore the approximation capabilities of Transformer networks for H\"older and Sobolev functions, and apply these results to address nonparametric regression estimation with dependent observations. First, we establish novel upper bounds for standard Transformer networks approximating sequence-to-sequence mappings whose component functions are H\"older continuous with smoothness index $\gamma \in (0,1]$. To achieve an approximation error $\varepsilon$ under the $L^p$-norm for $p \in [1, \infty]$, it suffices to use a fixed-depth Transformer network whose total number of parameters scales as $\varepsilon^{-d_x n / \gamma}$. This result not only extends existing findings to include the case $p = \infty$, but also matches the best known upper bounds on number of parameters previously obtained for fixed-depth FNNs and RNNs. Similar bounds are also derived for Sobolev functions. Second, we derive explicit convergence rates for the nonparametric regression problem under various $\beta$-mixing data assumptions, which allow the dependence between observations to weaken over time. Our bounds on the sample complexity impose no constraints on weight magnitudes. Lastly, we propose a novel proof strategy to establish approximation bounds, inspired by the Kolmogorov-Arnold representation theorem. We show that if the self-attention layer in a Transformer can perform column averaging, the network can approximate sequence-to-sequence H\"older functions, offering new insights into the interpretability of self-attention mechanisms.
Authors: Alejandro Newell, Peiyun Hu, Lahav Lipson, Stephan R. Richter, Vladlen Koltun
Abstract: We introduce an approach for detecting and tracking detailed 3D poses of multiple people from a single monocular camera stream. Our system maintains temporally coherent predictions in crowded scenes filled with difficult poses and occlusions. Our model performs both strong per-frame detection and a learned pose update to track people from frame to frame. Rather than match detections across time, poses are updated directly from a new input image, which enables online tracking through occlusion. We train on numerous image and video datasets leveraging pseudo-labeled annotations to produce a model that matches state-of-the-art systems in 3D pose estimation accuracy while being faster and more accurate in tracking multiple people through time. Code and weights are provided at https://github.com/apple/ml-comotion
Authors: C\'eline Budding
Abstract: It is sometimes assumed that Large Language Models (LLMs) know language, or for example that they know that Paris is the capital of France. But what -- if anything -- do LLMs actually know? In this paper, I argue that LLMs can acquire tacit knowledge as defined by Martin Davies (1990). Whereas Davies himself denies that neural networks can acquire tacit knowledge, I demonstrate that certain architectural features of LLMs satisfy the constraints of semantic description, syntactic structure, and causal systematicity. Thus, tacit knowledge may serve as a conceptual framework for describing, explaining, and intervening on LLMs and their behavior.
Authors: Kiljae Lee, Yuan Zhang
Abstract: Conformal prediction (CP) is an important tool for distribution-free predictive uncertainty quantification. Yet, a major challenge is to balance computational efficiency and prediction accuracy, particularly for multiple predictions. We propose Leave-One-Out Stable Conformal Prediction (LOO-StabCP), a novel method to speed up full conformal using algorithmic stability without sample splitting. By leveraging leave-one-out stability, our method is much faster in handling a large number of prediction requests compared to existing method RO-StabCP based on replace-one stability. We derived stability bounds for several popular machine learning tools: regularized loss minimization (RLM) and stochastic gradient descent (SGD), as well as kernel method, neural networks and bagging. Our method is theoretically justified and demonstrates superior numerical performance on synthetic and real-world data. We applied our method to a screening problem, where its effective exploitation of training data led to improved test power compared to state-of-the-art method based on split conformal.
Authors: Tingyang Sun, Tuan Nguyen, Ting He
Abstract: Decentralized federated learning (DFL) is a promising machine learning paradigm for bringing artificial intelligence (AI) capabilities to the network edge. Running DFL on top of edge networks, however, faces severe performance challenges due to the extensive parameter exchanges between agents. Most existing solutions for these challenges were based on simplistic communication models, which cannot capture the case of learning over a multi-hop bandwidth-limited network. In this work, we address this problem by jointly designing the communication scheme for the overlay network formed by the agents and the mixing matrix that controls the communication demands between the agents. By carefully analyzing the properties of our problem, we cast each design problem into a tractable optimization and develop an efficient algorithm with guaranteed performance. Our evaluations based on real topology and data show that the proposed algorithm can reduce the total training time by over $80\%$ compared to the baseline without sacrificing accuracy, while significantly improving the computational efficiency over the state of the art.
Authors: Siyan Zhao, Devaansh Gupta, Qinqing Zheng, Aditya Grover
Abstract: Recent large language models (LLMs) have demonstrated strong reasoning capabilities that benefits from online reinforcement learning (RL). These capabilities have primarily been demonstrated within the left-to-right autoregressive (AR) generation paradigm. In contrast, non-autoregressive paradigms based on diffusion generate text in a coarse-to-fine manner. Although recent diffusion-based large language models (dLLMs) have achieved competitive language modeling performance compared to their AR counterparts, it remains unclear if dLLMs can also leverage recent advances in LLM reasoning. To this end, we propose d1, a framework to adapt pre-trained masked dLLMs into reasoning models via a combination of supervised finetuning (SFT) and RL. Specifically, we develop and extend techniques to improve reasoning in pretrained dLLMs: (a) we utilize a masked SFT technique to distill knowledge and instill self-improvement behavior directly from existing datasets, and (b) we introduce a novel critic-free, policy-gradient based RL algorithm called diffu-GRPO. Through empirical studies, we investigate the performance of different post-training recipes on multiple mathematical and logical reasoning benchmarks. We find that d1 yields the best performance and significantly improves performance of a state-of-the-art dLLM.
Authors: Zhijin He, Alan B. McMillan
Abstract: The application of artificial intelligence (AI) in medical imaging has revolutionized diagnostic practices, enabling advanced analysis and interpretation of radiological data. This study presents a comprehensive evaluation of radiomics-based and deep learning-based approaches for disease detection in chest radiography, focusing on COVID-19, lung opacity, and viral pneumonia. While deep learning models, particularly convolutional neural networks (CNNs) and vision transformers (ViTs), learn directly from image data, radiomics-based models extract and analyze quantitative features, potentially providing advantages in data-limited scenarios. This study systematically compares the diagnostic accuracy and robustness of various AI models, including Decision Trees, Gradient Boosting, Random Forests, Support Vector Machines (SVM), and Multi-Layer Perceptrons (MLP) for radiomics, against state-of-the-art computer vision deep learning architectures. Performance metrics across varying sample sizes reveal insights into each model's efficacy, highlighting the contexts in which specific AI approaches may offer enhanced diagnostic capabilities. The results aim to inform the integration of AI-driven diagnostic tools in clinical practice, particularly in automated and high-throughput environments where timely, reliable diagnosis is critical. This comparative study addresses an essential gap, establishing guidance for the selection of AI models based on clinical and operational needs.
Authors: Andreas Plesner, Turlan Kuzhagaliyev, Roger Wattenhofer
Abstract: Over the past years, advances in artificial intelligence (AI) have demonstrated how AI can solve many perception and generation tasks, such as image classification and text writing, yet reasoning remains a challenge. This paper introduces the FLIP dataset, a benchmark for evaluating AI reasoning capabilities based on human verification tasks on the Idena blockchain. FLIP challenges present users with two orderings of 4 images, requiring them to identify the logically coherent one. By emphasizing sequential reasoning, visual storytelling, and common sense, FLIP provides a unique testbed for multimodal AI systems. Our experiments evaluate state-of-the-art models, leveraging both vision-language models (VLMs) and large language models (LLMs). Results reveal that even the best open-sourced and closed-sourced models achieve maximum accuracies of 75.5% and 77.9%, respectively, in zero-shot settings, compared to human performance of 95.3%. Captioning models aid reasoning models by providing text descriptions of images, yielding better results than when using the raw images directly, 69.6% vs. 75.2% for Gemini 1.5 Pro. Combining the predictions from 15 models in an ensemble increases the accuracy to 85.2%. These findings highlight the limitations of existing reasoning models and the need for robust multimodal benchmarks like FLIP. The full codebase and dataset will be available at https://github.com/aplesner/FLIP-Reasoning-Challenge.
Authors: Kong Ka Hing, Mehran Behjati
Abstract: Hornbills, an iconic species of Malaysia's biodiversity, face threats from habi-tat loss, poaching, and environmental changes, necessitating accurate and real-time population monitoring that is traditionally challenging and re-source intensive. The emergence of Tiny Machine Learning (TinyML) offers a chance to transform wildlife monitoring by enabling efficient, real-time da-ta analysis directly on edge devices. Addressing the challenge of wildlife conservation, this research paper explores the pivotal role of machine learn-ing, specifically TinyML, in the classification and monitoring of hornbill calls in Malaysia. Leveraging audio data from the Xeno-canto database, the study aims to develop a speech recognition system capable of identifying and classifying hornbill vocalizations. The proposed methodology involves pre-processing the audio data, extracting features using Mel-Frequency Energy (MFE), and deploying the model on an Arduino Nano 33 BLE, which is adept at edge computing. The research encompasses foundational work, in-cluding a comprehensive introduction, literature review, and methodology. The model is trained using Edge Impulse and validated through real-world tests, achieving high accuracy in hornbill species identification. The project underscores the potential of TinyML for environmental monitoring and its broader application in ecological conservation efforts, contributing to both the field of TinyML and wildlife conservation.
Authors: Mikhail Osipov
Abstract: We present a geometry-driven method for normalizing dysarthric speech using local Lie group transformations of spectrograms. Time, frequency, and amplitude distortions are modeled as smooth, invertible deformations, parameterized by scalar fields and applied via exponential maps. A neural network is trained to infer these fields from synthetic distortions of typical speech-without using any pathological data. At test time, the model applies an approximate inverse to real dysarthric inputs. Despite zero-shot generalization, we observe substantial ASR gains, including up to 16 percentage points WER reduction on challenging TORGO samples, with no degradation on clean speech. This work introduces a principled, interpretable approach for robust speech recognition under motor speech disorders
Authors: Aditya Prakash, Benjamin Lundell, Dmitry Andreychuk, David Forsyth, Saurabh Gupta, Harpreet Sawhney
Abstract: We tackle the novel problem of predicting 3D hand motion and contact maps (or Interaction Trajectories) given a single RGB view, action text, and a 3D contact point on the object as input. Our approach consists of (1) Interaction Codebook: a VQVAE model to learn a latent codebook of hand poses and contact points, effectively tokenizing interaction trajectories, (2) Interaction Predictor: a transformer-decoder module to predict the interaction trajectory from test time inputs by using an indexer module to retrieve a latent affordance from the learned codebook. To train our model, we develop a data engine that extracts 3D hand poses and contact trajectories from the diverse HoloAssist dataset. We evaluate our model on a benchmark that is 2.5-10X larger than existing works, in terms of diversity of objects and interactions observed, and test for generalization of the model across object categories, action categories, tasks, and scenes. Experimental results show the effectiveness of our approach over transformer & diffusion baselines across all settings.
Authors: Shuming Ma, Hongyu Wang, Shaohan Huang, Xingxing Zhang, Ying Hu, Ting Song, Yan Xia, Furu Wei
Abstract: We introduce BitNet b1.58 2B4T, the first open-source, native 1-bit Large Language Model (LLM) at the 2-billion parameter scale. Trained on a corpus of 4 trillion tokens, the model has been rigorously evaluated across benchmarks covering language understanding, mathematical reasoning, coding proficiency, and conversational ability. Our results demonstrate that BitNet b1.58 2B4T achieves performance on par with leading open-weight, full-precision LLMs of similar size, while offering significant advantages in computational efficiency, including substantially reduced memory footprint, energy consumption, and decoding latency. To facilitate further research and adoption, the model weights are released via Hugging Face along with open-source inference implementations for both GPU and CPU architectures.
Authors: Liam Schoneveld, Zhe Chen, Davide Davoli, Jiapeng Tang, Saimon Terazawa, Ko Nishino, Matthias Nie{\ss}ner
Abstract: Accurate, real-time 3D reconstruction of human heads from monocular images and videos underlies numerous visual applications. As 3D ground truth data is hard to come by at scale, previous methods have sought to learn from abundant 2D videos in a self-supervised manner. Typically, this involves the use of differentiable mesh rendering, which is effective but faces limitations. To improve on this, we propose SHeaP (Self-supervised Head Geometry Predictor Learned via 2D Gaussians). Given a source image, we predict a 3DMM mesh and a set of Gaussians that are rigged to this mesh. We then reanimate this rigged head avatar to match a target frame, and backpropagate photometric losses to both the 3DMM and Gaussian prediction networks. We find that using Gaussians for rendering substantially improves the effectiveness of this self-supervised approach. Training solely on 2D data, our method surpasses existing self-supervised approaches in geometric evaluations on the NoW benchmark for neutral faces and a new benchmark for non-neutral expressions. Our method also produces highly expressive meshes, outperforming state-of-the-art in emotion classification.
Authors: Marko Tot, Shu Ishida, Abdelhak Lemkhenter, David Bignell, Pallavi Choudhury, Chris Lovett, Luis Fran\c{c}a, Matheus Ribeiro Furtado de Mendon\c{c}a, Tarun Gupta, Darren Gehring, Sam Devlin, Sergio Valcarcel Macua, Raluca Georgescu
Abstract: Imitation learning is a powerful tool for training agents by leveraging expert knowledge, and being able to replicate a given trajectory is an integral part of it. In complex environments, like modern 3D video games, distribution shift and stochasticity necessitate robust approaches beyond simple action replay. In this study, we apply Inverse Dynamics Models (IDM) with different encoders and policy heads to trajectory following in a modern 3D video game -- Bleeding Edge. Additionally, we investigate several future alignment strategies that address the distribution shift caused by the aleatoric uncertainty and imperfections of the agent. We measure both the trajectory deviation distance and the first significant deviation point between the reference and the agent's trajectory and show that the optimal configuration depends on the chosen setting. Our results show that in a diverse data setting, a GPT-style policy head with an encoder trained from scratch performs the best, DINOv2 encoder with the GPT-style policy head gives the best results in the low data regime, and both GPT-style and MLP-style policy heads had comparable results when pre-trained on a diverse setting and fine-tuned for a specific behaviour setting.
Authors: Rafed Muhammad Yasir, Naushin Nower, Mohammad Shoyaib
Abstract: The prediction of traffic congestion can serve a crucial role in making future decisions. Although many studies have been conducted regarding congestion, most of these could not cover all the important factors (e.g., weather conditions). We proposed a prediction model for traffic congestion that can predict congestion based on day, time and several weather data (e.g., temperature, humidity). To evaluate our model, it has been tested against the traffic data of New Delhi. With this model, congestion of a road can be predicted one week ahead with an average RMSE of 1.12. Therefore, this model can be used to take preventive measure beforehand.
Authors: Haoyi Niu, Tianying Ji, Bingqi Liu, Haocheng Zhao, Xiangyu Zhu, Jianying Zheng, Pengfei Huang, Guyue Zhou, Jianming Hu, Xianyuan Zhan
Abstract: Solving real-world complex tasks using reinforcement learning (RL) without high-fidelity simulation environments or large amounts of offline data can be quite challenging. Online RL agents trained in imperfect simulation environments can suffer from severe sim-to-real issues. Offline RL approaches although bypass the need for simulators, often pose demanding requirements on the size and quality of the offline datasets. The recently emerged hybrid offline-and-online RL provides an attractive framework that enables joint use of limited offline data and imperfect simulator for transferable policy learning. In this paper, we develop a new algorithm, called H2O+, which offers great flexibility to bridge various choices of offline and online learning methods, while also accounting for dynamics gaps between the real and simulation environment. Through extensive simulation and real-world robotics experiments, we demonstrate superior performance and flexibility over advanced cross-domain online and offline RL algorithms.
Authors: Eslam Abdelaleem, Ilya Nemenman, K. Michael Martini
Abstract: Variational dimensionality reduction methods are widely used for their accuracy, generative capabilities, and robustness. We introduce a unifying framework that generalizes both such as traditional and state-of-the-art methods. The framework is based on an interpretation of the multivariate information bottleneck, trading off the information preserved in an encoder graph (defining what to compress) against that in a decoder graph (defining a generative model for data). Using this approach, we rederive existing methods, including the deep variational information bottleneck, variational autoencoders, and deep multiview information bottleneck. We naturally extend the deep variational CCA (DVCCA) family to beta-DVCCA and introduce a new method, the deep variational symmetric information bottleneck (DVSIB). DSIB, the deterministic limit of DVSIB, connects to modern contrastive learning approaches such as Barlow Twins, among others. We evaluate these methods on Noisy MNIST and Noisy CIFAR-100, showing that algorithms better matched to the structure of the problem like DVSIB and beta-DVCCA produce better latent spaces as measured by classification accuracy, dimensionality of the latent variables, sample efficiency, and consistently outperform other approaches under comparable conditions. Additionally, we benchmark against state-of-the-art models, achieving superior or competitive accuracy. Our results demonstrate that this framework can seamlessly incorporate diverse multi-view representation learning algorithms, providing a foundation for designing novel, problem-specific loss functions.
Authors: Eran Zvuloni, Leo Anthony Celi, Joachim A. Behar
Abstract: The scientific community is increasingly recognizing the importance of generalization in medical AI for translating research into practical clinical applications. A three-level scale is introduced to characterize out-of-distribution generalization performance of medical AI models. This scale addresses the diversity of real-world medical scenarios as well as whether target domain data and labels are available for model recalibration. It serves as a tool to help researchers characterize their development settings and determine the best approach to tackling the challenge of out-of-distribution generalization.
Authors: Le Thi Khanh Hien, Valentin Leplat, Nicolas Gillis
Abstract: We propose a Block Majorization Minimization method with Extrapolation (BMMe) for solving a class of multi-convex optimization problems. The extrapolation parameters of BMMe are updated using a novel adaptive update rule. By showing that block majorization minimization can be reformulated as a block mirror descent method, with the Bregman divergence adaptively updated at each iteration, we establish subsequential convergence for BMMe. We use this method to design efficient algorithms to tackle nonnegative matrix factorization problems with the $\beta$-divergences ($\beta$-NMF) for $\beta\in [1,2]$. These algorithms, which are multiplicative updates with extrapolation, benefit from our novel results that offer convergence guarantees. We also empirically illustrate the significant acceleration of BMMe for $\beta$-NMF through extensive experiments.
Authors: Lazar Atanackovic, Emmanuel Bengio
Abstract: Generative Flow Networks (GFlowNets, GFNs) are a generative framework for learning unnormalized probability mass functions over discrete spaces. Since their inception, GFlowNets have proven to be useful for learning generative models in applications where the majority of the discrete space is unvisited during training. This has inspired some to hypothesize that GFlowNets, when paired with deep neural networks (DNNs), have favorable generalization properties. In this work, we empirically verify some of the hypothesized mechanisms of generalization of GFlowNets. We accomplish this by introducing a novel graph-based benchmark environment where reward difficulty can be easily varied, $p(x)$ can be computed exactly, and an unseen test set can be constructed to quantify generalization performance. Using this graph-based environment, we are able to systematically test the hypothesized mechanisms of generalization of GFlowNets and put forth a set of empirical observations that summarize our findings. In particular, we find (and confirm) that the functions that GFlowNets learn to approximate have an implicit underlying structure which facilitate generalization. Surprisingly -- and somewhat contradictory to existing knowledge -- we also find that GFlowNets are sensitive to being trained offline and off-policy. However, the reward implicitly learned by GFlowNets is robust to changes in the training distribution.
Authors: Leo Schwinn, David Dobre, Sophie Xhonneux, Gauthier Gidel, Stephan Gunnemann
Abstract: Current research in adversarial robustness of LLMs focuses on discrete input manipulations in the natural language space, which can be directly transferred to closed-source models. However, this approach neglects the steady progression of open-source models. As open-source models advance in capability, ensuring their safety also becomes increasingly imperative. Yet, attacks tailored to open-source LLMs that exploit full model access remain largely unexplored. We address this research gap and propose the embedding space attack, which directly attacks the continuous embedding representation of input tokens. We find that embedding space attacks circumvent model alignments and trigger harmful behaviors more efficiently than discrete attacks or model fine-tuning. Furthermore, we present a novel threat model in the context of unlearning and show that embedding space attacks can extract supposedly deleted information from unlearned LLMs across multiple datasets and models. Our findings highlight embedding space attacks as an important threat model in open-source LLMs. Trigger Warning: the appendix contains LLM-generated text with violence and harassment.
Authors: Tobias Ladner, Michael Eichelbeck, Matthias Althoff
Abstract: Graph neural networks are becoming increasingly popular in the field of machine learning due to their unique ability to process data structured in graphs. They have also been applied in safety-critical environments where perturbations inherently occur. However, these perturbations require us to formally verify neural networks before their deployment in safety-critical environments as neural networks are prone to adversarial attacks. While there exists research on the formal verification of neural networks, there is no work verifying the robustness of generic graph convolutional network architectures with uncertainty in the node features and in the graph structure over multiple message-passing steps. This work addresses this research gap by explicitly preserving the non-convex dependencies of all elements in the underlying computations through reachability analysis with (matrix) polynomial zonotopes. We demonstrate our approach on three popular benchmark datasets.
Authors: Markus Lange-Hegermann, Christoph Zimmer
Abstract: Experimental exploration of high-cost systems with safety constraints, common in engineering applications, is a challenging endeavor. Data-driven models offer a promising solution, but acquiring the requisite data remains expensive and is potentially unsafe. Safe active learning techniques prove essential, enabling the learning of high-quality models with minimal expensive data points and high safety. This paper introduces a safe active learning framework tailored for time-varying systems, addressing drift, seasonal changes, and complexities due to dynamic behavior. The proposed Time-aware Integrated Mean Squared Prediction Error (T-IMSPE) method minimizes posterior variance over current and future states, optimizing information gathering also in the time domain. Empirical results highlight T-IMSPE's advantages in model quality through toy and real-world examples. State of the art Gaussian processes are compatible with T-IMSPE. Our theoretical contributions include a clear delineation which Gaussian process kernels, domains, and weighting measures are suitable for T-IMSPE and even beyond for its non-time aware predecessor IMSPE.
Authors: Konstantin Hemker, Nikola Simidjievski, Mateja Jamnik
Abstract: Learning holistic computational representations in physical, chemical or biological systems requires the ability to process information from different distributions and modalities within the same model. Thus, the demand for multimodal machine learning models has sharply risen for modalities that go beyond vision and language, such as sequences, graphs, time series, or tabular data. While there are many available multimodal fusion and alignment approaches, most of them require end-to-end training, scale quadratically with the number of modalities, cannot handle cases of high modality imbalance in the training set, or are highly topology-specific, making them too restrictive for many biomedical learning tasks. This paper presents Multimodal Lego (MM-Lego), a general-purpose fusion framework to turn any set of encoders into a competitive multimodal model with no or minimal fine-tuning. We achieve this by introducing a wrapper for any unimodal encoder that enforces shape consistency between modality representations. It harmonises these representations by learning features in the frequency domain to enable model merging with little signal interference. We show that MM-Lego 1) can be used as a model merging method which achieves competitive performance with end-to-end fusion models without any fine-tuning, 2) can operate on any unimodal encoder, and 3) is a model fusion method that, with minimal fine-tuning, surpasses all benchmarks in five out of seven datasets.
Authors: Wei Li, Pin-Yu Chen, Sijia Liu, Ren Wang
Abstract: Deep neural networks are susceptible to backdoor attacks, where adversaries manipulate model predictions by inserting malicious samples into the training data. Currently, there is still a significant challenge in identifying suspicious training data to unveil potential backdoor samples. In this paper, we propose a novel method, Prediction Shift Backdoor Detection (PSBD), leveraging an uncertainty-based approach requiring minimal unlabeled clean validation data. PSBD is motivated by an intriguing Prediction Shift (PS) phenomenon, where poisoned models' predictions on clean data often shift away from true labels towards certain other labels with dropout applied during inference, while backdoor samples exhibit less PS. We hypothesize PS results from the neuron bias effect, making neurons favor features of certain classes. PSBD identifies backdoor training samples by computing the Prediction Shift Uncertainty (PSU), the variance in probability values when dropout layers are toggled on and off during model inference. Extensive experiments have been conducted to verify the effectiveness and efficiency of PSBD, which achieves state-of-the-art results among mainstream detection methods. The code is available at https://github.com/WL-619/PSBD.
Authors: Evgenia Rusak, Patrik Reizinger, Attila Juhos, Oliver Bringmann, Roland S. Zimmermann, Wieland Brendel
Abstract: Prior theory work on Contrastive Learning via the InfoNCE loss showed that, under certain assumptions, the learned representations recover the ground-truth latent factors. We argue that these theories overlook crucial aspects of how CL is deployed in practice. Specifically, they either assume equal variance across all latents or that certain latents are kept invariant. However, in practice, positive pairs are often generated using augmentations such as strong cropping to just a few pixels. Hence, a more realistic assumption is that all latent factors change with a continuum of variability across all factors. We introduce AnInfoNCE, a generalization of InfoNCE that can provably uncover the latent factors in this anisotropic setting, broadly generalizing previous identifiability results in CL. We validate our identifiability results in controlled experiments and show that AnInfoNCE increases the recovery of previously collapsed information in CIFAR10 and ImageNet, albeit at the cost of downstream accuracy. Finally, we discuss the remaining mismatches between theoretical assumptions and practical implementations.
Authors: Kevin Qiu, W{\l}adys{\l}aw Pa{\l}ucki, Krzysztof Ciebiera, Pawe{\l} Fija{\l}kowski, Marek Cygan, {\L}ukasz Kuci\'nski
Abstract: We introduce RoboMorph, an automated approach for generating and optimizing modular robot designs using large language models (LLMs) and evolutionary algorithms. In this framework, we represent each robot design as a grammar and leverage the capabilities of LLMs to navigate the extensive robot design space, which is traditionally time-consuming and computationally demanding. By introducing a best-shot prompting technique and a reinforcement learning-based control algorithm, RoboMorph iteratively improves robot designs through feedback loops. Experimental results demonstrate that RoboMorph successfully generates nontrivial robots optimized for different terrains while showcasing improvements in robot morphology over successive evolutions. Our approach highlights the potential of using LLMs for data-driven, modular robot design, providing a promising methodology that can be extended to other domains with similar design frameworks.
Authors: Arun Verma, Zhongxiang Dai, Xiaoqiang Lin, Patrick Jaillet, Bryan Kian Hsiang Low
Abstract: Contextual dueling bandit is used to model the bandit problems, where a learner's goal is to find the best arm for a given context using observed noisy human preference feedback over the selected arms for the past contexts. However, existing algorithms assume the reward function is linear, which can be complex and non-linear in many real-life applications like online recommendations or ranking web search results. To overcome this challenge, we use a neural network to estimate the reward function using preference feedback for the previously selected arms. We propose upper confidence bound- and Thompson sampling-based algorithms with sub-linear regret guarantees that efficiently select arms in each round. We also extend our theoretical results to contextual bandit problems with binary feedback, which is in itself a non-trivial contribution. Experimental results on the problem instances derived from synthetic datasets corroborate our theoretical results.
Authors: Pritthijit Nath, Henry Moss, Emily Shuckburgh, Mark Webb
Abstract: This study explores integrating reinforcement learning (RL) with idealised climate models to address key parameterisation challenges in climate science. Current climate models rely on complex mathematical parameterisations to represent sub-grid scale processes, which can introduce substantial uncertainties. RL offers capabilities to enhance these parameterisation schemes, including direct interaction, handling sparse or delayed feedback, continuous online learning, and long-term optimisation. We evaluate the performance of eight RL algorithms on two idealised environments: one for temperature bias correction, another for radiative-convective equilibrium (RCE) imitating real-world computational constraints. Results show different RL approaches excel in different climate scenarios with exploration algorithms performing better in bias correction, while exploitation algorithms proving more effective for RCE. These findings support the potential of RL-based parameterisation schemes to be integrated into global climate models, improving accuracy and efficiency in capturing complex climate dynamics. Overall, this work represents an important first step towards leveraging RL to enhance climate model accuracy, critical for improving climate understanding and predictions. Code accessible at https://github.com/p3jitnath/climate-rl.
Authors: Gokul Bhusal, Kevin Miller, Ekaterina Merkurjev
Abstract: Active learning enhances the performance of machine learning methods, particularly in semi-supervised cases, by judiciously selecting a limited number of unlabeled data points for labeling, with the goal of improving the performance of an underlying classifier. In this work, we introduce the Multiclass Active Learning with Auction Dynamics on Graphs (MALADY) framework which leverages the auction dynamics algorithm on similarity graphs for efficient active learning. In particular, we generalize the auction dynamics algorithm on similarity graphs for semi-supervised learning in [24] to incorporate a more general optimization functional. Moreover, we introduce a novel active learning acquisition function that uses the dual variable of the auction algorithm to measure the uncertainty in the classifier to prioritize queries near the decision boundaries between different classes. Lastly, using experiments on classification tasks, we evaluate the performance of our proposed method and show that it exceeds that of comparison algorithms.
Authors: Alejandro Garc\'ia-Castellanos, Giovanni Luca Marchetti, Danica Kragic, Martina Scolamiero
Abstract: Relative representations are an established approach to zero-shot model stitching, consisting of a non-trainable transformation of the latent space of a deep neural network. Based on insights of topological and geometric nature, we propose two improvements to relative representations. First, we introduce a normalization procedure in the relative transformation, resulting in invariance to non-isotropic rescalings and permutations. The latter coincides with the symmetries in parameter space induced by common activation functions. Second, we propose to deploy topological densification when fine-tuning relative representations, a topological regularization loss encouraging clustering within classes. We provide an empirical investigation on a natural language task, where both the proposed variations yield improved performance on zero-shot model stitching.
Authors: Joseph Lee, Shu Yang, Jae Young Baik, Xiaoxi Liu, Zhen Tan, Dawei Li, Zixuan Wen, Bojian Hou, Duy Duong-Tran, Tianlong Chen, Li Shen
Abstract: Predicting phenotypes with complex genetic bases based on a small, interpretable set of variant features remains a challenging task. Conventionally, data-driven approaches are utilized for this task, yet the high dimensional nature of genotype data makes the analysis and prediction difficult. Motivated by the extensive knowledge encoded in pre-trained LLMs and their success in processing complex biomedical concepts, we set to examine the ability of LLMs in feature selection and engineering for tabular genotype data, with a novel knowledge-driven framework. We develop FREEFORM, Free-flow Reasoning and Ensembling for Enhanced Feature Output and Robust Modeling, designed with chain-of-thought and ensembling principles, to select and engineer features with the intrinsic knowledge of LLMs. Evaluated on two distinct genotype-phenotype datasets, genetic ancestry and hereditary hearing loss, we find this framework outperforms several data-driven methods, particularly on low-shot regimes. FREEFORM is available as open-source framework at GitHub: https://github.com/PennShenLab/FREEFORM.
Authors: Nurbek Tastan, Samuel Horvath, Martin Takac, Karthik Nandakumar
Abstract: Statistical data heterogeneity is a significant barrier to convergence in federated learning (FL). While prior work has advanced heterogeneous FL through better optimization objectives, these methods fall short when there is extreme data heterogeneity among collaborating participants. We hypothesize that convergence under extreme data heterogeneity is primarily hindered due to the aggregation of conflicting updates from the participants in the initial collaboration rounds. To overcome this problem, we propose a warmup phase where each participant learns a personalized mask and updates only a subnetwork of the full model. This personalized warmup allows the participants to focus initially on learning specific subnetworks tailored to the heterogeneity of their data. After the warmup phase, the participants revert to standard federated optimization, where all parameters are communicated. We empirically demonstrate that the proposed personalized warmup via subnetworks (FedPeWS) approach improves accuracy and convergence speed over standard federated optimization methods.
Authors: Anastasiia Filippova, Angelos Katharopoulos, David Grangier, Ronan Collobert
Abstract: We introduce SMALLTALK LM, an innovative method for training a mixture of language models in an almost asynchronous manner. Each model of the mixture specializes in distinct parts of the data distribution, without the need for high-bandwidth communication between the nodes training each model. At inference, a lightweight router directs a given sequence to a single expert, according to a short prefix. This inference scheme naturally uses a fraction of the parameters from the overall mixture model. Unlike prior works on asynchronous LLM training, our routing method does not rely on full corpus clustering or access to metadata, making it more suitable for real-world applications. Our experiments on language modeling demonstrate that SMALLTALK LM achieves significantly lower perplexity than dense model baselines for the same total training FLOPs and an almost identical inference cost. Finally, in our downstream evaluations we outperform the dense baseline on 75% of the tasks.
Authors: Jiaxu Li, Kejia Fan, Songning Lai, Linpu Lv, Jinfeng Xu, Jianheng Tang, Anfeng Liu, Houbing Herbert Song, Yutao Yue, Yunhuai Liu, Huiping Zhuang
Abstract: Time series classification underpins critical applications such as healthcare diagnostics and gesture-driven interactive systems in multimedia scenarios. However, time series class-incremental learning (TSCIL) faces two major challenges: catastrophic forgetting and intra-class variations. Catastrophic forgetting occurs because gradient-based parameter update strategies inevitably erase past knowledge. And unlike images, time series data exhibits subject-specific patterns, also known as intra-class variations, which refer to differences in patterns observed within the same class. While exemplar-based methods fail to cover diverse variation with limited samples, existing exemplar-free methods lack explicit mechanisms to handle intra-class variations. To address these two challenges, we propose TS-ACL, which leverages a gradient-free closed-form solution to avoid the catastrophic forgetting problem inherent in gradient-based optimization methods while simultaneously learning global distributions to resolve intra-class variations. Additionally, it provides privacy protection and efficiency. Extensive experiments on five benchmark datasets covering various sensor modalities and tasks demonstrate that TS-ACL achieves performance close to joint training on four datasets, outperforming existing methods and establishing a new state-of-the-art (SOTA) for TSCIL.
Authors: Pengfei Hu, Chang Lu, Fei Wang, Yue Ning
Abstract: Despite the growing use of Electronic Health Records (EHR) for AI-assisted diagnosis prediction, most data-driven models struggle to incorporate clinically meaningful medical knowledge. They often rely on limited ontologies, lacking structured reasoning capabilities and comprehensive coverage. This raises an important research question: Will medical knowledge improve predictive models to support stepwise clinical reasoning as performed by human doctors? To address this problem, we propose DuaLK, a dual-expertise framework that combines two complementary sources of information. For external knowledge, we construct a Diagnosis Knowledge Graph (KG) that encodes both hierarchical and semantic relations enriched by large language models (LLM). To align with patient data, we further introduce a lab-informed proxy task that guides the model to follow a clinically consistent, stepwise reasoning process based on lab test signals. Experimental results on two public EHR datasets demonstrate that DuaLK consistently outperforms existing baselines across four clinical prediction tasks. These findings highlight the potential of combining structured medical knowledge with individual-level clinical signals to achieve more accurate and interpretable diagnostic predictions. The source code is publicly available on https://github.com/humphreyhuu/DuaLK.
Authors: Juntong Chen, Johannes Schmidt-Hieber, Claire Donnat, Olga Klopp
Abstract: Graph Convolutional Networks (GCNs) have become a pivotal method in machine learning for modeling functions over graphs. Despite their widespread success across various applications, their statistical properties (e.g., consistency, convergence rates) remain ill-characterized. To begin addressing this knowledge gap, we consider networks for which the graph structure implies that neighboring nodes exhibit similar signals and provide statistical theory for the impact of convolution operators. Focusing on estimators based solely on neighborhood aggregation, we examine how two common convolutions - the original GCN and GraphSAGE convolutions - affect the learning error as a function of the neighborhood topology and the number of convolutional layers. We explicitly characterize the bias-variance type trade-off incurred by GCNs as a function of the neighborhood size and identify specific graph topologies where convolution operators are less effective. Our theoretical findings are corroborated by synthetic experiments, and provide a start to a deeper quantitative understanding of convolutional effects in GCNs for offering rigorous guidelines for practitioners.
Authors: Yifan Deng, Spencer S. Ericksen, Anthony Gitter
Abstract: The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening to find molecules with desired properties to directly generating those molecules. However, multi-modal models combining text and molecules are often trained from scratch, without leveraging existing high-quality pretrained models. Training from scratch consumes more computational resources and prohibits model scaling. In contrast, we propose a lightweight adapter-based strategy named Chemical Language Model Linker (ChemLML). ChemLML blends the two single domain models and obtains conditional molecular generation from text descriptions while still operating in the specialized embedding spaces of the molecular domain. ChemLML can tailor diverse pretrained text models for molecule generation by training relatively few adapter parameters. We find that the choice of molecular representation used within ChemLML, SMILES versus SELFIES, has a strong influence on conditional molecular generation performance. SMILES is often preferable despite not guaranteeing valid molecules. We raise issues in using the entire PubChem dataset of molecules and their associated descriptions for evaluating molecule generation and provide a filtered version of the dataset as a generation test set. To demonstrate how ChemLML could be used in practice, we generate candidate protein inhibitors and use docking to assess their quality and also generate candidate membrane permeable molecules.
Authors: Giuseppe Bruno, Federico Pasqualotto, Andrea Agazzi
Abstract: We model the evolution of tokens within a deep stack of Transformer layers as a continuous-time flow on the unit sphere, governed by a mean-field interacting particle system, building on the framework introduced in (Geshkovski et al., 2023). Studying the corresponding mean-field Partial Differential Equation (PDE), which can be interpreted as a Wasserstein gradient flow, in this paper we provide a mathematical investigation of the long-term behavior of this system, with a particular focus on the emergence and persistence of meta-stable phases and clustering phenomena, key elements in applications like next-token prediction. More specifically, we perform a perturbative analysis of the mean-field PDE around the iid uniform initialization and prove that, in the limit of large number of tokens, the model remains close to a meta-stable manifold of solutions with a given structure (e.g., periodicity). Further, the structure characterizing the meta-stable manifold is explicitly identified, as a function of the inverse temperature parameter of the model, by the index maximizing a certain rescaling of Gegenbauer polynomials.
Authors: Kilian Pfeiffer, Mohamed Aboelenien Ahmed, Ramin Khalili, J\"org Henkel
Abstract: In recent years, Large Language Models (LLMs) through Transformer structures have dominated many machine learning tasks, especially text processing. However, these models require massive amounts of data for training and induce high resource requirements, particularly in terms of the large number of Floating Point Operations (FLOPs) and the high amounts of memory needed. To fine-tune such a model in a parameter-efficient way, techniques like Adapter or LoRA have been developed. However, we observe that the application of LoRA, when used in federated learning (FL), while still being parameter-efficient, is memory and FLOP inefficient. Based on that observation, we develop a novel layer finetuning scheme that allows devices in cross-device FL to make use of pretrained neural networks (NNs) while adhering to given resource constraints. We show that our presented scheme outperforms the current state of the art when dealing with homogeneous or heterogeneous computation and memory constraints and is on par with LoRA regarding limited communication, thereby achieving significantly higher accuracies in FL training.
Authors: Francesco Diana, Othmane Marfoq, Chuan Xu, Giovanni Neglia, Fr\'ed\'eric Giroire, Eoin Thomas
Abstract: Federated Learning (FL) enables multiple clients, such as mobile phones and IoT devices, to collaboratively train a global machine learning model while keeping their data localized. However, recent studies have revealed that the training phase of FL is vulnerable to reconstruction attacks, such as attribute inference attacks (AIA), where adversaries exploit exchanged messages and auxiliary public information to uncover sensitive attributes of targeted clients. While these attacks have been extensively studied in the context of classification tasks, their impact on regression tasks remains largely unexplored. In this paper, we address this gap by proposing novel model-based AIAs specifically designed for regression tasks in FL environments. Our approach considers scenarios where adversaries can either eavesdrop on exchanged messages or directly interfere with the training process. We benchmark our proposed attacks against state-of-the-art methods using real-world datasets. The results demonstrate a significant increase in reconstruction accuracy, particularly in heterogeneous client datasets, a common scenario in FL. The efficacy of our model-based AIAs makes them better candidates for empirically quantifying privacy leakage for federated regression tasks.
Authors: Zhipeng Wang, Rui Sun, Elizabeth Lui, Vatsal Shah, Xihan Xiong, Jiahao Sun, Davide Crapis, William Knottenbelt
Abstract: Centralization enhances the efficiency of Artificial Intelligence (AI), but it also brings critical challenges, such as single points of failure, inherent biases, data privacy concerns, and scalability issues, for AI systems. These problems are especially common in closed-source large language models (LLMs), where user data is collected and used with full transparency. To address these issues, blockchain-based decentralized AI (DeAI) has been introduced. DeAI leverages the strengths of blockchain technologies to enhance the transparency, security, decentralization, as well as trustworthiness of AI systems. Although DeAI has been widely developed in industry, a comprehensive understanding of state-of-the-art practical DeAI solutions is still lacking. In this work, we present a Systematization of Knowledge (SoK) for blockchain-based DeAI solutions. We propose a taxonomy to classify existing DeAI protocols based on the model lifecycle. Based on this taxonomy, we provide a structured way to clarify the landscape of DeAI protocols and identify their similarities and differences. Specifically, we analyze the functionalities of blockchain in DeAI, investigate how blockchain features contribute to enhancing the security, transparency, and trustworthiness of AI processes, and also ensure fair incentives for AI data and model contributors. In addition, we provide key insights and research gaps in developing DeAI protocols for future research.
Authors: Xudong Wang
Abstract: Federated learning has emerged as a key paradigm in privacy-preserving computing due to its "data usable but not visible" property, enabling users to collaboratively train models without sharing raw data. Motivated by this, federated recommendation systems offer a promising architecture that balances user privacy with recommendation accuracy through distributed collaborative learning. However, existing federated recommendation methods often neglect the underlying semantic or behavioral relationships between users during parameter aggregation, limiting their effectiveness. To address this, graph-based federated recommendation systems have been proposed to leverage neighborhood information. Yet, conventional graph construction methods usually require access to raw user data or explicit social links, which contradicts the strict privacy requirements of federated learning. In this work, we propose UFGraphFR (User Text-feature-based Graph Federated Recommendation), a personalized federated recommendation framework that constructs a user graph based on clients' locally embedded text features. Our core assumption is that users with similar textual descriptions exhibit similar preferences. UFGraphFR introduces two key components: a privacy-preserving user relationship graph built from the joint embedding layer's weight matrix without leaking raw user attributes, and a Transformer-based architecture to model temporal dependencies in user-item interaction sequences. Experimental results on benchmark datasets such as MovieLens and HetRec2011 demonstrate that UFGraphFR achieves competitive accuracy compared to centralized and state-of-the-art federated baselines while preserving user privacy. Code is available at https://github.com/trueWangSyutung/UFGraphFR
Authors: Runqing Wu, Fei Ye, Qihe Liu, Guoxi Huang, Jinyu Guo, Rongyao Hu
Abstract: Continual Learning seeks to develop a model capable of incrementally assimilating new information while retaining prior knowledge. However, current research predominantly addresses a straightforward learning context, wherein all data samples originate from a singular data domain. This paper shifts focus to a more complex and realistic learning environment, characterized by data samples sourced from multiple distinct domains. We tackle this intricate learning challenge by introducing a novel methodology, termed the Multi-Source Dynamic Expansion Model (MSDEM), which leverages various pre-trained models as backbones and progressively establishes new experts based on them to adapt to emerging tasks. Additionally, we propose an innovative dynamic expandable attention mechanism designed to selectively harness knowledge from multiple backbones, thereby accelerating the new task learning. Moreover, we introduce a dynamic graph weight router that strategically reuses all previously acquired parameters and representations for new task learning, maximizing the positive knowledge transfer effect, which further improves generalization performance. We conduct a comprehensive series of experiments, and the empirical findings indicate that our proposed approach achieves state-of-the-art performance.
Authors: Ilya Orson Sandoval, Isaac Symes Thompson, Vasilios Mavroudis, Chris Hicks
Abstract: As cyber threats grow increasingly sophisticated, reinforcement learning (RL) is emerging as a promising technique to create intelligent and adaptive cyber defense systems. However, most existing autonomous defensive agents have overlooked the inherent graph structure of computer networks subject to cyber attacks, potentially missing critical information and constraining their adaptability. To overcome these limitations, we developed a custom version of the Cyber Operations Research Gym (CybORG) environment, encoding network state as a directed graph with realistic low-level features. We employ a Graph Attention Network (GAT) architecture to process node, edge, and global features, and adapt its output to be compatible with policy gradient methods in RL. Our GAT-based approach offers key advantages over flattened alternatives: policies that demonstrate resilience to certain types of unexpected dynamic network topology changes, reasonable generalisation to networks of varying sizes within the same structural distribution, and interpretable defensive actions grounded in tangible network properties. We demonstrate that GAT defensive policies can be trained using our low-level directed graph observations, even when unexpected connections arise during simulation. Evaluations across networks of different sizes, but consistent subnetwork structure, show our policies achieve comparable performance to policies trained specifically for each network configuration. Our study contributes to the development of robust cyber defence systems that can better adapt to real-world network security challenges.
Authors: Hanyang Zhao, Haoxian Chen, Ji Zhang, David D. Yao, Wenpin Tang
Abstract: Reinforcement learning from human feedback (RLHF), which aligns a diffusion model with input prompt, has become a crucial step in building reliable generative AI models. Most works in this area use a discrete-time formulation, which is prone to induced errors, and often not applicable to models with higher-order/black-box solvers. The objective of this study is to develop a disciplined approach to fine-tune diffusion models using continuous-time RL, formulated as a stochastic control problem with a reward function that aligns the end result (terminal state) with input prompt. The key idea is to treat score matching as controls or actions, and thereby making connections to policy optimization and regularization in continuous-time RL. To carry out this idea, we lay out a new policy optimization framework for continuous-time RL, and illustrate its potential in enhancing the value networks design space via leveraging the structural property of diffusion models. We validate the advantages of our method by experiments in downstream tasks of fine-tuning large-scale Text2Image models of Stable Diffusion v1.5.
Authors: Keon Vin Park
Abstract: Physics-Informed Neural Networks (PINNs) have emerged as a promising approach for solving Partial Differential Equations (PDEs) by incorporating physical constraints into deep learning models. However, standard PINNs often require a large number of training samples to achieve high accuracy, leading to increased computational costs. To address this issue, we propose Active Learning-Driven PINNs (AL-PINN), which integrates Uncertainty Quantification (UQ) and Active Learning (AL) strategies to optimize sample selection dynamically. AL-PINN utilizes Monte Carlo Dropout to estimate epistemic uncertainty in the model predictions, enabling the adaptive selection of high-uncertainty regions for additional training. This approach significantly enhances learning efficiency by focusing computational resources on the most informative data points. We evaluate AL-PINN on benchmark PDE problems with known analytical solutions and real-world WeatherBench climate data. Our results demonstrate that AL-PINN achieves comparable or superior accuracy compared to traditional PINNs while reducing the number of required training samples. The proposed framework is particularly beneficial for scientific and engineering applications where data collection is expensive or limited, such as climate modeling, medical simulations, and material science. Our findings highlight the potential of active learning in accelerating PINN-based PDE solvers while maintaining high accuracy and computational efficiency.
Authors: Keon Vin Park
Abstract: Physics-Informed Neural Networks (PINNs) have emerged as a powerful framework for solving partial differential equations (PDEs) by embedding physical laws into neural network training. However, traditional PINN models are typically designed for single PDEs, limiting their generalizability across different physical systems. In this work, we explore the potential of a foundation PINN model capable of solving multiple PDEs within a unified architecture. We investigate the efficacy of a single PINN framework trained on four distinct PDEs-the Simple Harmonic Oscillator (SHO), the 1D Heat Equation, the 1D Wave Equation, and the 2D Laplace Equation, demonstrating its ability to learn diverse physical dynamics. To enhance sample efficiency, we incorporate Active Learning (AL) using Monte Carlo (MC) Dropout-based uncertainty estimation, selecting the most informative training samples iteratively. We evaluate different active learning strategies, comparing models trained on 10%, 20%, 30%, 40%, and 50% of the full dataset, and analyze their impact on solution accuracy. Our results indicate that targeted uncertainty sampling significantly improves performance with fewer training samples, leading to efficient learning across multiple PDEs. This work highlights the feasibility of a generalizable PINN-based foundation model, capable of adapting to different physics-based problems without redesigning network architectures. Our findings suggest that multi-PDE PINNs with active learning can serve as an effective approach for reducing computational costs while maintaining high accuracy in physics-based deep learning applications.
Authors: Gangwei Jiang, Caigao Jiang, Zhaoyi Li, Siqiao Xue, Jun Zhou, Linqi Song, Defu Lian, Ying Wei
Abstract: Catastrophic forgetting (CF) poses a significant challenge in machine learning, where a model forgets previously learned information upon learning new tasks. Despite the advanced capabilities of Large Language Models (LLMs), they continue to face challenges with CF during continual learning. The majority of existing research focuses on analyzing forgetting patterns through a singular training sequence, thereby overlooking the intricate effects that diverse tasks have on model behavior. Our study explores CF across various settings, discovering that model forgetting is influenced by both the specific training tasks and the models themselves. To this end, we interpret forgetting by examining the function vector (FV), a compact representation of functions in LLMs, offering a model-dependent indicator for the occurrence of CF. Through theoretical and empirical analyses, we demonstrated that CF in LLMs primarily stems from biases in function activation rather than the overwriting of task processing functions. Leveraging these insights, we propose a novel function vector guided training methodology, incorporating a regularization technique to stabilize the FV and mitigate forgetting. Empirical tests on four benchmarks confirm the effectiveness of our proposed training method, substantiating our theoretical framework concerning CF and model function dynamics. We plan to make our code publicly accessible in the near future.
Authors: Takashi Morita
Abstract: Human and animal memory for sequentially presented items is well-documented to be more accurate for those at the beginning and end of the sequence, phenomena known as the primacy and recency effects, respectively. By contrast, artificial neural network (ANN) models are typically designed with a memory that decays monotonically over time. Accordingly, ANNs are expected to show the recency effect but not the primacy effect. Contrary to this theoretical expectation, however, the present study reveals a counterintuitive finding: a recently developed ANN architecture, called structured state-space models, exhibits the primacy effect when trained and evaluated on a synthetic task that mirrors psychological memory experiments. Given that this model was originally designed for recovering neuronal activity patterns observed in biological brains, this result provides a novel perspective on the psychological primacy effect while also posing a non-trivial puzzle for the current theories in machine learning.
Authors: Haiteng Zhao, Chang Ma, Fangzhi Xu, Lingpeng Kong, Zhi-Hong Deng
Abstract: The applications of large language models (LLMs) in various biological domains have been explored recently, but their reasoning ability in complex biological systems, such as pathways, remains underexplored, which is crucial for predicting biological phenomena, formulating hypotheses, and designing experiments. This work explores the potential of LLMs in pathway reasoning. We introduce BioMaze, a dataset with 5.1K complex pathway problems derived from real research, covering various biological contexts including natural dynamic changes, disturbances, additional intervention conditions, and multi-scale research targets. Our evaluation of methods such as CoT and graph-augmented reasoning, shows that LLMs struggle with pathway reasoning, especially in perturbed systems. To address this, we propose PathSeeker, an LLM agent that enhances reasoning through interactive subgraph-based navigation, enabling a more effective approach to handling the complexities of biological systems in a scientifically aligned manner. The dataset and code are available at https://github.com/zhao-ht/BioMaze.
Authors: Denis Tarasov, Alexander Nikulin, Ilya Zisman, Albina Klepach, Andrei Polubarov, Nikita Lyubaykin, Alexander Derevyagin, Igor Kiselev, Vladislav Kurenkov
Abstract: In this work, we explore the integration of Reinforcement Learning (RL) approaches within a scalable offline In-Context RL (ICRL) framework. Through experiments across more than 150 datasets derived from GridWorld and MuJoCo environments, we demonstrate that optimizing RL objectives improves performance by approximately 40% on average compared to the widely established Algorithm Distillation (AD) baseline across various dataset coverages, structures, expertise levels, and environmental complexities. Our results also reveal that offline RL-based methods outperform online approaches, which are not specifically designed for offline scenarios. These findings underscore the importance of aligning the learning objectives with RL's reward-maximization goal and demonstrate that offline RL is a promising direction for application in ICRL settings.
Authors: Niloofar Ranjbar, Hamed Baghbani
Abstract: This paper presents a novel approach for multi-label emotion detection, where Llama-3 is used to generate explanatory content that clarifies ambiguous emotional expressions, thereby enhancing RoBERTa's emotion classification performance. By incorporating explanatory context, our method improves F1-scores, particularly for emotions like fear, joy, and sadness, and outperforms text-only models. The addition of explanatory content helps resolve ambiguity, addresses challenges like overlapping emotional cues, and enhances multi-label classification, marking a significant advancement in emotion detection tasks.
Authors: Anh Tong, Thanh Nguyen-Tang, Dongeun Lee, Duc Nguyen, Toan Tran, David Hall, Cheongwoong Kang, Jaesik Choi
Abstract: Recent advancements in large language models (LLMs) based on transformer architectures have sparked significant interest in understanding their inner workings. In this paper, we introduce a novel approach to modeling transformer architectures using highly flexible non-autonomous neural ordinary differential equations (ODEs). Our proposed model parameterizes all weights of attention and feed-forward blocks through neural networks, expressing these weights as functions of a continuous layer index. Through spectral analysis of the model's dynamics, we uncover an increase in eigenvalue magnitude that challenges the weight-sharing assumption prevalent in existing theoretical studies. We also leverage the Lyapunov exponent to examine token-level sensitivity, enhancing model interpretability. Our neural ODE transformer demonstrates performance comparable to or better than vanilla transformers across various configurations and datasets, while offering flexible fine-tuning capabilities that can adapt to different architectural constraints.
Authors: Ziruo Hao, Zhenhua Cui, Tao Yang, Bo Hu, Xiaofeng Wu, Hui Feng
Abstract: This paper provides an invariant federated learning system for resource-constrained edge intelligence. This framework can mitigate the impact of heterogeneity and asynchrony via exit strategy and invariant penalty. We introduce parameter orthogonality into edge intelligence to measure the contribution or impact of heterogeneous and asynchronous clients. It is proved in this paper that the exit of abnormal edge clients can guarantee the effect of the model on most clients. Meanwhile, to ensure the models' performance on exited abnormal clients and those who lack training resources, we propose Federated Learning with Invariant Penalty for Generalization (FedIPG) by constructing the approximate orthogonality of the invariant parameters and the heterogeneous parameters. Theoretical proof shows that FedIPG reduces the Out-Of-Distribution prediction loss without increasing the communication burden. The performance of FedIPG combined with an exit strategy is tested empirically in multiple scales using four datasets. It shows our system can enhance In-Distribution performance and outperform the state-of-the-art algorithm in Out-Of-Distribution generalization while maintaining model convergence. Additionally, the results of the visual experiment prove that FedIPG contains preliminary causality in terms of ignoring confounding features.
Authors: Andrew Kiruluta, Eric Lundy, Andreas Lemos
Abstract: We present FourierNAT, a novel non-autoregressive Transformer (NAT) architecture that employs Fourier-based mixing in the decoder to generate output sequences in parallel. While traditional NAT approaches often face challenges with capturing global dependencies, our method leverages a discrete Fourier transform to mix token embeddings across the entire sequence dimension, coupled with learned frequency-domain gating. This allows the model to efficiently propagate context without explicit autoregressive steps. Empirically, FourierNAT achieves competitive results against leading NAT baselines on standard benchmarks like WMT machine translation and CNN/DailyMail summarization, providing significant speed advantages over autoregressive Transformers. We further demonstrate that learned frequency-domain parameters allow the model to adaptively focus on long-range or short-range dependencies, partially mitigating the well-known coherence gaps in one-pass NAT generation. Overall, FourierNAT highlights the potential of integrating spectral-domain operations to accelerate and improve parallel text generation. This approach can potentially provide great computational and time savings in inference tasks LLMs.
Authors: Hanyang Zhao, Haoxian Chen, Yucheng Guo, Genta Indra Winata, Tingting Ou, Ziyu Huang, David D. Yao, Wenpin Tang
Abstract: We introduce Rich Preference Optimization (RPO), a novel pipeline that leverages rich feedback signals to improve the curation of preference pairs for fine-tuning text-to-image diffusion models. Traditional methods, like Diffusion-DPO, often rely solely on reward model labeling, which can be opaque, offer limited insights into the rationale behind preferences, and are prone to issues such as reward hacking or overfitting. In contrast, our approach begins with generating detailed critiques of synthesized images to extract reliable and actionable image editing instructions. By implementing these instructions, we create refined images, resulting in synthetic, informative preference pairs that serve as enhanced tuning datasets. We demonstrate the effectiveness of our pipeline and the resulting datasets in fine-tuning state-of-the-art diffusion models.
Authors: Kunyang Sun, Dorian Bagni, Joseph M. Cavanagh, Yingze Wang, Jacob M. Sawyer, Andrew Gritsevskiy, Teresa Head-Gordon
Abstract: Generative machine learning models for small molecule drug discovery have shown immense promise, but many molecules they generate are too difficult to synthesize, making them impractical for further investigation or development. In this work, we present a novel approach by fine-tuning Meta's Llama3 Large Language Models (LLMs) to create SynLlama, which generates full synthetic pathways made of commonly accessible building blocks and robust organic reaction templates. SynLlama explores a large synthesizable space using significantly less data compared to other state-of-the-art methods, and offers strong performance in bottom-up synthesis, synthesizable analog generation, and hit expansion, offering medicinal chemists a valuable tool for drug discovery developments. We find that SynLlama, even without training on external building blocks, can effectively generalize to unseen yet purchasable building blocks, meaning that its reconstruction capabilities extend to a broader synthesizable chemical space than the training data. We also demonstrate the use of SynLlama in a pharmaceutical context for synthesis planning of analog molecules and hit expansion leads for proposed inhibitors of target proteins.
Authors: Yechao Zhang, Yingzhe Xu, Junyu Shi, Leo Yu Zhang, Shengshan Hu, Minghui Li, Yanjun Zhang
Abstract: Deep neural networks (DNNs) are susceptible to universal adversarial perturbations (UAPs). These perturbations are meticulously designed to fool the target model universally across all sample classes. Unlike instance-specific adversarial examples (AEs), generating UAPs is more complex because they must be generalized across a wide range of data samples and models. Our research reveals that existing universal attack methods, which optimize UAPs using DNNs with static model parameter snapshots, do not fully leverage the potential of DNNs to generate more effective UAPs. Rather than optimizing UAPs against static DNN models with a fixed training set, we suggest using dynamic model-data pairs to generate UAPs. In particular, we introduce a dynamic maximin optimization strategy, aiming to optimize the UAP across a variety of optimal model-data pairs. We term this approach DM-UAP. DM-UAP utilizes an iterative max-min-min optimization framework that refines the model-data pairs, coupled with a curriculum UAP learning algorithm to examine the combined space of model parameters and data thoroughly. Comprehensive experiments on the ImageNet dataset demonstrate that the proposed DM-UAP markedly enhances both cross-sample universality and cross-model transferability of UAPs. Using only 500 samples for UAP generation, DM-UAP outperforms the state-of-the-art approach with an average increase in fooling ratio of 12.108%.
Authors: Tuan Le, Shana Moothedath
Abstract: In this paper, we propose BR-MTRL, a Byzantine-resilient multi-task representation learning framework that handles faulty or malicious agents. Our approach leverages representation learning through a shared neural network model, where all clients share fixed layers, except for a client-specific final layer. This structure captures shared features among clients while enabling individual adaptation, making it a promising approach for leveraging client data and computational power in heterogeneous federated settings to learn personalized models. To learn the model, we employ an alternating gradient descent strategy: each client optimizes its local model, updates its final layer, and sends estimates of the shared representation to a central server for aggregation. To defend against Byzantine agents, we employ two robust aggregation methods for client-server communication, Geometric Median and Krum. Our method enables personalized learning while maintaining resilience in distributed settings. We implemented the proposed algorithm in a federated testbed built using Amazon Web Services (AWS) platform and compared its performance with various benchmark algorithms and their variations. Through experiments using real-world datasets, including CIFAR-10 and FEMNIST, we demonstrated the effectiveness and robustness of our approach and its transferability to new unseen clients with limited data, even in the presence of Byzantine adversaries.
Authors: Tales Panoutsos, Rodrygo L. T. Santos, Flavio Figueiredo
Abstract: In this paper, we introduce Symmetric Low-Rank Adapters, an optimized variant of LoRA with even fewer weights. This method utilizes Low-Rank Symmetric Weight Matrices to learn downstream tasks more efficiently. Traditional LoRA accumulates fine-tuning weights with the original pre-trained weights via a Singular Value Decomposition (SVD) like approach, i.e., model weights are fine-tuned via updates of the form $BA$ (where $B \in \mathbb{R}^{n\times r}$, $A \in \mathbb{R}^{r\times n}$, and $r$ is the rank of the merged weight matrix). In contrast, our approach, named SymLoRA, represents fine-tuning weights as a Spectral Decomposition, i.e., $Q \, diag(\Lambda)\, Q^T$, where $Q \in \mathbb{R}^{n\times r}$ and $\Lambda \in \mathbb{R}^r$. SymLoRA requires approximately half of the finetuning weights. Here, we show that this approach has negligible losses in downstream efficacy.
Authors: Senwei Liang, Chunmei Wang, Xingjian Xu
Abstract: Modeling stochastic differential equations (SDEs) is crucial for understanding complex dynamical systems in various scientific fields. Recent methods often employ neural network-based models, which typically represent SDEs through a combination of deterministic and stochastic terms. However, these models usually lack interpretability and have difficulty generalizing beyond their training domain. This paper introduces the Finite Expression Method (FEX), a symbolic learning approach designed to derive interpretable mathematical representations of the deterministic component of SDEs. For the stochastic component, we integrate FEX with advanced generative modeling techniques to provide a comprehensive representation of SDEs. The numerical experiments on linear, nonlinear, and multidimensional SDEs demonstrate that FEX generalizes well beyond the training domain and delivers more accurate long-term predictions compared to neural network-based methods. The symbolic expressions identified by FEX not only improve prediction accuracy but also offer valuable scientific insights into the underlying dynamics of the systems, paving the way for new scientific discoveries.
Authors: MaryLena Bleile
Abstract: Incomplete data, confounding effects, and violations of the Markov property are interrelated problems which are ubiquitous in Reinforcement Learning applications. We introduce the concept of ``partial ignorabilty" and leverage it to establish a novel convergence theorem for adaptive Reinforcement Learning. This theoretical result relaxes the Markov assumption on the stochastic process underlying conventional $Q$-learning, deploying a generalized form of the Robbins-Monro stochastic approximation theorem to establish optimality. This result has clear downstream implications for most active subfields of Reinforcement Learning, with clear paths for extension to the field of Causal Inference.
Authors: Sahil Sethi, David Chen, Thomas Statchen, Michael C. Burkhart, Nipun Bhandari, Bashar Ramadan, Brett Beaulieu-Jones
Abstract: Deep learning-based electrocardiogram (ECG) classification has shown impressive performance but clinical adoption has been slowed by the lack of transparent and faithful explanations. Post hoc methods such as saliency maps may fail to reflect a model's true decision process. Prototype-based reasoning offers a more transparent alternative by grounding decisions in similarity to learned representations of real ECG segments, enabling faithful, case-based explanations. We introduce ProtoECGNet, a prototype-based deep learning model for interpretable, multi-label ECG classification. ProtoECGNet employs a structured, multi-branch architecture that reflects clinical interpretation workflows: it integrates a 1D CNN with global prototypes for rhythm classification, a 2D CNN with time-localized prototypes for morphology-based reasoning, and a 2D CNN with global prototypes for diffuse abnormalities. Each branch is trained with a prototype loss designed for multi-label learning, combining clustering, separation, diversity, and a novel contrastive loss that encourages appropriate separation between prototypes of unrelated classes while allowing clustering for frequently co-occurring diagnoses. We evaluate ProtoECGNet on all 71 diagnostic labels from the PTB-XL dataset, demonstrating competitive performance relative to state-of-the-art black-box models while providing structured, case-based explanations. To assess prototype quality, we conduct a structured clinician review of the final model's projected prototypes, finding that they are rated as representative and clear. ProtoECGNet shows that prototype learning can be effectively scaled to complex, multi-label time-series classification, offering a practical path toward transparent and trustworthy deep learning models for clinical decision support.
Authors: Yichao Cai, Yuhang Liu, Erdun Gao, Tianjiao Jiang, Zhen Zhang, Anton van den Hengel, Javen Qinfeng Shi
Abstract: Multimodal representation learning, exemplified by multimodal contrastive learning (MMCL) using image-text pairs, aims to learn powerful representations by aligning cues across modalities. This approach relies on the core assumption that the exemplar image-text pairs constitute two representations of an identical concept. However, recent research has revealed that real-world datasets often exhibit misalignment. There are two distinct viewpoints on how to address this issue: one suggests mitigating the misalignment, and the other leveraging it. We seek here to reconcile these seemingly opposing perspectives, and to provide a practical guide for practitioners. Using latent variable models we thus formalize misalignment by introducing two specific mechanisms: selection bias, where some semantic variables are missing, and perturbation bias, where semantic variables are distorted -- both affecting latent variables shared across modalities. Our theoretical analysis demonstrates that, under mild assumptions, the representations learned by MMCL capture exactly the information related to the subset of the semantic variables invariant to selection and perturbation biases. This provides a unified perspective for understanding misalignment. Based on this, we further offer actionable insights into how misalignment should inform the design of real-world ML systems. We validate our theoretical findings through extensive empirical studies on both synthetic data and real image-text datasets, shedding light on the nuanced impact of misalignment on multimodal representation learning.
Authors: Michal Danilowski, Soumyajit Chatterjee, Abhirup Ghosh
Abstract: The performance of deep learning models depends heavily on test samples at runtime, and shifts from the training data distribution can significantly reduce accuracy. Test-time adaptation (TTA) addresses this by adapting models during inference without requiring labeled test data or access to the original training set. While research has explored TTA from various perspectives like algorithmic complexity, data and class distribution shifts, model architectures, and offline versus continuous learning, constraints specific to mobile and edge devices remain underexplored. We propose BoTTA, a benchmark designed to evaluate TTA methods under practical constraints on mobile and edge devices. Our evaluation targets four key challenges caused by limited resources and usage conditions: (i) limited test samples, (ii) limited exposure to categories, (iii) diverse distribution shifts, and (iv) overlapping shifts within a sample. We assess state-of-the-art TTA methods under these scenarios using benchmark datasets and report system-level metrics on a real testbed. Furthermore, unlike prior work, we align with on-device requirements by advocating periodic adaptation instead of continuous inference-time adaptation. Experiments reveal key insights: many recent TTA algorithms struggle with small datasets, fail to generalize to unseen categories, and depend on the diversity and complexity of distribution shifts. BoTTA also reports device-specific resource use. For example, while SHOT improves accuracy by $2.25\times$ with $512$ adaptation samples, it uses $1.08\times$ peak memory on Raspberry Pi versus the base model. BoTTA offers actionable guidance for TTA in real-world, resource-constrained deployments.
Authors: Runqing Wu, Kaihui Huang, Hanyi Zhang, Fei Ye
Abstract: Continual Learning (CL) epitomizes an advanced training paradigm wherein prior data samples remain inaccessible during the acquisition of new tasks. Numerous investigations have delved into leveraging a pre-trained Vision Transformer (ViT) to enhance model efficacy in continual learning. Nonetheless, these approaches typically utilize a singular, static backbone, which inadequately adapts to novel tasks, particularly when engaging with diverse data domains, due to a substantial number of inactive parameters. This paper addresses this limitation by introducing an innovative Self-Controlled Dynamic Expansion Model (SCDEM), which orchestrates multiple distinct trainable pre-trained ViT backbones to furnish diverse and semantically enriched representations. Specifically, by employing the multi-backbone architecture as a shared module, the proposed SCDEM dynamically generates a new expert with minimal parameters to accommodate a new task. A novel Collaborative Optimization Mechanism (COM) is introduced to synergistically optimize multiple backbones by harnessing prediction signals from historical experts, thereby facilitating new task learning without erasing previously acquired knowledge. Additionally, a novel Feature Distribution Consistency (FDC) approach is proposed to align semantic similarity between previously and currently learned representations through an optimal transport distance-based mechanism, effectively mitigating negative knowledge transfer effects. Furthermore, to alleviate over-regularization challenges, this paper presents a novel Dynamic Layer-Wise Feature Attention Mechanism (DLWFAM) to autonomously determine the penalization intensity on each trainable representation layer. An extensive series of experiments have been conducted to evaluate the proposed methodology's efficacy, with empirical results corroborating that the approach attains state-of-the-art performance.
Authors: Zhou Fang, Gianmarco Mengaldo
Abstract: In machine learning forecasting, standard error metrics such as mean absolute error (MAE) and mean squared error (MSE) quantify discrepancies between predictions and target values. However, these metrics do not directly evaluate the physical and/or dynamical consistency of forecasts, an increasingly critical concern in scientific and engineering applications. Indeed, a fundamental yet often overlooked question is whether machine learning forecasts preserve the dynamical behavior of the underlying system. Addressing this issue is essential for assessing the fidelity of machine learning models and identifying potential failure modes, particularly in applications where maintaining correct dynamical behavior is crucial. In this work, we investigate the relationship between standard forecasting error metrics, such as MAE and MSE, and the dynamical properties of the underlying system. To achieve this goal, we use two recently developed dynamical indices: the instantaneous dimension ($d$), and the inverse persistence ($\theta$). Our results indicate that larger forecast errors -- e.g., higher MSE -- tend to occur in states with higher $d$ (higher complexity) and higher $\theta$ (lower persistence). To further assess dynamical consistency, we propose error metrics based on the dynamical indices that measure the discrepancy of the forecasted $d$ and $\theta$ versus their correct values. Leveraging these dynamical indices-based metrics, we analyze direct and recursive forecasting strategies for three canonical datasets -- Lorenz, Kuramoto-Sivashinsky equation, and Kolmogorov flow -- as well as a real-world weather forecasting task. Our findings reveal substantial distortions in dynamical properties in ML forecasts, especially for long forecast lead times or long recursive simulations, providing complementary information on ML forecast fidelity that can be used to improve ML models.
Authors: Shangyu Liu, Zhenzhe Zheng, Xiaoyao Huang, Fan Wu, Guihai Chen, Jie Wu
Abstract: Small language models (SLMs) support efficient deployments on resource-constrained edge devices, but their limited capacity compromises inference performance. Retrieval-augmented generation (RAG) is a promising solution to enhance model performance by integrating external databases, without requiring intensive on-device model retraining. However, large-scale public databases and user-specific private contextual documents are typically located on the cloud and the device separately, while existing RAG implementations are primarily centralized. To bridge this gap, we propose DRAGON, a distributed RAG framework to enhance on-device SLMs through both general and personal knowledge without the risk of leaking document privacy. Specifically, DRAGON decomposes multi-document RAG into multiple parallel token generation processes performed independently and locally on the cloud and the device, and employs a newly designed Speculative Aggregation, a dual-side speculative algorithm to avoid frequent output synchronization between the cloud and device. A new scheduling algorithm is further introduced to identify the optimal aggregation side based on real-time network conditions. Evaluations on real-world hardware testbed demonstrate a significant performance improvement of DRAGON-up to 1.9x greater gains over standalone SLM compared to the centralized RAG, substantial reduction in per-token latency, and negligible Time to First Token (TTFT) overhead.
Authors: Wei Wang, Maryam Hakimzadeh, Haihui Ruan, Somdatta Goswami
Abstract: Numerical solvers for partial differential equations (PDEs) face challenges balancing computational cost and accuracy, especially in multiscale and dynamic systems. Neural operators can significantly speed up simulations; however, they often face challenges such as error accumulation and limited generalization in multiphysics problems. This work introduces a novel hybrid framework that integrates physics-informed DeepONet with FEM through domain decomposition. The core innovation lies in adaptively coupling FEM and DeepONet subdomains via a Schwarz alternating method. This methodology strategically allocates computationally demanding regions to a pre-trained Deep Operator Network, while the remaining computational domain is solved through FEM. To address dynamic systems, we integrate the Newmark time-stepping scheme directly into the DeepONet, significantly mitigating error accumulation in long-term simulations. Furthermore, an adaptive subdomain evolution enables the ML-resolved region to expand dynamically, capturing emerging fine-scale features without remeshing. The framework's efficacy has been validated across a range of solid mechanics problems, including static, quasi-static, and dynamic regimes, demonstrating accelerated convergence rates (up to 20% improvement compared to FE-FE approaches), while preserving solution fidelity with error < 1%. Our case studies show that our proposed hybrid solver: (1) maintains solution continuity across subdomain interfaces, (2) reduces computational costs by eliminating fine mesh requirements, (3) mitigates error accumulation in time-dependent simulations, and (4) enables automatic adaptation to evolving physical phenomena. This work bridges the gap between numerical methods and AI-driven surrogates, offering a scalable pathway for high-fidelity simulations in engineering and scientific applications.
Authors: Cheng-Yen Hsieh, Xinyou Wang, Daiheng Zhang, Dongyu Xue, Fei Ye, Shujian Huang, Zaixiang Zheng, Quanquan Gu
Abstract: Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models.
Authors: Geoffrey Wolfer, Pierre Alquier
Abstract: An important feature of kernel mean embeddings (KME) is that the rate of convergence of the empirical KME to the true distribution KME can be bounded independently of the dimension of the space, properties of the distribution and smoothness features of the kernel. We show how to speed-up convergence by leveraging variance information in the reproducing kernel Hilbert space. Furthermore, we show that even when such information is a priori unknown, we can efficiently estimate it from the data, recovering the desiderata of a distribution agnostic bound that enjoys acceleration in fortuitous settings. We further extend our results from independent data to stationary mixing sequences and illustrate our methods in the context of hypothesis testing and robust parametric estimation.
Authors: Jiaheng Xie, Xiaohang Zhao, Xiang Liu, Xiao Fang
Abstract: Health sensing for chronic disease management creates immense benefits for social welfare. Existing health sensing studies primarily focus on the prediction of physical chronic diseases. Depression, a widespread complication of chronic diseases, is however understudied. We draw on the medical literature to support depression detection using motion sensor data. To connect humans in this decision-making, safeguard trust, and ensure algorithm transparency, we develop an interpretable deep learning model: Temporal Prototype Network (TempPNet). TempPNet is built upon the emergent prototype learning models. To accommodate the temporal characteristic of sensor data and the progressive property of depression, TempPNet differs from existing prototype learning models in its capability of capturing temporal progressions of prototypes. Extensive empirical analyses using real-world motion sensor data show that TempPNet outperforms state-of-the-art benchmarks in depression detection. Moreover, TempPNet interprets its decision by visualizing the temporal progression of depression and its corresponding symptoms detected from sensor data. We further employ a user study and a medical expert panel to demonstrate its superiority over the benchmarks in interpretability. This study offers an algorithmic solution for impactful social good -- collaborative care of chronic diseases and depression in health sensing. Methodologically, it contributes to extant literature with a novel interpretable deep learning model for depression detection from sensor data. Patients, doctors, and caregivers can deploy our model on mobile devices to monitor patients' depression risks in real-time. Our model's interpretability also allows human experts to participate in the decision-making by reviewing the interpretation and making informed interventions.
Authors: Francesco Santini, Jakob Wasserthal, Abramo Agosti, Xeni Deligianni, Kevin R. Keene, Hermien E. Kan, Stefan Sommer, Fengdan Wang, Claudia Weidensteiner, Giulia Manco, Matteo Paoletti, Valentina Mazzoli, Arjun Desai, Anna Pichiecchio
Abstract: Purpose: To present and evaluate Dafne (deep anatomical federated network), a freely available decentralized, collaborative deep learning system for the semantic segmentation of radiological images through federated incremental learning. Materials and Methods: Dafne is free software with a client-server architecture. The client side is an advanced user interface that applies the deep learning models stored on the server to the user's data and allows the user to check and refine the prediction. Incremental learning is then performed at the client's side and sent back to the server, where it is integrated into the root model. Dafne was evaluated locally, by assessing the performance gain across model generations on 38 MRI datasets of the lower legs, and through the analysis of real-world usage statistics (n = 639 use-cases). Results: Dafne demonstrated a statistically improvement in the accuracy of semantic segmentation over time (average increase of the Dice Similarity Coefficient by 0.007 points/generation on the local validation set, p < 0.001). Qualitatively, the models showed enhanced performance on various radiologic image types, including those not present in the initial training sets, indicating good model generalizability. Conclusion: Dafne showed improvement in segmentation quality over time, demonstrating potential for learning and generalization.
Authors: Mehrzad Saremi
Abstract: Finding the parameters of a latent variable causal model is central to causal inference and causal identification. In this article, we show that existing graphical structures that are used in causal inference are not stable under marginalization of Gaussian Bayesian networks, and present a graphical structure that faithfully represent margins of Gaussian Bayesian networks. We present the first duality between parameter optimization of a latent variable model and training a feed-forward neural network in the parameter space of the assumed family of distributions. Based on this observation, we develop an algorithm for parameter optimization of these graphical structures based on a given observational distribution. Then, we provide conditions for causal effect identifiability in the Gaussian setting. We propose an meta-algorithm that checks whether a causal effect is identifiable or not. Moreover, we lay a grounding for generalizing the duality between a neural network and a causal model from the Gaussian to other distributions.
Authors: Lei Yang
Abstract: We introduce a novel generative model, the Discrete Distribution Networks (DDN), that approximates data distribution using hierarchical discrete distributions. We posit that since the features within a network inherently capture distributional information, enabling the network to generate multiple samples simultaneously, rather than a single output, may offer an effective way to represent distributions. Therefore, DDN fits the target distribution, including continuous ones, by generating multiple discrete sample points. To capture finer details of the target data, DDN selects the output that is closest to the Ground Truth (GT) from the coarse results generated in the first layer. This selected output is then fed back into the network as a condition for the second layer, thereby generating new outputs more similar to the GT. As the number of DDN layers increases, the representational space of the outputs expands exponentially, and the generated samples become increasingly similar to the GT. This hierarchical output pattern of discrete distributions endows DDN with unique properties: more general zero-shot conditional generation and 1D latent representation. We demonstrate the efficacy of DDN and its intriguing properties through experiments on CIFAR-10 and FFHQ. The code is available at https://discrete-distribution-networks.github.io/
Authors: Amin Farajzadeh, Animesh Yadav, Halim Yanikomeroglu
Abstract: The deployment of federated learning (FL) in non-terrestrial networks (NTN) that are supported by high-altitude platform stations (HAPS) offers numerous advantages. Due to its large footprint, it facilitates interaction with a large number of line-of-sight (LoS) ground clients, each possessing diverse datasets along with distinct communication and computational capabilities. The presence of many clients enhances the accuracy of the FL model and speeds up convergence. However, the variety of datasets among these clients poses a significant challenge, as it leads to pervasive non-independent and identically distributed (non-IID) data. The data non-IIDness results in markedly reduced training accuracy and slower convergence rates. To address this issue, we propose a novel weighted attribute-based client selection strategy that leverages multiple user-specific attributes, including historical traffic patterns, instantaneous channel conditions, computational capabilities, and previous-round learning performance. By combining these attributes into a composite score for each user at every FL round and selecting users with higher scores as FL clients, the framework ensures more uniform and representative data distributions, effectively mitigating the adverse effects of non-IID data. Simulation results corroborate the effectiveness of the proposed client selection strategy in enhancing FL model accuracy and convergence rate, as well as reducing training loss, by effectively addressing the critical challenge of data non-IIDness in large-scale FL system implementations.
Authors: Elad Aigner-Horev, Daniel Rosenberg, Roi Weiss
Abstract: The resilience of a Rademacher chaos is the maximum number of adversarial sign-flips that the chaos can sustain without having its largest atom probability significantly altered. Inspired by probabilistic lower-bound guarantees for the resilience of linear Rademacher chaos, obtained by Bandeira, Ferber, and Kwan (Advances in Mathematics, Vol. $319$, $2017$), we provide probabilistic lower-bound guarantees for the resilience of Rademacher chaos of arbitrary yet sufficiently low degree. Our main results distinguish between Rademacher chaos of order two and those of higher order. In that, our first main result pertains to the resilience of decoupled bilinear Rademacher forms where different asymptotic behaviour is observed for sparse and dense matrices. For our second main result, we bootstrap our first result in order to provide resilience guarantees for quadratic Rademacher chaos. Our third main result, generalises the first and handles the resilience of decoupled Rademacher chaos of arbitrary yet sufficiently low order. Our results for decoupled Rademacher chaos of order two and that of higher order whilst are established through the same conceptual framework, differ substantially. A difference incurred due to the implementation of the same conceptual argument. The order two result is established using Dudley's maximal inequality for sub-Gaussian processes, the Hanson-Wright inequality, as well as the Kolmogorov-Rogozin inequality. To handle higher order chaos, appeals to Dudley's inequality as well as the Hanson-Wright inequality are replaced with tools suited for random tensors. Appeals to the Hanson-Wright inequality are replaced with appeals to a concentration result for random tensors put forth by Adamczak and Wolff. Our results are instance-dependent and thus allow for the efficient computation of resilience guarantees provided the order of the chaos is constant.
Authors: Brian Liu, Rahul Mazumder
Abstract: We study the often overlooked phenomenon, first noted in \cite{breiman2001random}, that random forests appear to reduce bias compared to bagging. Motivated by an interesting paper by \cite{mentch2020randomization}, where the authors explain the success of random forests in low signal-to-noise ratio (SNR) settings through regularization, we explore how random forests can capture patterns in the data that bagging ensembles fail to capture. We empirically demonstrate that in the presence of such patterns, random forests reduce bias along with variance and can increasingly outperform bagging ensembles when SNR is high. Our observations offer insights into the real-world success of random forests across a range of SNRs and enhance our understanding of the difference between random forests and bagging ensembles. Our investigations also yield practical insights into the importance of tuning $mtry$ in random forests.
Authors: Hye-jin Shim, Jee-weon Jung, Tomi Kinnunen, Nicholas Evans, Jean-Francois Bonastre, Itshak Lapidot
Abstract: Spoofing detection is today a mainstream research topic. Standard metrics can be applied to evaluate the performance of isolated spoofing detection solutions and others have been proposed to support their evaluation when they are combined with speaker detection. These either have well-known deficiencies or restrict the architectural approach to combine speaker and spoof detectors. In this paper, we propose an architecture-agnostic detection cost function (a-DCF). A generalisation of the original DCF used widely for the assessment of automatic speaker verification (ASV), the a-DCF is designed for the evaluation of spoofing-robust ASV. Like the DCF, the a-DCF reflects the cost of decisions in a Bayes risk sense, with explicitly defined class priors and detection cost model. We demonstrate the merit of the a-DCF through the benchmarking evaluation of architecturally-heterogeneous spoofing-robust ASV solutions.
Authors: George Nehma, Madhur Tiwari, Manasvi Lingam
Abstract: The study of the Two-Body and Circular Restricted Three-Body Problems in the field of aerospace engineering and sciences is deeply important because they help describe the motion of both celestial and artificial satellites. With the growing demand for satellites and satellite formation flying, fast and efficient control of these systems is becoming ever more important. Global linearization of these systems allows engineers to employ methods of control in order to achieve these desired results. We propose a data-driven framework for simultaneous system identification and global linearization of the Circular, Elliptical and Perturbed Two-Body Problem as well as the Circular Restricted Three-Body Problem around the L1 Lagrange point via deep learning-based Koopman Theory, i.e., a framework that can identify the underlying dynamics and globally linearize it into a linear time-invariant (LTI) system. The linear Koopman operator is discovered through purely data-driven training of a Deep Neural Network with a custom architecture. This paper displays the ability of the Koopman operator to generalize to various other Two-Body systems without the need for retraining. We also demonstrate the capability of the same architecture to be utilized to accurately learn a Koopman operator that approximates the Circular Restricted Three-Body Problem.
Authors: Roberto Henschel, Levon Khachatryan, Hayk Poghosyan, Daniil Hayrapetyan, Vahram Tadevosyan, Zhangyang Wang, Shant Navasardyan, Humphrey Shi
Abstract: Text-to-video diffusion models enable the generation of high-quality videos that follow text instructions, making it easy to create diverse and individual content. However, existing approaches mostly focus on high-quality short video generation (typically 16 or 24 frames), ending up with hard-cuts when naively extended to the case of long video synthesis. To overcome these limitations, we introduce StreamingT2V, an autoregressive approach for long video generation of 80, 240, 600, 1200 or more frames with smooth transitions. The key components are:(i) a short-term memory block called conditional attention module (CAM), which conditions the current generation on the features extracted from the previous chunk via an attentional mechanism, leading to consistent chunk transitions, (ii) a long-term memory block called appearance preservation module, which extracts high-level scene and object features from the first video chunk to prevent the model from forgetting the initial scene, and (iii) a randomized blending approach that enables to apply a video enhancer autoregressively for infinitely long videos without inconsistencies between chunks. Experiments show that StreamingT2V generates high motion amount. In contrast, all competing image-to-video methods are prone to video stagnation when applied naively in an autoregressive manner. Thus, we propose with StreamingT2V a high-quality seamless text-to-long video generator that outperforms competitors with consistency and motion. Our code will be available at: https://github.com/Picsart-AI-Research/StreamingT2V
Authors: Simon Schrodi, David T. Hoffmann, Max Argus, Volker Fischer, Thomas Brox
Abstract: Contrastive vision-language models (VLMs), like CLIP, have gained popularity for their versatile applicability to various downstream tasks. Despite their successes in some tasks, like zero-shot object recognition, they perform surprisingly poor on other tasks, like attribute recognition. Previous work has attributed these challenges to the modality gap, a separation of image and text in the shared representation space, and to a bias towards objects over other factors, such as attributes. In this analysis paper, we investigate both phenomena thoroughly. We evaluated off-the-shelf VLMs and while the gap's influence on performance is typically overshadowed by other factors, we find indications that closing the gap indeed leads to improvements. Moreover, we find that, contrary to intuition, only few embedding dimensions drive the gap and that the embedding spaces are differently organized. To allow for a clean study of object bias, we introduce a definition and a corresponding measure of it. Equipped with this tool, we find that object bias does not lead to worse performance on other concepts, such as attributes per se. However, why do both phenomena, modality gap and object bias, emerge in the first place? To answer this fundamental question and uncover some of the inner workings of contrastive VLMs, we conducted experiments that allowed us to control the amount of shared information between the modalities. These experiments revealed that the driving factor behind both the modality gap and the object bias, is an information imbalance between images and captions, and unveiled an intriguing connection between the modality gap and entropy of the logits.
Authors: Rachid Karami, Sheng-Chun Kao, Hyoukjun Kwon
Abstract: Among ML operators today, GEneralMatrix Multiplication (GEMM)-based operators are known to be key operators that build the main backbone of ML models. As their computational overhead dominates the overall execution time (e.g., 42.8% - 96.6% in our results), GEMM operators have been the prime optimization targets for fast ML inference. This led to advanced GPUs and accelerators available today, which provided significant boost in the GEMM performance compared to CPUs, aligned with the lesson from Amdahl's law. However, accelerating GEMM has significantly shifted the Amdahl's law's landscape for ML inference; due to the decreased GEMM execution time, the relative execution time of non-GEMM operators is now significant. Although the importance of non-GEMM performance is increasing, we have little knowledge about the non-GEMM performance horizon in the latest hardware platforms and models. Therefore, to guide non-GEMM-oriented optimizations, we conduct a thorough performance analysis of 17 widely adopted ML models in Hugging Face and Torchvision on workstation and data center platforms with/without GPUs. We discover that non-GEMM performance bottleneck is a considerable issue across all the platforms and models, accounting for 11.3% to 73.6% of total latency, on average. The challenge significantly aggravates when we apply quantization, which is a common model compression technique, due to the boosted GEMM performance and extra non-GEMM operators for dequantization and requantization. To provide insights into non-GEMM optimization targets, we demystify the most dominant non-GEMM operators for each model and deployment software. We also show that widely adopted optimizations such as operator fusion do not completely address the non-GEMM performance bottleneck, where non-GEMM operators still account for 15% to 48% of total latency.
Authors: Julian G\"oltz, Jimmy Weber, Laura Kriener, Sebastian Billaudelle, Peter Lake, Johannes Schemmel, Melika Payvand, Mihai A. Petrovici
Abstract: Spiking neural networks (SNNs) inherently rely on the timing of signals for representing and processing information. Incorporating trainable transmission delays, alongside synaptic weights, is crucial for shaping these temporal dynamics. While recent methods have shown the benefits of training delays and weights in terms of accuracy and memory efficiency, they rely on discrete time, approximate gradients, and full access to internal variables like membrane potentials. This limits their precision, efficiency, and suitability for neuromorphic hardware due to increased memory requirements and I/O bandwidth demands. To address these challenges, we propose DelGrad, an analytical, event-based method to compute exact loss gradients for both synaptic weights and delays. The inclusion of delays in the training process emerges naturally within our proposed formalism, enriching the model's search space with a temporal dimension. Moreover, DelGrad, grounded purely in spike timing, eliminates the need to track additional variables such as membrane potentials. To showcase this key advantage, we demonstrate the functionality and benefits of DelGrad on the BrainScaleS-2 neuromorphic platform, by training SNNs in a chip-in-the-loop fashion. For the first time, we experimentally demonstrate the memory efficiency and accuracy benefits of adding delays to SNNs on noisy mixed-signal hardware. Additionally, these experiments also reveal the potential of delays for stabilizing networks against noise. DelGrad opens a new way for training SNNs with delays on neuromorphic hardware, which results in fewer required parameters, higher accuracy and ease of hardware training.
Authors: Ying Ma, Owen Burns, Mingqiu Wang, Gang Li, Nan Du, Laurent El Shafey, Liqiang Wang, Izhak Shafran, Hagen Soltau
Abstract: Reinforcement learning (RL) is an effective method of finding reasoning pathways in incomplete knowledge graphs (KGs). To overcome the challenges of a large action space, a self-supervised pre-training method is proposed to warm up the policy network before the RL training stage. To alleviate the distributional mismatch issue in general self-supervised RL (SSRL), in our supervised learning (SL) stage, the agent selects actions based on the policy network and learns from generated labels; this self-generation of labels is the intuition behind the name self-supervised. With this training framework, the information density of our SL objective is increased and the agent is prevented from getting stuck with the early rewarded paths. Our self-supervised RL (SSRL) method improves the performance of RL by pairing it with the wide coverage achieved by SL during pretraining, since the breadth of the SL objective makes it infeasible to train an agent with that alone. We show that our SSRL model meets or exceeds current state-of-the-art results on all Hits@k and mean reciprocal rank (MRR) metrics on four large benchmark KG datasets. This SSRL method can be used as a plug-in for any RL architecture for a KGR task. We adopt two RL architectures, i.e., MINERVA and MultiHopKG as our baseline RL models and experimentally show that our SSRL model consistently outperforms both baselines on all of these four KG reasoning tasks. Full code for the paper available at https://github.com/owenonline/Knowledge-Graph-Reasoning-with-Self-supervised-Reinforcement-Learning.
URLs: https://github.com/owenonline/Knowledge-Graph-Reasoning-with-Self-supervised-Reinforcement-Learning.
Authors: Ivan Gvozdanovi\'c, Sonja Petrovi\'c
Abstract: We consider the problem of constructing exact goodness-of-fit tests for discrete exponential family models. This classical problem remains practically unsolved for many types of structured or sparse data, as it rests on a computationally difficult core task: to produce a reliable sample from lattice points in a high-dimensional polytope. We translate the problem into a Markov decision process and demonstrate a reinforcement learning approach for learning `good moves' for sampling. We illustrate the approach on data sets and models for which traditional MCMC samplers converge too slowly due to problem size, sparsity structure, and the requirement to use prohibitive non-linear algebra computations in the process. The differentiating factor is the use of scalable tools from \emph{linear} algebra in the context of theoretical guarantees provided by \emph{non-linear} algebra. Our algorithm is based on an actor-critic sampling scheme, with provable convergence. The discovered moves can be used to efficiently obtain an exchangeable sample, significantly cutting computational times with regards to statistical testing.
Authors: Sinjini Banerjee, Tim Marrinan, Reilly Cannon, Tony Chiang, Anand D. Sarwate
Abstract: Deep neural network training often involves stochastic optimization, meaning each run will produce a different model. This implies that hyperparameters of the training process, such as the random seed itself, can potentially have significant influence on the variability in the trained models. Measuring model quality by summary statistics, such as test accuracy, can obscure this dependence. We propose a robust hypothesis testing framework and a novel summary statistic, the $\alpha$-trimming level, to measure model similarity. Applying hypothesis testing directly with the $\alpha$-trimming level is challenging because we cannot accurately describe the distribution under the null hypothesis. Our framework addresses this issue by determining how closely an approximate distribution resembles the expected distribution of a group of individually trained models and using this approximation as our reference. We then use the $\alpha$-trimming level to suggest how many training runs should be sampled to ensure that an ensemble is a reliable representative of the true model performance. We also show how to use the $\alpha$-trimming level to measure model variability and demonstrate experimentally that it is more expressive than performance metrics like validation accuracy, churn, or expected calibration error when taken alone. An application of fine-tuning over random seed in transfer learning illustrates the advantage of our new metric.
Authors: Ye Jiang, Yimin Wang
Abstract: Large visual-language models (LVLMs) exhibit exceptional performance in visual-language reasoning across diverse cross-modal benchmarks. Despite these advances, recent research indicates that Large Language Models (LLMs), like GPT-3.5-turbo, underachieve compared to well-trained smaller models, such as BERT, in Fake News Detection (FND), prompting inquiries into LVLMs' efficacy in FND tasks. Although performance could improve through fine-tuning LVLMs, the substantial parameters and requisite pre-trained weights render it a resource-heavy endeavor for FND applications. This paper initially assesses the FND capabilities of two notable LVLMs, CogVLM and GPT4V, in comparison to a smaller yet adeptly trained CLIP model in a zero-shot context. The findings demonstrate that LVLMs can attain performance competitive with that of the smaller model. Next, we integrate standard in-context learning (ICL) with LVLMs, noting improvements in FND performance, though limited in scope and consistency. To address this, we introduce the \textbf{I}n-context \textbf{M}ultimodal \textbf{F}ake \textbf{N}ews \textbf{D}etection (IMFND) framework, enriching in-context examples and test inputs with predictions and corresponding probabilities from a well-trained smaller model. This strategic integration directs the LVLMs' focus towards news segments associated with higher probabilities, thereby improving their analytical accuracy. The experimental results suggest that the IMFND framework significantly boosts the FND efficiency of LVLMs, achieving enhanced accuracy over the standard ICL approach across three publicly available FND datasets.
Authors: Kensen Shi, Deniz Alt{\i}nb\"uken, Saswat Anand, Mihai Christodorescu, Katja Gr\"unwedel, Alexa Koenings, Sai Naidu, Anurag Pathak, Marc Rasi, Fredde Ribeiro, Brandon Ruffin, Siddhant Sanyam, Maxim Tabachnyk, Sara Toth, Roy Tu, Tobias Welp, Pengcheng Yin, Manzil Zaheer, Satish Chandra, Charles Sutton
Abstract: We propose using natural language outlines as a novel modality and interaction surface for providing AI assistance to developers throughout the software development process. An NL outline for a code function comprises multiple statements written in concise prose, which partition the code and summarize its main ideas in the style of literate programming. Crucially, we find that modern LLMs can generate accurate and high-quality NL outlines in practice. Moreover, NL outlines enable a bidirectional sync between code and NL: a developer can change one and the LLM automatically updates the other. We discuss many use cases for NL outlines: they can accelerate understanding and navigation of code and diffs, simplify code maintenance, augment code search, steer code generation, and more. We then propose and compare multiple LLM prompting techniques for generating outlines and ask professional developers to judge outline quality. Finally, we present two case studies applying NL outlines toward code review and malware detection.
Authors: Maryam Ostadsharif Memar, Navid Ziaei, Behzad Nazari, Ali Yousefi
Abstract: Intracranial electroencephalography (iEEG) is increasingly used for clinical and brain-computer interface applications due to its high spatial and temporal resolution. However, inter-subject variability in electrode implantation poses a challenge for developing generalized neural decoders. To address this, we introduce a novel decoder model that is robust to inter-subject electrode implantation variability. We call this model RISE-iEEG, which stands for Robust to Inter-Subject Electrode Implantation Variability iEEG Classifier. RISE-iEEG employs a deep neural network structure preceded by a participant-specific projection network. The projection network maps the neural data of individual participants onto a common low-dimensional space, compensating for the implantation variability. In other words, we developed an iEEG decoder model that can be applied across multiple participants' data without requiring the coordinates of electrode for each participant. The performance of RISE-iEEG across multiple datasets, including the Music Reconstruction dataset, and AJILE12 dataset, surpasses that of advanced iEEG decoder models such as HTNet and EEGNet. Our analysis shows that the performance of RISE-iEEG is about 7\% higher than that of HTNet and EEGNet in terms of F1 score, with an average F1 score of 0.83, which is the highest result among the evaluation methods defined. Furthermore, Our analysis of the projection network weights reveals that the Superior Temporal and Postcentral lobes are key encoding nodes for the Music Reconstruction and AJILE12 datasets, which aligns with the primary physiological principles governing these regions. This model improves decoding accuracy while maintaining interpretability and generalization.
Authors: Antonis Papasavva, Shane Johnson, Ed Lowther, Samantha Lundrigan, Enrico Mariconti, Anna Markovska, Nilufer Tuptuk
Abstract: Fraud is a prevalent offence that extends beyond financial loss, causing psychological and physical harm to victims. The advancements in online communication technologies alowed for online fraud to thrive in this vast network, with fraudsters increasingly using these channels for deception. With the progression of technologies like AI, there is a growing concern that fraud will scale up, using sophisticated methods, like deep-fakes in phishing campaigns, all generated by language generation models like ChatGPT. However, the application of AI in detecting and analyzing online fraud remains understudied. We conduct a Systematic Literature Review on AI and NLP techniques for online fraud detection. The review adhered the PRISMA-ScR protocol, with eligibility criteria including relevance to online fraud, use of text data, and AI methodologies. We screened 2,457 academic records, 350 met our eligibility criteria, and included 223. We report the state-of-the-art NLP techniques for analysing various online fraud categories; the training data sources; the NLP algorithms and models built; and the performance metrics employed for model evaluation. We find that current research on online fraud is divided into various scam activitiesand identify 16 different frauds that researchers focus on. This SLR enhances the academic understanding of AI-based detection methods for online fraud and offers insights for policymakers, law enforcement, and businesses on safeguarding against such activities. We conclude that focusing on specific scams lacks generalization, as multiple models are required for different fraud types. The evolving nature of scams limits the effectiveness of models trained on outdated data. We also identify issues in data limitations, training bias reporting, and selective presentation of metrics in model performance reporting, which can lead to potential biases in model evaluation.
Authors: Hang Liu, Anna Scaglione
Abstract: Shuffled linear regression (SLR) seeks to estimate latent features through a linear transformation, complicated by unknown permutations in the measurement dimensions. This problem extends traditional least-squares (LS) and Least Absolute Shrinkage and Selection Operator (LASSO) approaches by jointly estimating the permutation, resulting in shuffled LS and shuffled LASSO formulations. Existing methods, constrained by the combinatorial complexity of permutation recovery, often address small-scale cases with limited measurements. In contrast, we focus on large-scale SLR, particularly suited for environments with abundant measurement samples. We propose a spectral matching method that efficiently resolves permutations by aligning spectral components of the measurement and feature covariances. Rigorous theoretical analyses demonstrate that our method achieves accurate estimates in both shuffled LS and shuffled LASSO settings, given a sufficient number of samples. Furthermore, we extend our approach to address simultaneous pose and correspondence estimation in image registration tasks. Experiments on synthetic datasets and real-world image registration scenarios show that our method outperforms existing algorithms in both estimation accuracy and registration performance.
Authors: Ben Shaw, Jake Rhodes, Soukaina Filali Boubrahimi, Kevin R. Moon
Abstract: RF-GAP has recently been introduced as an improved random forest proximity measure. In this paper, we present PF-GAP, an extension of RF-GAP proximities to proximity forests, an accurate and efficient time series classification model. We use the forest proximities in connection with Multi-Dimensional Scaling to obtain vector embeddings of univariate time series, comparing the embeddings to those obtained using various time series distance measures. We also use the forest proximities alongside Local Outlier Factors to investigate the connection between misclassified points and outliers, comparing with nearest neighbor classifiers which use time series distance measures. We show that the forest proximities seem to exhibit a stronger connection between misclassified points and outliers than nearest neighbor classifiers.
Authors: Nuria Rodr\'iguez-Barroso, M. Victoria Luz\'on, Francisco Herrera
Abstract: At the same time that artificial intelligence is becoming popular, concern and the need for regulation is growing, including among other requirements the data privacy. In this context, Federated Learning is proposed as a solution to data privacy concerns derived from different source data scenarios due to its distributed learning. The defense mechanisms proposed in literature are just focused on defending against adversarial attacks and the performance, leaving aside other important qualities such as explainability, fairness to poor quality clients, dynamism in terms of attacks configuration and generality in terms of being resilient against different kinds of attacks. In this work, we propose RAB$^2$-DEF, a $\textbf{r}$esilient $\textbf{a}$gainst $\textbf{b}\text{yzantine}$ and $\textbf{b}$ackdoor attacks which is $\textbf{d}$ynamic, $\textbf{e}$xplainable and $\textbf{f}$air to poor clients using local linear explanations. We test the performance of RAB$^2$-DEF in image datasets and both byzantine and backdoor attacks considering the state-of-the-art defenses and achieve that RAB$^2$-DEF is a proper defense at the same time that it boosts the other qualities towards trustworthy artificial intelligence.
Authors: Tianqi Shang, Shu Yang, Weiqing He, Tianhua Zhai, Dawei Li, Bojian Hou, Tianlong Chen, Jason H. Moore, Marylyn D. Ritchie, Li Shen
Abstract: Growing evidence suggests that social determinants of health (SDoH), a set of nonmedical factors, affect individuals' risks of developing Alzheimer's disease (AD) and related dementias. Nevertheless, the etiological mechanisms underlying such relationships remain largely unclear, mainly due to difficulties in collecting relevant information. This study presents a novel, automated framework that leverages recent advancements of large language model (LLM) and natural language processing techniques to mine SDoH knowledge from extensive literature and integrate it with AD-related biological entities extracted from the general-purpose knowledge graph PrimeKG. Utilizing graph neural networks, we performed link prediction tasks to evaluate the resultant SDoH-augmented knowledge graph. Our framework shows promise for enhancing knowledge discovery in AD and can be generalized to other SDoH-related research areas, offering a new tool for exploring the impact of social determinants on health outcomes. Our code is available at: https://github.com/hwq0726/SDoHenPKG
Authors: Andrea Bulgarelli, Elia Cellini, Karl Jansen, Stefan K\"uhn, Alessandro Nada, Shinichi Nakajima, Kim A. Nicoli, Marco Panero
Abstract: We introduce a novel technique to numerically calculate R\'enyi entanglement entropies in lattice quantum field theory using generative models. We describe how flow-based approaches can be combined with the replica trick using a custom neural-network architecture around a lattice defect connecting two replicas. Numerical tests for the $\phi^4$ scalar field theory in two and three dimensions demonstrate that our technique outperforms state-of-the-art Monte Carlo calculations, and exhibit a promising scaling with the defect size.
Authors: Neel P. Bhatt, Yunhao Yang, Rohan Siva, Daniel Milan, Ufuk Topcu, Zhangyang Wang
Abstract: Multimodal foundation models offer a promising framework for robotic perception and planning by processing sensory inputs to generate actionable plans. However, addressing uncertainty in both perception (sensory interpretation) and decision-making (plan generation) remains a critical challenge for ensuring task reliability. We present a comprehensive framework to disentangle, quantify, and mitigate these two forms of uncertainty. We first introduce a framework for uncertainty disentanglement, isolating perception uncertainty arising from limitations in visual understanding and decision uncertainty relating to the robustness of generated plans. To quantify each type of uncertainty, we propose methods tailored to the unique properties of perception and decision-making: we use conformal prediction to calibrate perception uncertainty and introduce Formal-Methods-Driven Prediction (FMDP) to quantify decision uncertainty, leveraging formal verification techniques for theoretical guarantees. Building on this quantification, we implement two targeted intervention mechanisms: an active sensing process that dynamically re-observes high-uncertainty scenes to enhance visual input quality and an automated refinement procedure that fine-tunes the model on high-certainty data, improving its capability to meet task specifications. Empirical validation in real-world and simulated robotic tasks demonstrates that our uncertainty disentanglement framework reduces variability by up to 40% and enhances task success rates by 5% compared to baselines. These improvements are attributed to the combined effect of both interventions and highlight the importance of uncertainty disentanglement, which facilitates targeted interventions that enhance the robustness and reliability of autonomous systems. Fine-tuned models, code, and datasets are available at https://uncertainty-in-planning.github.io/.
Authors: Moran Yanuka, Assaf Ben Kish, Yonatan Bitton, Idan Szpektor, Raja Giryes
Abstract: Recent research increasingly focuses on training vision-language models (VLMs) with long, detailed image captions. However, small-scale VLMs often struggle to balance the richness of these captions with the risk of hallucinating content during fine-tuning. In this paper, we explore how well VLMs adapt to such captions. To quantify caption quality, we propose Decomposed NLI (DNLI), an evaluation framework that breaks down generated captions into individual propositions, assessing each in isolation. This fine-grained analysis reveals a critical balance between capturing descriptive details and preventing hallucinations. Our findings show that simply reducing caption complexity or employing standard data curation techniques does not effectively resolve this issue. To tackle this challenge, we introduce Knowledge Adapted (KnowAda) fine-tuning, a data-centric approach that automatically adapts training data with the model's existing knowledge and visual understanding. KnowAda minimizes hallucinations while preserving high descriptiveness. We validate this approach across several small-scale VLMs (up to 7B parameters) and dense caption datasets, demonstrating that KnowAda effectively balances hallucination reduction and descriptiveness. Our results show that KnowAda outperforms various baselines in both automatic metrics and human evaluations. We will release our code and models.
Authors: Vivek Sabarad, Vishal Varma, T. S. Mahesh
Abstract: Kernel methods map data into high-dimensional spaces, enabling linear algorithms to learn nonlinear functions without explicitly storing the feature vectors. Quantum kernel methods promise efficient learning by encoding feature maps into exponentially large Hilbert spaces inherent in quantum systems. In this work, we implement quantum kernels on a 10-qubit star-topology register in a nuclear magnetic resonance (NMR) platform. We experimentally encode classical data in the evolution of multiple quantum coherence orders using data-dependent unitary transformations and then demonstrate one-dimensional regression and two-dimensional classification tasks. By extending the register to a double-layered star configuration, we propose an extended quantum kernel to handle non-parametrized operator inputs. Specifically, we set up a kernel for the classification of entangling and non-entangling operations and then validate this kernel first numerically by computing it on a double-layered star register and then experimentally by computing it on a three-qubit NMR register. Our results show that this kernel exhibits an ability to generalize well over unseen data. These results confirm that quantum kernels possess strong capabilities in classical as well as quantum machine learning tasks.
Authors: Trishita Tiwari, G. Edward Suh
Abstract: This work quantifies the risk of training data leakage from LLMs (Large Language Models) using sequence-level probabilities. Computing extraction probabilities for individual sequences provides finer-grained information than has been studied in prior benchmarking work. We re-analyze the effects of decoding schemes, model sizes, prefix lengths, partial sequence leakages, and token positions to uncover new insights that were not possible in previous works due to their choice of metrics. We perform this study on two pre-trained models, Llama and OPT, trained on the Common Crawl and The Pile respectively. We discover that 1) Extraction Rate, the predominant metric used in prior quantification work, underestimates the threat of leakage of training data in randomized LLMs by as much as 2.14X. 2) Although on average, larger models and longer prefixes can extract more data, this is not true for a substantial portion of individual sequences. 30.4-41.5% of our sequences are easier to extract with either shorter prefixes or smaller models. 3) Contrary to previous beliefs, partial leakage in commonly used decoding schemes like top-k and top-p is not easier than leaking verbatim training data. The aim of this work is to encourage the adoption of this metric for future work on quantification of training data extraction.
Authors: Kees Koenders, Leo Schnitzpan, Fabian Kammerbauer, Sinan Shu, Gerhard Jakob, Mathis Kl\"aui, Johan Mentink, Nasir Ahmad, Marcel van Gerven
Abstract: Brain-inspired learning in physical hardware has enormous potential to learn fast at minimal energy expenditure. One of the characteristics of biological learning systems is their ability to learn in the presence of various noise sources. Inspired by this observation, we introduce a novel noise-based learning approach for physical systems implementing multi-layer neural networks. Simulation results show that our approach allows for effective learning whose performance approaches that of the conventional effective yet energy-costly backpropagation algorithm. Using a spintronics hardware implementation, we demonstrate experimentally that learning can be achieved in a small network composed of physical stochastic magnetic tunnel junctions. These results provide a path towards efficient learning in general physical systems which embraces rather than mitigates the noise inherent in physical devices.
Authors: Jingyao Wang, Wenwen Qiang, Changwen Zheng, Fuchun Sun
Abstract: Fine-grained emotion recognition (FER) plays a vital role in various fields, such as disease diagnosis, personalized recommendations, and multimedia mining. However, existing FER methods face three key challenges in real-world applications: (i) they rely on large amounts of continuously annotated data to ensure accuracy since emotions are complex and ambiguous in reality, which is costly and time-consuming; (ii) they cannot capture the temporal heterogeneity caused by changing emotion patterns, because they usually assume that the temporal correlation within sampling periods is the same; (iii) they do not consider the spatial heterogeneity of different FER scenarios, that is, the distribution of emotion information in different data may have bias or interference. To address these challenges, we propose a Spatio-Temporal Fuzzy-oriented Multi-modal Meta-learning framework (ST-F2M). Specifically, ST-F2M first divides the multi-modal videos into multiple views, and each view corresponds to one modality of one emotion. Multiple randomly selected views for the same emotion form a meta-training task. Next, ST-F2M uses an integrated module with spatial and temporal convolutions to encode the data of each task, reflecting the spatial and temporal heterogeneity. Then it adds fuzzy semantic information to each task based on generalized fuzzy rules, which helps handle the complexity and ambiguity of emotions. Finally, ST-F2M learns emotion-related general meta-knowledge through meta-recurrent neural networks to achieve fast and robust fine-grained emotion recognition. Extensive experiments show that ST-F2M outperforms various state-of-the-art methods in terms of accuracy and model efficiency. In addition, we construct ablation studies and further analysis to explore why ST-F2M performs well.
Authors: Steffen Eger, Yong Cao, Jennifer D'Souza, Andreas Geiger, Christian Greisinger, Stephanie Gross, Yufang Hou, Brigitte Krenn, Anne Lauscher, Yizhi Li, Chenghua Lin, Nafise Sadat Moosavi, Wei Zhao, Tristan Miller
Abstract: With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".
Authors: Ziyang Guo, Yifan Wu, Jason Hartline, Jessica Hullman
Abstract: Multiple agents -- including humans and AI models -- are often paired on decision tasks with the expectation of achieving complementary performance, where the combined performance of both agents outperforms either one alone. However, knowing how to improve the performance of a human-AI team is often difficult without knowing more about what particular information and strategies each agent employs. We provide a decision-theoretic framework for characterizing the value of information -- and consequently, opportunities for agents to better exploit available information -- in AI-assisted decision workflows. We demonstrate the use of the framework for model selection, empirical evaluation of human-AI performance, and explanation design. We propose a novel information-based explanation technique that adapts SHAP, a saliency-based explanation, to explain information value in decision making.
Authors: Peng Huang, Shu Hu, Bo Peng, Xun Gong, Penghang Yin, Hongtu Zhu, Xi Wu, Xin Wang
Abstract: MedSAM, a medical foundation model derived from the SAM architecture, has demonstrated notable success across diverse medical domains. However, its clinical application faces two major challenges: the dependency on labor-intensive manual prompt generation, which imposes a significant burden on clinicians, and the absence of semantic labeling in the generated segmentation masks for organs or lesions, limiting its practicality for non-expert users. To address these limitations, we propose AutoMedSAM, an end-to-end framework derived from SAM, designed to enhance usability and segmentation performance. AutoMedSAM retains MedSAM's image encoder and mask decoder structure while introducing a novel diffusion-based class prompt encoder. The diffusion-based encoder employs a dual-decoder structure to collaboratively generate prompt embeddings guided by sparse and dense prompt definitions. These embeddings enhance the model's ability to understand and process clinical imagery autonomously. With this encoder, AutoMedSAM leverages class prompts to embed semantic information into the model's predictions, transforming MedSAM's semi-automated pipeline into a fully automated workflow. Furthermore, AutoMedSAM employs an uncertainty-aware joint optimization strategy during training to effectively inherit MedSAM's pre-trained knowledge while improving generalization by integrating multiple loss functions. Experimental results across diverse datasets demonstrate that AutoMedSAM achieves superior performance while broadening its applicability to both clinical settings and non-expert users. Code is available at https://github.com/HP-ML/AutoPromptMedSAM.git.
Authors: Hengrui Luo, Yunzhang Zhu
Abstract: We derived the closed-form asymptotic optimism of linear regression models under random designs, and generalizes it to kernel ridge regression. Using scaled asymptotic optimism as a generic predictive model complexity measure, we studied the fundamental different behaviors of linear regression model, tangent kernel (NTK) regression model and three-layer fully connected neural networks (NN). Our contribution is two-fold: we provided theoretical ground for using scaled optimism as a model predictive complexity measure; and we show empirically that NN with ReLUs behaves differently from kernel models under this measure. With resampling techniques, we can also compute the optimism for regression models with real data.
Authors: Roberto Fl\'orez-Ablan, Marco Roth, Jan Schnabel
Abstract: Quantum kernels (QK) are widely used in quantum machine learning applications; yet, their potential to surpass classical machine learning methods on classical datasets remains uncertain. This limitation can be attributed to the exponential concentration phenomenon, which can impair both trainability and generalization. A common strategy to alleviate this is bandwidth tuning, which involves rescaling data points in the quantum model to improve generalization. In this work, we numerically demonstrate that optimal bandwidth tuning results in QKs that closely resemble radial basis function (RBF) kernels, leading to a lack of quantum advantage over classical methods. Moreover, we reveal that the size of optimal bandwidth tuning parameters further simplifies QKs, causing them to behave like polynomial kernels, corresponding to a low-order Taylor approximation of a RBF kernel. We thoroughly investigate this for fidelity quantum kernels and projected quantum kernels using various data encoding circuits across several classification datasets. We provide numerical evidence and derive a simple analytical model that elucidates how bandwidth tuning influences key quantities in classification tasks. Overall, our findings shed light on the mechanisms that render QK methods classically simulatable.
Authors: Bardia Nadimi, Ghali Omar Boutaib, Hao Zheng
Abstract: Designing Verilog modules requires meticulous attention to correctness, efficiency, and adherence to design specifications. However, manually writing Verilog code remains a complex and time-consuming task that demands both expert knowledge and iterative refinement. Leveraging recent advancements in large language models (LLMs) and their structured text generation capabilities, we propose VeriMind, an agentic LLM framework for Verilog code generation that significantly automates and optimizes the synthesis process. Unlike traditional LLM-based code generators, VeriMind employs a structured reasoning approach: given a user-provided prompt describing design requirements, the system first formulates a detailed train of thought before the final Verilog code is generated. This multi-step methodology enhances interpretability, accuracy, and adaptability in hardware design. In addition, we introduce a novel evaluation metric-pass@ARC-which combines the conventional pass@k measure with Average Refinement Cycles (ARC) to capture both success rate and the efficiency of iterative refinement. Experimental results on diverse hardware design tasks demonstrated that our approach achieved up to $8.3\%$ improvement on pass@k metric and $8.1\%$ on pass@ARC metric. These findings underscore the transformative potential of agentic LLMs in automated hardware design, RTL development, and digital system synthesis.
Authors: Zhidi Lin, Ying Li, Feng Yin, Juan Maro\~nas, Alexandre H. Thi\'ery
Abstract: Gaussian process state-space models (GPSSMs) offer a principled framework for learning and inference in nonlinear dynamical systems with uncertainty quantification. However, existing GPSSMs are limited by the use of multiple independent stationary Gaussian processes (GPs), leading to prohibitive computational and parametric complexity in high-dimensional settings and restricted modeling capacity for non-stationary dynamics. To address these challenges, we propose an efficient transformed Gaussian process state-space model (ETGPSSM) for scalable and flexible modeling of high-dimensional, non-stationary dynamical systems. Specifically, our ETGPSSM integrates a single shared GP with input-dependent normalizing flows, yielding an expressive implicit process prior that captures complex, non-stationary transition dynamics while significantly reducing model complexity. For the inference of the implicit process, we develop a variational inference algorithm that jointly approximates the posterior over the underlying GP and the neural network parameters defining the normalizing flows. To avoid explicit variational parameterization of the latent states, we further incorporate the ensemble Kalman filter (EnKF) into the variational framework, enabling accurate and efficient state estimation. Extensive empirical evaluations on synthetic and real-world datasets demonstrate the superior performance of our ETGPSSM in system dynamics learning, high-dimensional state estimation, and time-series forecasting, outperforming existing GPSSMs and neural network-based SSMs in terms of computational efficiency and accuracy.
Authors: Hedong Yan
Abstract: In order to reduce the cost of experimental evaluation for models, we introduce a computational theory of evaluation for prediction and decision models: build evaluation model to accelerate the evaluation procedures. We prove upper bounds of generalized error and generalized causal effect error of given evaluation models. We also prove efficiency, and consistency to estimated causal effect from deployed subject to evaluation metric by prediction. To learn evaluation models, we propose a meta-learner to handle heterogeneous evaluation subjects space problem. Comparing with existed evaluation approaches, our (conditional) evaluation model reduced 24.1\%-99.0\% evaluation errors across 12 scenes, including individual medicine, scientific simulation, social experiment, business activity, and quantum trade. The evaluation time is reduced 3-7 order of magnitude comparing with experiments or simulations.
Authors: Manh Pham Hung, Matthew Yiwen Ho, Yiming Zhang, Dimitris Spathis, Aaqib Saeed, Dong Ma
Abstract: Photoplethysmography (PPG) is a widely adopted, non-invasive technique for monitoring cardiovascular health and physiological parameters in both consumer and clinical settings. While motion artifacts in dynamic environments have been extensively studied, suboptimal skin-sensor contact in sedentary conditions - a critical yet underexplored issue - can distort PPG waveform morphology, leading to the loss or misalignment of key features and compromising sensing accuracy. In this work, we propose CP-PPG, a novel framework that transforms Contact Pressure-distorted PPG signals into high-fidelity waveforms with ideal morphology. CP-PPG integrates a custom data collection protocol, a carefully designed signal processing pipeline, and a novel deep adversarial model trained with a custom PPG-aware loss function. We validated CP-PPG through comprehensive evaluations, including 1) morphology transformation performance on our self-collected dataset, 2) downstream physiological monitoring performance on public datasets, and 3) in-the-wild study. Extensive experiments demonstrate substantial and consistent improvements in signal fidelity (Mean Absolute Error: 0.09, 40% improvement over the original signal) as well as downstream performance across all evaluations in Heart Rate (HR), Heart Rate Variability (HRV), Respiration Rate (RR), and Blood Pressure (BP) estimation (on average, 21% improvement in HR; 41-46% in HRV; 6% in RR; and 4-5% in BP). These findings highlight the critical importance of addressing skin-sensor contact issues to enhance the reliability and effectiveness of PPG-based physiological monitoring. CP-PPG thus holds significant potential to improve the accuracy of wearable health technologies in clinical and consumer applications.
Authors: Xavier S\'echeresse, Jacques-Yves Guilbert--Ly, Antoine Villedieu de Torcy
Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, with their performance heavily dependent on the quality of input prompts. While prompt engineering has proven effective, it typically relies on manual adjustments, making it time-consuming and potentially suboptimal. This paper introduces GAAPO (Genetic Algorithm Applied to Prompt Optimization), a novel hybrid optimization framework that leverages genetic algorithm principles to evolve prompts through successive generations. Unlike traditional genetic approaches that rely solely on mutation and crossover operations, GAAPO integrates multiple specialized prompt generation strategies within its evolutionary framework. Through extensive experimentation on diverse datasets including ETHOS, MMLU-Pro, and GPQA, our analysis reveals several important point for the future development of automatic prompt optimization methods: importance of the tradeoff between the population size and the number of generations, effect of selection methods on stability results, capacity of different LLMs and especially reasoning models to be able to automatically generate prompts from similar queries... Furthermore, we provide insights into the relative effectiveness of different prompt generation strategies and their evolution across optimization phases. These findings contribute to both the theoretical understanding of prompt optimization and practical applications in improving LLM performance.
Authors: Osvaldo Simeone, Sangwoo Park, Matteo Zecchin
Abstract: AI is poised to revolutionize telecommunication networks by boosting efficiency, automation, and decision-making. However, the black-box nature of most AI models introduces substantial risk, possibly deterring adoption by network operators. These risks are not addressed by the current prevailing deployment strategy, which typically follows a best-effort train-and-deploy paradigm. This paper reviews conformal calibration, a general framework that moves beyond the state of the art by adopting computationally lightweight, advanced statistical tools that offer formal reliability guarantees without requiring further training or fine-tuning. Conformal calibration encompasses pre-deployment calibration via uncertainty quantification or hyperparameter selection; online monitoring to detect and mitigate failures in real time; and counterfactual post-deployment performance analysis to address "what if" diagnostic questions after deployment. By weaving conformal calibration into the AI model lifecycle, network operators can establish confidence in black-box AI models as a dependable enabling technology for wireless systems.
Authors: Abhimanyu Rajeshkumar Bambhaniya, Hanjiang Wu, Suvinay Subramanian, Sudarshan Srinivasan, Souvik Kundu, Amir Yazdanbakhsh, Midhilesh Elavazhagan, Madhu Kumar, Tushar Krishna
Abstract: The rapid evolution of Large Language Models (LLMs) has driven the need for increasingly sophisticated inference pipelines and hardware platforms. Modern LLM serving extends beyond traditional prefill-decode workflows, incorporating multi-stage processes such as Retrieval Augmented Generation (RAG), key-value (KV) cache retrieval, dynamic model routing, and multi step reasoning. These stages exhibit diverse computational demands, requiring distributed systems that integrate GPUs, ASICs, CPUs, and memory-centric architectures. However, existing simulators lack the fidelity to model these heterogeneous, multi-engine workflows, limiting their ability to inform architectural decisions. To address this gap, we introduce HERMES, a Heterogeneous Multi-stage LLM inference Execution Simulator. HERMES models diverse request stages; including RAG, KV retrieval, reasoning, prefill, and decode across complex hardware hierarchies. HERMES supports heterogeneous clients executing multiple models concurrently unlike prior frameworks while incorporating advanced batching strategies and multi-level memory hierarchies. By integrating real hardware traces with analytical modeling, HERMES captures critical trade-offs such as memory bandwidth contention, inter-cluster communication latency, and batching efficiency in hybrid CPU-accelerator deployments. Through case studies, we explore the impact of reasoning stages on end-to-end latency, optimal batching strategies for hybrid pipelines, and the architectural implications of remote KV cache retrieval. HERMES empowers system designers to navigate the evolving landscape of LLM inference, providing actionable insights into optimizing hardware-software co-design for next-generation AI workloads.
Authors: Soumyadeep Pal, Changsheng Wang, James Diffenderfer, Bhavya Kailkhura, Sijia Liu
Abstract: Large language model unlearning has become a critical challenge in ensuring safety and controlled model behavior by removing undesired data-model influences from the pretrained model while preserving general utility. Significant recent efforts have been dedicated to developing LLM unlearning benchmarks such as WMDP (Weapons of Mass Destruction Proxy) and MUSE (Machine Unlearning Six-way Evaluation), facilitating standardized unlearning performance assessment and method comparison. Despite their usefulness, we uncover for the first time a novel coreset effect within these benchmarks. Specifically, we find that LLM unlearning achieved with the original (full) forget set can be effectively maintained using a significantly smaller subset (functioning as a "coreset"), e.g., as little as 5% of the forget set, even when selected at random. This suggests that LLM unlearning in these benchmarks can be performed surprisingly easily, even in an extremely low-data regime. We demonstrate that this coreset effect remains strong, regardless of the LLM unlearning method used, such as NPO (Negative Preference Optimization) and RMU (Representation Misdirection Unlearning), the popular ones in these benchmarks. The surprisingly strong coreset effect is also robust across various data selection methods, ranging from random selection to more sophisticated heuristic approaches. We explain the coreset effect in LLM unlearning through a keyword-based perspective, showing that keywords extracted from the forget set alone contribute significantly to unlearning effectiveness and indicating that current unlearning is driven by a compact set of high-impact tokens rather than the entire dataset. We further justify the faithfulness of coreset-unlearned models along additional dimensions, such as mode connectivity and robustness to jailbreaking attacks. Codes are available at https://github.com/OPTML-Group/MU-Coreset.
Authors: Gene Tangtartharakul, Katherine R. Storrs
Abstract: Visual Language Models (VLMs) show remarkable performance in visual reasoning tasks, successfully tackling college-level challenges that require high-level understanding of images. However, some recent reports of VLMs struggling to reason about elemental visual concepts like orientation, position, continuity, and occlusion suggest a potential gulf between human and VLM vision. Here we use the toolkit of neuropsychology to systematically assess the capabilities of three state-of-the-art VLMs across visual domains. Using 51 tests drawn from six clinical and experimental batteries, we characterise the visual abilities of leading VLMs relative to normative performance in healthy adults. While the models excel in straightforward object recognition tasks, we find widespread deficits in low- and mid-level visual abilities that would be considered clinically significant in humans. These selective deficits, profiled through validated test batteries, suggest that an artificial system can achieve complex object recognition without developing foundational visual concepts that in humans require no explicit training.
Authors: Lukas-Benedikt Fiechtner, Jose Blanchet
Abstract: Distributionally Robust Optimization (DRO) is a popular framework for decision-making under uncertainty, but its adversarial nature can lead to overly conservative solutions. To address this, we study ex-ante Distributionally Robust Regret Optimization (DRRO), focusing on Wasserstein-based ambiguity sets which are popular due to their links to regularization and machine learning. We provide a systematic analysis of Wasserstein DRRO, paralleling known results for Wasserstein DRO. Under smoothness and regularity conditions, we show that Wasserstein DRRO coincides with Empirical Risk Minimization (ERM) up to first-order terms, and exactly so in convex quadratic settings. We revisit the Wasserstein DRRO newsvendor problem, where the loss is the maximum of two linear functions of demand and decision. Extending [25], we show that the regret can be computed by maximizing two one-dimensional concave functions. For more general loss functions involving the maximum of multiple linear terms in multivariate random variables and decision vectors, we prove that computing the regret and thus also the DRRO policy is NP-hard. We then propose a convex relaxation for these more general Wasserstein DRRO problems and demonstrate its strong empirical performance. Finally, we provide an upper bound on the optimality gap of our relaxation and show it improves over recent alternatives.
Authors: William Hackett, Lewis Birch, Stefan Trawicki, Neeraj Suri, Peter Garraghan
Abstract: Large Language Models (LLMs) guardrail systems are designed to protect against prompt injection and jailbreak attacks. However, they remain vulnerable to evasion techniques. We demonstrate two approaches for bypassing LLM prompt injection and jailbreak detection systems via traditional character injection methods and algorithmic Adversarial Machine Learning (AML) evasion techniques. Through testing against six prominent protection systems, including Microsoft's Azure Prompt Shield and Meta's Prompt Guard, we show that both methods can be used to evade detection while maintaining adversarial utility achieving in some instances up to 100% evasion success. Furthermore, we demonstrate that adversaries can enhance Attack Success Rates (ASR) against black-box targets by leveraging word importance ranking computed by offline white-box models. Our findings reveal vulnerabilities within current LLM protection mechanisms and highlight the need for more robust guardrail systems.
Authors: Taewook Kang, Bum-Jae You, Juyoun Park, Yisoo Lee
Abstract: The growing demand for robots to operate effectively in diverse environments necessitates the need for robust real-time anomaly detection techniques during robotic operations. However, deep learning-based models in robotics face significant challenges due to limited training data and highly noisy signal features. In this paper, we present Sparse Masked Autoregressive Flow-based Adversarial AutoEncoders model to address these problems. This approach integrates Masked Autoregressive Flow model into Adversarial AutoEncoders to construct a flexible latent space and utilize Sparse autoencoder to efficiently focus on important features, even in scenarios with limited feature space. Our experiments demonstrate that the proposed model achieves a 4.96% to 9.75% higher area under the receiver operating characteristic curve for pick-and-place robotic operations with randomly placed cans, compared to existing state-of-the-art methods. Notably, it showed up to 19.67% better performance in scenarios involving collisions with lightweight objects. Additionally, unlike the existing state-of-the-art model, our model performs inferences within 1 millisecond, ensuring real-time anomaly detection. These capabilities make our model highly applicable to machine learning-based robotic safety systems in dynamic environments. The code will be made publicly available after acceptance.