Authors: Abhiroop Bhattacharya, Sylvain G. Cloutier
Abstract: The recent progress of using graph based encoding of crystal structures for high throughput material property prediction has been quite successful. However, using a single modality model prevents us from exploiting the advantages of an enhanced features space by combining different representations. Specifically, pre-trained Large language models(LLMs) can encode a large amount of knowledge which is beneficial for training of models. Moreover, the graph encoder is able to learn the local features while the text encoder is able to learn global information such as space group and crystal symmetry. In this work, we propose Material Multi-Modal Fusion(MatMMFuse), a fusion based model which uses a multi-head attention mechanism for the combination of structure aware embedding from the Crystal Graph Convolution Network (CGCNN) and text embeddings from the SciBERT model. We train our model in an end-to-end framework using data from the Materials Project Dataset. We show that our proposed model shows an improvement compared to the vanilla CGCNN and SciBERT model for all four key properties: formation energy, band gap, energy above hull and fermi energy. Specifically, we observe an improvement of 40% compared to the vanilla CGCNN model and 68% compared to the SciBERT model for predicting the formation energy per atom. Importantly, we demonstrate the zero shot performance of the trained model on small curated datasets of Perovskites, Chalcogenides and the Jarvis Dataset. The results show that the proposed model exhibits better zero shot performance than the individual plain vanilla CGCNN and SciBERT model. This enables researchers to deploy the model for specialized industrial applications where collection of training data is prohibitively expensive.
Authors: Shai Feldman, Stephen Bates, Yaniv Romano
Abstract: We introduce a framework for robust uncertainty quantification in situations where labeled training data are corrupted, through noisy or missing labels. We build on conformal prediction, a statistical tool for generating prediction sets that cover the test label with a pre-specified probability. The validity of conformal prediction, however, holds under the i.i.d assumption, which does not hold in our setting due to the corruptions in the data. To account for this distribution shift, the privileged conformal prediction (PCP) method proposed leveraging privileged information (PI) -- additional features available only during training -- to re-weight the data distribution, yielding valid prediction sets under the assumption that the weights are accurate. In this work, we analyze the robustness of PCP to inaccuracies in the weights. Our analysis indicates that PCP can still yield valid uncertainty estimates even when the weights are poorly estimated. Furthermore, we introduce uncertain imputation (UI), a new conformal method that does not rely on weight estimation. Instead, we impute corrupted labels in a way that preserves their uncertainty. Our approach is supported by theoretical guarantees and validated empirically on both synthetic and real benchmarks. Finally, we show that these techniques can be integrated into a triply robust framework, ensuring statistically valid predictions as long as at least one underlying method is valid.
Authors: Stepan Tretiakov, Xingjian Li, Krishna Kumar
Abstract: Neural operators, particularly the Deep Operator Network (DeepONet), have shown promise in learning mappings between function spaces for solving differential equations. However, standard DeepONet requires input functions to be sampled at fixed locations, limiting its applicability in scenarios with variable sensor configurations, missing data, or irregular grids. We introduce the Set Operator Network (SetONet), a novel architecture that integrates Deep Sets principles into the DeepONet framework to address this limitation. The core innovation lies in the SetONet branch network, which processes the input function as an unordered \emph{set} of location-value pairs. This design ensures permutation invariance with respect to the input points, making SetONet inherently robust to variations in the number and locations of sensors. SetONet learns richer, spatially-aware input representations by explicitly processing spatial coordinates and function values. We demonstrate SetONet's effectiveness on several benchmark problems, including derivative/anti-derivative operators, 1D Darcy flow, and 2D elasticity. Results show that SetONet successfully learns operators under variable input sampling conditions where standard DeepONet fails. Furthermore, SetONet is architecturally robust to sensor drop-off; unlike standard DeepONet, which requires methods like interpolation to function with missing data. Notably, SetONet can achieve comparable or improved accuracy over DeepONet on fixed grids, particularly for nonlinear problems, likely due to its enhanced input representation. SetONet provides a flexible and robust extension to the neural operator toolkit, significantly broadening the applicability of operator learning to problems with variable or incomplete input data.
Authors: Kenneth Li, Yida Chen, Fernanda Vi\'egas, Martin Wattenberg
Abstract: In large language model (LLM) pretraining, data quality is believed to determine model quality. In this paper, we re-examine the notion of "quality" from the perspective of pre- and post-training co-design. Specifically, we explore the possibility that pre-training on more toxic data can lead to better control in post-training, ultimately decreasing a model's output toxicity. First, we use a toy experiment to study how data composition affects the geometry of features in the representation space. Next, through controlled experiments with Olmo-1B models trained on varying ratios of clean and toxic data, we find that the concept of toxicity enjoys a less entangled linear representation as the proportion of toxic data increases. Furthermore, we show that although toxic data increases the generational toxicity of the base model, it also makes the toxicity easier to remove. Evaluations on Toxigen and Real Toxicity Prompts demonstrate that models trained on toxic data achieve a better trade-off between reducing generational toxicity and preserving general capabilities when detoxifying techniques such as inference-time intervention (ITI) are applied. Our findings suggest that, with post-training taken into account, bad data may lead to good models.
Authors: Louis Bouvier, Thibault Prunet, Vincent Lecl\`ere, Axel Parmentier
Abstract: This paper introduces a novel approach to contextual stochastic optimization, integrating operations research and machine learning to address decision-making under uncertainty. Traditional methods often fail to leverage contextual information, which underscores the necessity for new algorithms. In this study, we utilize neural networks with combinatorial optimization layers to encode policies. Our goal is to minimize the empirical risk, which is estimated from past data on uncertain parameters and contexts. To that end, we present a surrogate learning problem and a generic primal-dual algorithm that is applicable to various combinatorial settings in stochastic optimization. Our approach extends classic Fenchel-Young loss results and introduces a new regularization method using sparse perturbations on the distribution simplex. This allows for tractable updates in the original space and can accommodate diverse objective functions. We demonstrate the linear convergence of our algorithm under certain conditions and provide a bound on the non-optimality of the resulting policy in terms of the empirical risk. Experiments on a contextual stochastic minimum weight spanning tree problem show that our algorithm is efficient and scalable, achieving performance comparable to imitation learning of solutions computed using an expensive Lagrangian-based heuristic.
Authors: Amr Alkhatib, Roman Bresson, Henrik Bostr\"om, Michalis Vazirgiannis
Abstract: Shapley values have several desirable, theoretically well-supported, properties for explaining black-box model predictions. Traditionally, Shapley values are computed post-hoc, leading to additional computational cost at inference time. To overcome this, a novel method, called ViaSHAP, is proposed, that learns a function to compute Shapley values, from which the predictions can be derived directly by summation. Two approaches to implement the proposed method are explored; one based on the universal approximation theorem and the other on the Kolmogorov-Arnold representation theorem. Results from a large-scale empirical investigation are presented, showing that ViaSHAP using Kolmogorov-Arnold Networks performs on par with state-of-the-art algorithms for tabular data. It is also shown that the explanations of ViaSHAP are significantly more accurate than the popular approximator FastSHAP on both tabular data and images.
Authors: Jade Garcia Bourr\'ee, Augustin Godinot, Martijn De Vos, Milos Vujasinovic, Sayan Biswas, Gilles Tredan, Erwan Le Merrer, Anne-Marie Kermarrec
Abstract: The rapid adoption of ML decision-making systems across products and services has led to a set of regulations on how such systems should behave and be built. Among all the technical challenges to enforcing these regulations, one crucial, yet under-explored problem is the risk of manipulation while these systems are being audited for fairness. This manipulation occurs when a platform deliberately alters its answers to a regulator to pass an audit without modifying its answers to other users. In this paper, we introduce a novel approach to manipulation-proof auditing by taking into account the auditor's prior knowledge of the task solved by the platform. We first demonstrate that regulators must not rely on public priors (e.g. a public dataset), as platforms could easily fool the auditor in such cases. We then formally establish the conditions under which an auditor can prevent audit manipulations using prior knowledge about the ground truth. Finally, our experiments with two standard datasets exemplify the maximum level of unfairness a platform can hide before being detected as malicious. Our formalization and generalization of manipulation-proof auditing with a prior opens up new research directions for more robust fairness audits.
Authors: Xiao Wang, Jong-Youl Choi, Takuya Kurihaya, Isaac Lyngaas, Hong-Jun Yoon, Ming Fan, Nasik Muhammad Nafi, Aristeidis Tsaris, Ashwin M. Aji, Maliha Hossain, Mohamed Wahib, Dali Wang, Peter Thornton, Prasanna Balaprakash, Moetasim Ashfaq, Dan Lu
Abstract: Sparse observations and coarse-resolution climate models limit effective regional decision-making, underscoring the need for robust downscaling. However, existing AI methods struggle with generalization across variables and geographies and are constrained by the quadratic complexity of Vision Transformer (ViT) self-attention. We introduce ORBIT-2, a scalable foundation model for global, hyper-resolution climate downscaling. ORBIT-2 incorporates two key innovations: (1) Residual Slim ViT (Reslim), a lightweight architecture with residual learning and Bayesian regularization for efficient, robust prediction; and (2) TILES, a tile-wise sequence scaling algorithm that reduces self-attention complexity from quadratic to linear, enabling long-sequence processing and massive parallelism. ORBIT-2 scales to 10 billion parameters across 32,768 GPUs, achieving up to 1.8 ExaFLOPS sustained throughput and 92-98% strong scaling efficiency. It supports downscaling to 0.9 km global resolution and processes sequences up to 4.2 billion tokens. On 7 km resolution benchmarks, ORBIT-2 achieves high accuracy with R^2 scores in the range of 0.98 to 0.99 against observation data.
Authors: Vahan Martirosyan, Jhony H. Giraldo, Fragkiskos D. Malliaros
Abstract: Graph Neural Networks (GNNs) have achieved significant success across various domains by leveraging graph structures in data. Existing spectral GNNs, which use low-degree polynomial filters to capture graph spectral properties, may not fully identify the graph's spectral characteristics because of the polynomial's small degree. However, increasing the polynomial degree is computationally expensive and beyond certain thresholds leads to performance plateaus or degradation. In this paper, we introduce the Piecewise Constant Spectral Graph Neural Network(PieCoN) to address these challenges. PieCoN combines constant spectral filters with polynomial filters to provide a more flexible way to leverage the graph structure. By adaptively partitioning the spectrum into intervals, our approach increases the range of spectral properties that can be effectively learned. Experiments on nine benchmark datasets, including both homophilic and heterophilic graphs, demonstrate that PieCoN is particularly effective on heterophilic datasets, highlighting its potential for a wide range of applications.
Authors: Junhao Xiong, Hunter Nisonoff, Ishan Gaur, Jennifer Listgarten
Abstract: Generative machine learning models have begun to transform protein engineering, yet no principled framework for conditioning on auxiliary information in a plug-and-play manner exists; one may want to iteratively incorporate experimental feedback, or make use of an existing classifier -- such as for predicting enzyme commission number -- in order to guide the sampling of the generative model to generate sequences with desired properties. Herein, we present ProteinGuide, a rigorous and general framework to achieve just that: through unifying a broad class of protein generative models that includes masked language, (order-agnostic) autoregressive, diffusion and flow-matching models, we provide an approach to statistically condition pre-trained protein generative models. We demonstrate applicability of our approach by guiding each of two commonly used protein generative models, ProteinMPNN and ESM3, to generate amino acid and structure token sequences conditioned on several user-specified properties, namely, enhanced stability and CATH-labeled fold generation.
Authors: Kusha Sareen, Morgane M Moss, Alessandro Sordoni, Rishabh Agarwal, Arian Hosseini
Abstract: Prevalent reinforcement learning~(RL) methods for fine-tuning LLM reasoners, such as GRPO or Leave-one-out PPO, abandon the learned value function in favor of empirically estimated returns. This hinders test-time compute scaling that relies on using the value-function for verification. In this work, we propose RL$^V$ that augments any ``value-free'' RL method by jointly training the LLM as both a reasoner and a generative verifier using RL-generated data, adding verification capabilities without significant overhead. Empirically, RL$^V$ boosts MATH accuracy by over 20\% with parallel sampling and enables $8-32\times$ efficient test-time compute scaling compared to the base RL method. RL$^V$ also exhibits strong generalization capabilities for both easy-to-hard and out-of-domain tasks. Furthermore, RL$^V$ achieves $1.2-1.6\times$ higher performance when jointly scaling parallel and sequential test-time compute with a long reasoning R1 model.
Authors: Minh K. Quan, Pubudu N. Pathirana, Mayuri Wijayasundara, Sujeeva Setunge, Dinh C. Nguyen, Christopher G. Brinton, David J. Love, H. Vincent Poor
Abstract: The integration of machine learning (ML) in cyber physical systems (CPS) is a complex task due to the challenges that arise in terms of real-time decision making, safety, reliability, device heterogeneity, and data privacy. There are also open research questions that must be addressed in order to fully realize the potential of ML in CPS. Federated learning (FL), a distributed approach to ML, has become increasingly popular in recent years. It allows models to be trained using data from decentralized sources. This approach has been gaining popularity in the CPS field, as it integrates computer, communication, and physical processes. Therefore, the purpose of this work is to provide a comprehensive analysis of the most recent developments of FL-CPS, including the numerous application areas, system topologies, and algorithms developed in recent years. The paper starts by discussing recent advances in both FL and CPS, followed by their integration. Then, the paper compares the application of FL in CPS with its applications in the internet of things (IoT) in further depth to show their connections and distinctions. Furthermore, the article scrutinizes how FL is utilized in critical CPS applications, e.g., intelligent transportation systems, cybersecurity services, smart cities, and smart healthcare solutions. The study also includes critical insights and lessons learned from various FL-CPS implementations. The paper's concluding section delves into significant concerns and suggests avenues for further research in this fast-paced and dynamic era.
Authors: Ziqing Qiao, Yongheng Deng, Jiali Zeng, Dong Wang, Lai Wei, Fandong Meng, Jie Zhou, Ju Ren, Yaoxue Zhang
Abstract: Large Reasoning Models (LRMs) perform strongly in complex reasoning tasks via Chain-of-Thought (CoT) prompting, but often suffer from verbose outputs caused by redundant content, increasing computational overhead, and degrading user experience. Existing compression methods either operate post-hoc pruning, risking disruption to reasoning coherence, or rely on sampling-based selection, which fails to intervene effectively during generation. In this work, we introduce a confidence-guided perspective to explain the emergence of redundant reflection in LRMs, identifying two key patterns: Confidence Deficit, where the model reconsiders correct steps due to low internal confidence, and Termination Delay, where reasoning continues even after reaching a confident answer. Based on this analysis, we propose ConCISE (Confidence-guided Compression In Step-by-step Efficient Reasoning), a framework that simplifies reasoning chains by reinforcing the model's confidence during inference, thus preventing the generation of redundant reflection steps. It integrates Confidence Injection to stabilize intermediate steps and Early Stopping to terminate reasoning when confidence is sufficient. Extensive experiments demonstrate that fine-tuning LRMs on ConCISE-generated data yields significantly shorter outputs, reducing length by up to approximately 50% under SimPO, while maintaining high task accuracy. ConCISE consistently outperforms existing baselines across multiple reasoning benchmarks.
Authors: Tianzhe Xiao, Yichen Li, Yu Zhou, Yining Qi, Yi Liu, Wei Wang, Haozhao Wang, Yi Wang, Ruixuan Li
Abstract: Despite Federated Learning (FL) employing gradient aggregation at the server for distributed training to prevent the privacy leakage of raw data, private information can still be divulged through the analysis of uploaded gradients from clients. Substantial efforts have been made to integrate local differential privacy (LDP) into the system to achieve a strict privacy guarantee. However, existing methods fail to take practical issues into account by merely perturbing each sample with the same mechanism while each client may have their own privacy preferences on privacy-sensitive information (PSI), which is not uniformly distributed across the raw data. In such a case, excessive privacy protection from private-insensitive information can additionally introduce unnecessary noise, which may degrade the model performance. In this work, we study the PSI within data and develop FedRE, that can simultaneously achieve robustness and effectiveness benefits with LDP protection. More specifically, we first define PSI with regard to the privacy preferences of each client. Then, we optimize the LDP by allocating less privacy budget to gradients with higher PSI in a layer-wise manner, thus providing a stricter privacy guarantee for PSI. Furthermore, to mitigate the performance degradation caused by LDP, we design a parameter aggregation mechanism based on the distribution of the perturbed information. We conducted experiments with text tamper detection on T-SROIE and DocTamper datasets, and FedRE achieves competitive performance compared to state-of-the-art methods.
Authors: Cong Qi, Yeqing Chen, Jie Zhang, Wei Zhi
Abstract: Single-cell RNA sequencing (scRNA-seq) has revealed complex cellular heterogeneity, but recent studies emphasize that understanding biological function also requires modeling cell-cell communication (CCC), the signaling interactions mediated by ligand-receptor pairs that coordinate cellular behavior. Tools like CellChat have demonstrated that CCC plays a critical role in processes such as cell differentiation, tissue regeneration, and immune response, and that transcriptomic data inherently encodes rich information about intercellular signaling. We propose CCCVAE, a novel variational autoencoder framework that incorporates CCC signals into single-cell representation learning. By leveraging a communication-aware kernel derived from ligand-receptor interactions and a sparse Gaussian process, CCCVAE encodes biologically informed priors into the latent space. Unlike conventional VAEs that treat each cell independently, CCCVAE encourages latent embeddings to reflect both transcriptional similarity and intercellular signaling context. Empirical results across four scRNA-seq datasets show that CCCVAE improves clustering performance, achieving higher evaluation scores than standard VAE baselines. This work demonstrates the value of embedding biological priors into deep generative models for unsupervised single-cell analysis.
Authors: Nazanin Mehregan, Robson E. De Grande
Abstract: The rapid advancement of 5G has transformed vehicular networks, offering high bandwidth, low latency, and fast data rates essential for real-time applications in smart cities and vehicles. These improvements enhance traffic safety and entertainment services. However, the limited coverage and frequent handovers in 5G networks cause network instability, especially in high-mobility environments due to the ping-pong effect. This paper presents TH-GCN (Throughput-oriented Graph Convolutional Network), a novel approach for optimizing handover management in dense 5G networks. Using graph neural networks (GNNs), TH-GCN models vehicles and base stations as nodes in a dynamic graph enriched with features such as signal quality, throughput, vehicle speed, and base station load. By integrating both user equipment and base station perspectives, this dual-centric approach enables adaptive, real-time handover decisions that improve network stability. Simulation results show that TH-GCN reduces handovers by up to 78 percent and improves signal quality by 10 percent, outperforming existing methods.
Authors: Qiyang Han, Masaaki Imaizumi
Abstract: In this paper, we provide the first precise distributional characterization of gradient descent iterates for general multi-layer neural networks under the canonical single-index regression model, in the `finite-width proportional regime' where the sample size and feature dimension grow proportionally while the network width and depth remain bounded. Our non-asymptotic state evolution theory captures Gaussian fluctuations in first-layer weights and concentration in deeper-layer weights, and remains valid for non-Gaussian features. Our theory differs from existing neural tangent kernel (NTK), mean-field (MF) theories and tensor program (TP) in several key aspects. First, our theory operates in the finite-width regime whereas these existing theories are fundamentally infinite-width. Second, our theory allows weights to evolve from individual initializations beyond the lazy training regime, whereas NTK and MF are either frozen at or only weakly sensitive to initialization, and TP relies on special initialization schemes. Third, our theory characterizes both training and generalization errors for general multi-layer neural networks beyond the uniform convergence regime, whereas existing theories study generalization almost exclusively in two-layer settings. As a statistical application, we show that vanilla gradient descent can be augmented to yield consistent estimates of the generalization error at each iteration, which can be used to guide early stopping and hyperparameter tuning. As a further theoretical implication, we show that despite model misspecification, the model learned by gradient descent retains the structure of a single-index function with an effective signal determined by a linear combination of the true signal and the initialization.
Authors: Soham Khisa, Avijoy Chakma
Abstract: Technological advancements have led to the rise of wearable devices with sensors that continuously monitor user activities, generating vast amounts of unlabeled data. This data is challenging to interpret, and manual annotation is labor-intensive and error-prone. Additionally, data distribution is often heterogeneous due to device placement, type, and user behavior variations. As a result, traditional transfer learning methods perform suboptimally, making it difficult to recognize daily activities. To address these challenges, we use a variational autoencoder (VAE) to learn a shared, low-dimensional latent space from available sensor data. This space generalizes data across diverse sensors, mitigating heterogeneity and aiding robust adaptation to the target domain. We integrate contrastive learning to enhance feature representation by aligning instances of the same class across domains while separating different classes. We propose Variational Contrastive Domain Adaptation (VaCDA), a multi-source domain adaptation framework combining VAEs and contrastive learning to improve feature representation and reduce heterogeneity between source and target domains. We evaluate VaCDA on multiple publicly available datasets across three heterogeneity scenarios: cross-person, cross-position, and cross-device. VaCDA outperforms the baselines in cross-position and cross-device scenarios.
Authors: Jiaqi Zheng, Qing Ling, Yerong Feng
Abstract: Although deep learning models have demonstrated remarkable potential in weather prediction, most of them overlook either the \textbf{physics} of the underlying weather evolution or the \textbf{topology} of the Earth's surface. In light of these disadvantages, we develop PASSAT, a novel Physics-ASSisted And Topology-informed deep learning model for weather prediction. PASSAT attributes the weather evolution to two key factors: (i) the advection process that can be characterized by the advection equation and the Navier-Stokes equation; (ii) the Earth-atmosphere interaction that is difficult to both model and calculate. PASSAT also takes the topology of the Earth's surface into consideration, other than simply treating it as a plane. With these considerations, PASSAT numerically solves the advection equation and the Navier-Stokes equation on the spherical manifold, utilizes a spherical graph neural network to capture the Earth-atmosphere interaction, and generates the initial velocity fields that are critical to solving the advection equation from the same spherical graph neural network. In the $5.625^\circ$-resolution ERA5 data set, PASSAT outperforms both the state-of-the-art deep learning-based weather prediction models and the operational numerical weather prediction model IFS T42. Code and checkpoint are available at https://github.com/Yumenomae/PASSAT_5p625.
Authors: Yonghong Li, Xiuzhuang Zhou
Abstract: Trustworthy depression prediction based on deep learning, incorporating both predictive reliability and algorithmic fairness across diverse demographic groups, is crucial for clinical application. Recently, achieving reliable depression predictions through uncertainty quantification has attracted increasing attention. However, few studies have focused on the fairness of uncertainty quantification (UQ) in depression prediction. In this work, we investigate the algorithmic fairness of UQ, namely Equal Opportunity Coverage (EOC) fairness, and propose Fair Uncertainty Quantification (FUQ) for depression prediction. FUQ pursues reliable and fair depression predictions through group-based analysis. Specifically, we first group all the participants by different sensitive attributes and leverage conformal prediction to quantify uncertainty within each demographic group, which provides a theoretically guaranteed and valid way to quantify uncertainty for depression prediction and facilitates the investigation of fairness across different demographic groups. Furthermore, we propose a fairness-aware optimization strategy that formulates fairness as a constrained optimization problem under EOC constraints. This enables the model to preserve predictive reliability while adapting to the heterogeneous uncertainty levels across demographic groups, thereby achieving optimal fairness. Through extensive evaluations on several visual and audio depression datasets, our approach demonstrates its effectiveness.
Authors: Jeffrey Seathr\'un Sardina
Abstract: While Knowledge Graphs (KGs) have become increasingly popular across various scientific disciplines for their ability to model and interlink huge quantities of data, essentially all real-world KGs are known to be incomplete. As such, with the growth of KG use has been a concurrent development of machine learning tools designed to predict missing information in KGs, which is referred to as the Link Prediction Task. The majority of state-of-the-art link predictors to date have followed an embedding-based paradigm. In this paradigm, it is assumed that the information content of a KG is best represented by the (individual) vector representations of its nodes and edges, and that therefore node and edge embeddings are particularly well-suited to performing link prediction. This thesis proposes an alternative perspective on the field's approach to link prediction and KG data modelling. Specifically, this work re-analyses KGs and state-of-the-art link predictors from a graph-structure-first perspective that models the information content of a KG in terms of whole triples, rather than individual nodes and edges. Following a literature review and two core sets of experiments, this thesis concludes that a structure-first perspective on KGs and link prediction is both viable and useful for understanding KG learning and for enabling cross-KG transfer learning for the link prediction task. This observation is used to create and propose the Structural Alignment Hypothesis, which postulates that link prediction can be understood and modelled as a structural task. All code and data used for this thesis are open-sourced. This thesis was written bilingually, with the main document in English and an informal extended summary in Irish. An Irish-language translation dictionary of machine learning terms (the Focl\'oir Tr\'achtais) created for this work is open-sourced as well.
Authors: Dingshuo Chen, Shuchen Xue, Liuji Chen, Yingheng Wang, Qiang Liu, Shu Wu, Zhi-Ming Ma, Liang Wang
Abstract: Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual semantics, adapting DPMs to graph representation learning remains in its infancy. In this paper, we introduce Graffe, a self-supervised diffusion model proposed for graph representation learning. It features a graph encoder that distills a source graph into a compact representation, which, in turn, serves as the condition to guide the denoising process of the diffusion decoder. To evaluate the effectiveness of our model, we first explore the theoretical foundations of applying diffusion models to representation learning, proving that the denoising objective implicitly maximizes the conditional mutual information between data and its representation. Specifically, we prove that the negative logarithm of the denoising score matching loss is a tractable lower bound for the conditional mutual information. Empirically, we conduct a series of case studies to validate our theoretical insights. In addition, Graffe delivers competitive results under the linear probing setting on node and graph classification tasks, achieving state-of-the-art performance on 9 of the 11 real-world datasets. These findings indicate that powerful generative models, especially diffusion models, serve as an effective tool for graph representation learning.
Authors: Gekko Budiutama, Shunsuke Daimon, Hirofumi Nishi, Yu-ichiro Matsushita
Abstract: Discrete transforms, such as the discrete Fourier transform, are widely used in machine learning to improve model performance by extracting meaningful features. However, with numerous transforms available, selecting an appropriate one often depends on understanding the dataset's properties, making the approach less effective when such knowledge is unavailable. In this work, we propose General Transform (GT), an adaptive transform-based representation designed for machine learning applications. Unlike conventional transforms, GT learns data-driven mapping tailored to the dataset and task of interest. Here, we demonstrate that models incorporating GT outperform conventional transform-based approaches across computer vision and natural language processing tasks, highlighting its effectiveness in diverse learning scenarios.
Authors: Zhifeng Hu, Chong Han
Abstract: Terahertz (THz) unmanned aerial vehicle (UAV) networks with flexible topologies and ultra-high data rates are expected to empower numerous applications in security surveillance, disaster response, and environmental monitoring, among others. However, the dynamic topologies hinder the efficient long-term joint power and antenna array resource allocation for THz links among UAVs. Furthermore, the continuous nature of power and the discrete nature of antennas cause this joint resource allocation problem to be a mixed-integer nonlinear programming (MINLP) problem with non-convexity and NP-hardness. Inspired by recent rapid advancements in deep reinforcement learning (DRL), a graph neural network (GNN) aided DRL algorithm for resource allocation in the dynamic THz UAV network with an emphasis on self-node features (GLOVE) is proposed in this paper, with the aim of resource efficiency (RE) maximization. When training the allocation policy for each UAV, GLOVE learns the relationship between this UAV and its neighboring UAVs via GNN, while also emphasizing the important self-node features of this UAV. In addition, a multi-task structure is leveraged by GLOVE to cooperatively train resource allocation decisions for the power and sub-arrays of all UAVs. Experimental results illustrate that GLOVE outperforms benchmark schemes in terms of the highest RE and the lowest latency. Moreover, unlike the benchmark methods with severe packet loss, GLOVE maintains zero packet loss during the entire training process, demonstrating its better robustness under the highly dynamic THz UAV network.
Authors: Roberto Dillon, Arushi
Abstract: Continuous authentication systems leveraging free-text keyboard dynamics offer a promising additional layer of security in a multifactor authentication setup that can be used in a transparent way with no impact on user experience. This study investigates the efficacy of behavioral biometrics by employing an Agent-Based Model (ABM) to simulate diverse typing profiles across mechanical and membrane keyboards. Specifically, we generated synthetic keystroke data from five unique agents, capturing features related to dwell time, flight time, and error rates within sliding 5-second windows updated every second. Two machine learning approaches, One-Class Support Vector Machine (OC-SVM) and Random Forest (RF), were evaluated for user verification. Results revealed a stark contrast in performance: while One-Class SVM failed to differentiate individual users within each group, Random Forest achieved robust intra-keyboard user recognition (Accuracy > 0.7) but struggled to generalize across keyboards for the same user, highlighting the significant impact of keyboard hardware on typing behavior. These findings suggest that: (1) keyboard-specific user profiles may be necessary for reliable authentication, and (2) ensemble methods like RF outperform One-Class SVM in capturing fine-grained user-specific patterns.
Authors: Waldemar Hahn, Jan-Niklas Eckardt, Christoph R\"ollig, Martin Sedlmayr, Jan Moritz Middeke, Markus Wolfien
Abstract: The generation of synthetic clinical trial data offers a promising approach to mitigating privacy concerns and data accessibility limitations in medical research. However, ensuring that synthetic datasets maintain high fidelity, utility, and adherence to domain-specific constraints remains a key challenge. While hyperparameter optimization (HPO) has been shown to improve generative model performance, the effectiveness of different optimization strategies for synthetic clinical data remains unclear. This study systematically evaluates four HPO strategies across eight generative models, comparing single-metric optimization against compound metric optimization approaches. Our results demonstrate that HPO consistently improves synthetic data quality, with TVAE, CTGAN, and CTAB-GAN+ achieving improvements of up to 60%, 39%, and 38%, respectively. Compound metric optimization outperformed single-metric strategies, producing more balanced and generalizable synthetic datasets. Interestingly, HPO alone is insufficient to ensure clinically valid synthetic data, as all models exhibited violations of fundamental survival constraints. Preprocessing and postprocessing played a crucial role in reducing these violations, as models lacking robust processing steps produced invalid data in up to 61% of cases. These findings underscore the necessity of integrating explicit domain knowledge alongside HPO to create high quality synthetic datasets. Our study provides actionable recommendations for improving synthetic data generation, with future research needed to refine metric selection and validate these findings on larger datasets to enhance clinical applicability.
Authors: Ruwen Fulek, Markus Lange-Hegermann
Abstract: We present a simple yet effective generative model for time series data based on a Variational Autoencoder (VAE) with recurrent layers, referred to as the Recurrent Variational Autoencoder with Subsequent Training (RVAE-ST). Our method introduces an adapted training scheme that progressively increases the sequence length, addressing the challenge recurrent layers typically face when modeling long sequences. By leveraging the recurrent architecture, the model maintains a constant number of parameters regardless of sequence length. This design encourages approximate time-shift equivariance and enables efficient modeling of long-range temporal dependencies. Rather than introducing a fundamentally new architecture, we show that a carefully composed combination of known components can match or outperform state-of-the-art generative models on several benchmark datasets. Our model performs particularly well on time series that exhibit quasi-periodic structure,while remaining competitive on datasets with more irregular or partially non-stationary behavior. We evaluate its performance using ELBO, Fr\'echet Distance, discriminative scores, and visualizations of the learned embeddings.
Authors: Wei Chen, Shigui Li, Jiacheng Li, Junmei Yang, John Paisley, Delu Zeng
Abstract: Density ratio estimation is fundamental to tasks involving $f$-divergences, yet existing methods often fail under significantly different distributions or inadequately overlap supports, suffering from the \textit{density-chasm} and the \textit{support-chasm} problems. Additionally, prior approaches yield divergent time scores near boundaries, leading to instability. We propose $\text{D}^3\text{RE}$, a unified framework for robust and efficient density ratio estimation. It introduces the Dequantified Diffusion-Bridge Interpolant (DDBI), which expands support coverage and stabilizes time scores via diffusion bridges and Gaussian dequantization. Building on DDBI, the Dequantified Schr\"odinger-Bridge Interpolant (DSBI) incorporates optimal transport to solve the Schr\"odinger bridge problem, enhancing accuracy and efficiency. Our method offers uniform approximation and bounded time scores in theory, and outperforms baselines empirically in mutual information and density estimation tasks.
Authors: Azgar Ali Noor Ahamed
Abstract: Project and task scheduling under uncertainty remains a fundamental challenge in program and project management, where accurate estimation of task durations and dependencies is critical for delivering complex, multi project systems. The Program Evaluation and Review Technique provides a probabilistic framework to model task variability and critical paths. In this paper, the author presents a novel formulation of PERT scheduling as an energy minimization problem within a Hopfield neural network architecture. By mapping task start times and precedence constraints into a neural computation framework, the networks inherent optimization dynamics is exploited to approximate globally consistent schedules. The author addresses key theoretical issues related to energy function differentiability, constraint encoding, and convergence, and extends the Hopfield model for structured precedence graphs. Numerical simulations on synthetic project networks comprising up to 1000 tasks demonstrate the viability of this approach, achieving near optimal makespans with minimal constraint violations. The findings suggest that neural optimization models offer a promising direction for scalable and adaptive project tasks scheduling under uncertainty in areas such as the agentic AI workflows, microservice based applications that the modern AI systems are being built upon.
Authors: Manik Sheokand, Parth Sawant
Abstract: Large Language Models (LLMs) have achieved remarkable success in code generation tasks, powering various applications like code completion, debugging, and programming assistance. However, existing benchmarks such as HumanEval, MBPP, and BigCodeBench primarily evaluate LLMs on English-only prompts, overlooking the real-world scenario where multilingual developers often use code-mixed language while interacting with LLMs. To address this gap, we introduce CodeMixBench, a novel benchmark designed to evaluate the robustness of LLMs on code generation from code-mixed prompts. Built upon BigCodeBench, CodeMixBench introduces controlled code-mixing (CMD) into the natural language parts of prompts across three language pairs: Hinglish (Hindi-English), Spanish-English, and Chinese Pinyin-English. We comprehensively evaluate a diverse set of open-source code generation models ranging from 1.5B to 15B parameters. Our results show that code-mixed prompts consistently degrade Pass@1 performance compared to their English-only counterparts, with performance drops increasing under higher CMD levels for smaller models. CodeMixBench provides a realistic evaluation framework for studying multilingual code generation and highlights new challenges and directions for building robust code generation models that generalize well across diverse linguistic settings.
Authors: Xinyang Lu, Xinyuan Niu, Gregory Kang Ruey Lau, Bui Thi Cam Nhung, Rachael Hwee Ling Sim, Fanyu Wen, Chuan-Sheng Foo, See-Kiong Ng, Bryan Kian Hsiang Low
Abstract: Large language model (LLM) unlearning is critical in real-world applications where it is necessary to efficiently remove the influence of private, copyrighted, or harmful data from some users. However, existing utility-centric unlearning metrics (based on model utility) may fail to accurately evaluate the extent of unlearning in realistic settings such as when (a) the forget and retain set have semantically similar content, (b) retraining the model from scratch on the retain set is impractical, and/or (c) the model owner can improve the unlearning metric without directly performing unlearning on the LLM. This paper presents the first data-centric unlearning metric for LLMs called WaterDrum that exploits robust text watermarking for overcoming these limitations. We also introduce new benchmark datasets for LLM unlearning that contain varying levels of similar data points and can be used to rigorously evaluate unlearning algorithms using WaterDrum. Our code is available at https://github.com/lululu008/WaterDrum and our new benchmark datasets are released at https://huggingface.co/datasets/Glow-AI/WaterDrum-Ax.
URLs: https://github.com/lululu008/WaterDrum, https://huggingface.co/datasets/Glow-AI/WaterDrum-Ax.
Authors: Sagnik Bhattacharya, Abhiram R. Gorle, Ahmed Mohsin, Ahsan Bilal, Connor Ding, Amit Kumar Singh Yadav, Tsachy Weissman
Abstract: Existing methods for generative modeling of discrete data, such as symbolic music tokens, face two primary challenges: (1) they either embed discrete inputs into continuous state-spaces or (2) rely on variational losses that only approximate the true negative log-likelihood. Previous efforts have individually targeted these limitations. While information-theoretic Gaussian diffusion models alleviate the suboptimality of variational losses, they still perform modeling in continuous domains. In this work, we introduce the Information-Theoretic Discrete Poisson Diffusion Model (ItDPDM), which simultaneously addresses both limitations by directly operating in a discrete state-space via a Poisson diffusion process inspired by photon arrival processes in camera sensors. We introduce a novel Poisson Reconstruction Loss (PRL) and derive an exact relationship between PRL and the true negative log-likelihood, thereby eliminating the need for approximate evidence lower bounds. Experiments conducted on the Lakh MIDI symbolic music dataset and the CIFAR-10 image benchmark demonstrate that ItDPDM delivers significant improvements, reducing test NLL by up to 80% compared to prior baselines, while also achieving faster convergence.
Authors: Le-Trung Nguyen, Ael Quelennec, Van-Tam Nguyen, Enzo Tartaglione
Abstract: On-device learning has emerged as a promising direction for AI development, particularly because of its potential to reduce latency issues and mitigate privacy risks associated with device-server communication, while improving energy efficiency. Despite these advantages, significant memory and computational constraints still represent major challenges for its deployment. Drawing on previous studies on low-rank decomposition methods that address activation memory bottlenecks in backpropagation, we propose a novel shortcut approach as an alternative. Our analysis and experiments demonstrate that our method can reduce activation memory usage, even up to $120.09\times$ compared to vanilla training, while also reducing overall training FLOPs up to $1.86\times$ when evaluated on traditional benchmarks.
Authors: Leming Zhou, Zuo Wang, Zhixuan Duan
Abstract: The comorbidities of hypertension impose a heavy burden on patients and society. Early identification is necessary to prompt intervention, but it remains a challenging task. This study aims to address this challenge by combining joint graph learning with network analysis. Motivated by this discovery, we develop a Conjoint Graph Representation Learning (CGRL) framework that: a) constructs two networks based on disease coding, including the patient network and the disease difference network. Three comorbidity network features were generated based on the basic difference network to capture the potential relationship between comorbidities and risk diseases; b) incorporates computational structure intervention and learning feature representation, CGRL was developed to predict the risks of diabetes and coronary heart disease in patients; and c) analysis the comorbidity patterns and exploring the pathways of disease progression, the pathological pathogenesis of diabetes and coronary heart disease may be revealed. The results show that the network features extracted based on the difference network are important, and the framework we proposed provides more accurate predictions than other strong models in terms of accuracy.
Authors: Alireza Javani, Zhiying Wang
Abstract: Federated Learning (FL) offers a decentralized framework that preserves data privacy while enabling collaborative model training across distributed clients. However, FL faces significant challenges due to limited communication resources, statistical heterogeneity, and the need for balanced client participation. This paper proposes an Age of Information (AoI)-based client selection policy that addresses these challenges by minimizing load imbalance through controlled selection intervals. Our method employs a decentralized Markov scheduling policy, allowing clients to independently manage participation based on age-dependent selection probabilities, which balances client updates across training rounds with minimal central oversight. We provide a convergence proof for our method, demonstrating that it ensures stable and efficient model convergence. Specifically, we derive optimal parameters for the Markov selection model to achieve balanced and consistent client participation, highlighting the benefits of AoI in enhancing convergence stability. Through extensive simulations, we demonstrate that our AoI-based method, particularly the optimal Markov variant, improves convergence over the FedAvg selection approach across both IID and non-IID data settings by $7.5\%$ and up to $20\%$. Our findings underscore the effectiveness of AoI-based scheduling for scalable, fair, and efficient FL systems across diverse learning environments.
Authors: Chuanbo Hua, Federico Berto, Zhikai Zhao, Jiwoo Son, Changhyun Kwon, Jinkyoo Park
Abstract: The Profiled Vehicle Routing Problem (PVRP) extends the classical VRP by incorporating vehicle-client-specific preferences and constraints, reflecting real-world requirements such as zone restrictions and service-level preferences. While recent reinforcement learning (RL) solvers have shown promise, they require retraining for each new profile distribution, suffer from poor representation ability, and struggle to generalize to out-of-distribution instances. In this paper, we address these limitations by introducing USPR (Unified Solver for Profiled Routing), a novel framework that natively handles arbitrary profile types. USPR introduces three key innovations: (i) Profile Embeddings (PE) to encode any combination of profile types; (ii) Multi-Head Profiled Attention (MHPA), an attention mechanism that models rich interactions between vehicles and clients; (iii) Profile-aware Score Reshaping (PSR), which dynamically adjusts decoder logits using profile scores to improve generalization. Empirical results on diverse PVRP benchmarks demonstrate that USPR achieves state-of-the-art results among learning-based methods while offering significant gains in flexibility and computational efficiency. We make our source code publicly available to foster future research at https://github.com/ai4co/uspr.
Authors: Xuyang Chen, Keyu Yan, Lin Zhao
Abstract: Offline reinforcement learning (RL) aims to learn decision-making policies from fixed datasets without online interactions, providing a practical solution where online data collection is expensive or risky. However, offline RL often suffers from distribution shift, resulting in inaccurate evaluation and substantial overestimation on out-of-distribution (OOD) actions. To address this, existing approaches incorporate conservatism by indiscriminately discouraging all OOD actions, thereby hindering the agent's ability to generalize and exploit beneficial ones. In this paper, we propose Advantage-based Diffusion Actor-Critic (ADAC), a novel method that systematically evaluates OOD actions using the batch-optimal value function. Based on this evaluation, ADAC defines an advantage function to modulate the Q-function update, enabling more precise assessment of OOD action quality. We design a custom PointMaze environment and collect datasets to visually reveal that advantage modulation can effectively identify and select superior OOD actions. Extensive experiments show that ADAC achieves state-of-the-art performance on almost all tasks in the D4RL benchmark, with particularly clear margins on the more challenging tasks.
Authors: Yi Chen
Abstract: Anomaly detection is a fundamental task in machine learning and data mining, with significant applications in cybersecurity, industrial fault diagnosis, and clinical disease monitoring. Traditional methods, such as statistical modeling and machine learning-based approaches, often face challenges in handling complex, high-dimensional data distributions. In this study, we explore the potential of diffusion models for anomaly detection, proposing a novel framework that leverages the strengths of diffusion probabilistic models (DPMs) to effectively identify anomalies in both image and audio data. The proposed method models the distribution of normal data through a diffusion process and reconstructs input data via reverse diffusion, using a combination of reconstruction errors and semantic discrepancies as anomaly indicators. To enhance the framework's performance, we introduce multi-scale feature extraction, attention mechanisms, and wavelet-domain representations, enabling the model to capture fine-grained structures and global dependencies in the data. Extensive experiments on benchmark datasets, including MVTec AD and UrbanSound8K, demonstrate that our method outperforms state-of-the-art anomaly detection techniques, achieving superior accuracy and robustness across diverse data modalities. This research highlights the effectiveness of diffusion models in anomaly detection and provides a robust and efficient solution for real-world applications.
Authors: Mohammed Adnan, Rohan Jain, Ekansh Sharma, Rahul Krishnan, Yani Ioannou
Abstract: The Lottery Ticket Hypothesis (LTH) suggests there exists a sparse LTH mask and weights that achieve the same generalization performance as the dense model while using significantly fewer parameters. However, finding a LTH solution is computationally expensive, and a LTH sparsity mask does not generalize to other random weight initializations. Recent work has suggested that neural networks trained from random initialization find solutions within the same basin modulo permutation, and proposes a method to align trained models within the same loss basin. We hypothesize that misalignment of basins is the reason why LTH masks do not generalize to new random initializations and propose permuting the LTH mask to align with the new optimization basin when performing sparse training from a different random init. We empirically show a significant increase in generalization when sparse training from random initialization with the permuted mask as compared to using the non-permuted LTH mask, on multiple datasets (CIFAR-10, CIFAR-100 and ImageNet) and models (VGG11, ResNet20 and ResNet50).
Authors: Xinyan Hu, Kayo Yin, Michael I. Jordan, Jacob Steinhardt, Lijie Chen
Abstract: To perform in-context learning, language models must extract signals from individual few-shot examples, aggregate these into a learned prediction rule, and then apply this rule to new examples. How is this implemented in the forward pass of modern transformer models? To study this, we consider a structured family of few-shot learning tasks for which the true prediction rule is to add an integer $k$ to the input. We find that Llama-3-8B attains high accuracy on this task for a range of $k$, and localize its few-shot ability to just three attention heads via a novel optimization approach. We further show the extracted signals lie in a six-dimensional subspace, where four of the dimensions track the unit digit and the other two dimensions track overall magnitude. We finally examine how these heads extract information from individual few-shot examples, identifying a self-correction mechanism in which mistakes from earlier examples are suppressed by later examples. Our results demonstrate how tracking low-dimensional subspaces across a forward pass can provide insight into fine-grained computational structures.
Authors: Zhihao Zeng, Ziquan Fang, Wei Shao, Lu Chen, Yunjun Gao
Abstract: Trajectory data, which capture the movement patterns of people and vehicles over time and space, are crucial for applications like traffic optimization and urban planning. However, issues such as noise and incompleteness often compromise data quality, leading to inaccurate trajectory analyses and limiting the potential of these applications. While Trajectory Data Preparation (TDP) can enhance data quality, existing methods suffer from two key limitations: (i) they do not address data privacy concerns, particularly in federated settings where trajectory data sharing is prohibited, and (ii) they typically design task-specific models that lack generalizability across diverse TDP scenarios. To overcome these challenges, we propose FedTDP, a privacy-preserving and unified framework that leverages the capabilities of Large Language Models (LLMs) for TDP in federated environments. Specifically, we: (i) design a trajectory privacy autoencoder to secure data transmission and protect privacy, (ii) introduce a trajectory knowledge enhancer to improve model learning of TDP-related knowledge, enabling the development of TDP-oriented LLMs, and (iii) propose federated parallel optimization to enhance training efficiency by reducing data transmission and enabling parallel model training. Experiments on 6 real datasets and 10 mainstream TDP tasks demonstrate that FedTDP consistently outperforms 13 state-of-the-art baselines.
Authors: Tsubasa Harada, Shinji Ito, Hanna Sumita
Abstract: In this paper, we study a new decision-making problem called the bandit max-min fair allocation (BMMFA) problem. The goal of this problem is to maximize the minimum utility among agents with additive valuations by repeatedly assigning indivisible goods to them. One key feature of this problem is that each agent's valuation for each item can only be observed through the semi-bandit feedback, while existing work supposes that the item values are provided at the beginning of each round. Another key feature is that the algorithm's reward function is not additive with respect to rounds, unlike most bandit-setting problems. Our first contribution is to propose an algorithm that has an asymptotic regret bound of $O(m\sqrt{T}\ln T/n + m\sqrt{T \ln(mnT)})$, where $n$ is the number of agents, $m$ is the number of items, and $T$ is the time horizon. This is based on a novel combination of bandit techniques and a resource allocation algorithm studied in the literature on competitive analysis. Our second contribution is to provide the regret lower bound of $\Omega(m\sqrt{T}/n)$. When $T$ is sufficiently larger than $n$, the gap between the upper and lower bounds is a logarithmic factor of $T$.
Authors: Cong Hua, Qianqian Xu, Zhiyong Yang, Zitai Wang, Shilong Bao, Qingming Huang
Abstract: Prompt tuning adapts Vision-Language Models like CLIP to open-world tasks with minimal training costs. In this direction, one typical paradigm evaluates model performance separately on known classes (i.e., base domain) and unseen classes (i.e., new domain). However, real-world scenarios require models to handle inputs without prior domain knowledge. This practical challenge has spurred the development of open-world prompt tuning, which demands a unified evaluation of two stages: 1) detecting whether an input belongs to the base or new domain (P1), and 2) classifying the sample into its correct class (P2). What's more, as domain distributions are generally unknown, a proper metric should be insensitive to varying base/new sample ratios (P3). However, we find that current metrics, including HM, overall accuracy, and AUROC, fail to satisfy these three properties simultaneously. To bridge this gap, we propose OpenworldAUC, a unified metric that jointly assesses detection and classification through pairwise instance comparisons. To optimize OpenworldAUC effectively, we introduce Gated Mixture-of-Prompts (GMoP), which employs domain-specific prompts and a gating mechanism to dynamically balance detection and classification. Theoretical guarantees ensure generalization of GMoP under practical conditions. Experiments on 15 benchmarks in open-world scenarios show GMoP achieves SOTA performance on OpenworldAUC and other metrics. We release the code at https://github.com/huacong/OpenworldAUC
Authors: Bojian Yin, Federico Corradi
Abstract: Backpropagation (BP) is the cornerstone of deep learning, but its reliance on global gradient synchronization limits scalability and imposes significant memory overhead. We propose Stochastic Variational Propagation (SVP), a scalable alternative that reframes training as hierarchical variational inference. SVP treats layer activations as latent variables and optimizes local Evidence Lower Bounds (ELBOs), enabling independent, local updates while preserving global coherence. However, directly applying KL divergence in layer-wise ELBOs risks inter-layer's representation collapse due to excessive compression. To prevent this, SVP projects activations into low-dimensional spaces via fixed random matrices, ensuring information preservation and representational diversity. Combined with a feature alignment loss for inter-layer consistency, SVP achieves competitive accuracy with BP across diverse architectures (MLPs, CNNs, Transformers) and datasets (MNIST to ImageNet), reduces memory usage by up to 4x, and significantly improves scalability. More broadly, SVP introduces a probabilistic perspective to deep representation learning, opening pathways toward more modular and interpretable neural network design.
Authors: Yixin Cheng, Hongcheng Guo, Yangming Li, Leonid Sigal
Abstract: Text watermarking aims to subtly embed statistical signals into text by controlling the Large Language Model (LLM)'s sampling process, enabling watermark detectors to verify that the output was generated by the specified model. The robustness of these watermarking algorithms has become a key factor in evaluating their effectiveness. Current text watermarking algorithms embed watermarks in high-entropy tokens to ensure text quality. In this paper, we reveal that this seemingly benign design can be exploited by attackers, posing a significant risk to the robustness of the watermark. We introduce a generic efficient paraphrasing attack, the Self-Information Rewrite Attack (SIRA), which leverages the vulnerability by calculating the self-information of each token to identify potential pattern tokens and perform targeted attack. Our work exposes a widely prevalent vulnerability in current watermarking algorithms. The experimental results show SIRA achieves nearly 100% attack success rates on seven recent watermarking methods with only 0.88 USD per million tokens cost. Our approach does not require any access to the watermark algorithms or the watermarked LLM and can seamlessly transfer to any LLM as the attack model, even mobile-level models. Our findings highlight the urgent need for more robust watermarking.
Authors: Ruichu Cai, Junjie Wan, Weilin Chen, Zeqin Yang, Zijian Li, Peng Zhen, Jiecheng Guo
Abstract: Estimating long-term causal effects by combining long-term observational and short-term experimental data is a crucial but challenging problem in many real-world scenarios. In existing methods, several ideal assumptions, e.g. latent unconfoundedness assumption or additive equi-confounding bias assumption, are proposed to address the latent confounder problem raised by the observational data. However, in real-world applications, these assumptions are typically violated which limits their practical effectiveness. In this paper, we tackle the problem of estimating the long-term individual causal effects without the aforementioned assumptions. Specifically, we propose to utilize the natural heterogeneity of data, such as data from multiple sources, to identify latent confounders, thereby significantly avoiding reliance on idealized assumptions. Practically, we devise a latent representation learning-based estimator of long-term causal effects. Theoretically, we establish the identifiability of latent confounders, with which we further achieve long-term effect identification. Extensive experimental studies, conducted on multiple synthetic and semi-synthetic datasets, demonstrate the effectiveness of our proposed method.
Authors: Xinyue Xu, Yueying Hu, Hui Tang, Yi Qin, Lu Mi, Hao Wang, Xiaomeng Li
Abstract: Concept Bottleneck Models (CBMs) enhance interpretability by explaining predictions through human-understandable concepts but typically assume that training and test data share the same distribution. This assumption often fails under domain shifts, leading to degraded performance and poor generalization. To address these limitations and improve the robustness of CBMs, we propose the Concept-based Unsupervised Domain Adaptation (CUDA) framework. CUDA is designed to: (1) align concept representations across domains using adversarial training, (2) introduce a relaxation threshold to allow minor domain-specific differences in concept distributions, thereby preventing performance drop due to over-constraints of these distributions, (3) infer concepts directly in the target domain without requiring labeled concept data, enabling CBMs to adapt to diverse domains, and (4) integrate concept learning into conventional domain adaptation (DA) with theoretical guarantees, improving interpretability and establishing new benchmarks for DA. Experiments demonstrate that our approach significantly outperforms the state-of-the-art CBM and DA methods on real-world datasets.
Authors: Charbel Bou Chaaya, Mehdi Bennis
Abstract: In this work, we consider the radio resource allocation problem in a wireless system with various integrated functionalities, such as communication, sensing and computing. We design suitable resource management techniques that can simultaneously cater to those heterogeneous requirements, and scale appropriately with the high-dimensional and discrete nature of the problem. We propose a novel active learning framework where resource allocation patterns are drawn sequentially, evaluated in the environment, and then used to iteratively update a surrogate model of the environment. Our method leverages a generative flow network (GFlowNet) to sample favorable solutions, as such models are trained to generate compositional objects proportionally to their training reward, hence providing an appropriate coverage of its modes. As such, GFlowNet generates diverse and high return resource management designs that update the surrogate model and swiftly discover suitable solutions. We provide simulation results showing that our method can allocate radio resources achieving 20% performance gains against benchmarks, while requiring less than half of the number of acquisition rounds.
Authors: Amir Rezaei Balef, Claire Vernade, Katharina Eggensperger
Abstract: The Combined Algorithm Selection and Hyperparameter optimization (CASH) is a challenging resource allocation problem in the field of AutoML. We propose MaxUCB, a max $k$-armed bandit method to trade off exploring different model classes and conducting hyperparameter optimization. MaxUCB is specifically designed for the light-tailed and bounded reward distributions arising in this setting and, thus, provides an efficient alternative compared to classic max $k$-armed bandit methods assuming heavy-tailed reward distributions. We theoretically and empirically evaluate our method on four standard AutoML benchmarks, demonstrating superior performance over prior approaches.
Authors: Ruxue Shi, Hengrui Gu, Hangting Ye, Yiwei Dai, Xu Shen, Xin Wang
Abstract: Few-shot tabular learning, in which machine learning models are trained with a limited amount of labeled data, provides a cost-effective approach to addressing real-world challenges. The advent of Large Language Models (LLMs) has sparked interest in leveraging their pre-trained knowledge for few-shot tabular learning. Despite promising results, existing approaches either rely on test-time knowledge extraction, which introduces undesirable latency, or text-level knowledge, which leads to unreliable feature engineering. To overcome these limitations, we propose Latte, a training-time knowledge extraction framework that transfers the latent prior knowledge within LLMs to optimize a more generalized downstream model. Latte enables general knowledge-guided downstream tabular learning, facilitating the weighted fusion of information across different feature values while reducing the risk of overfitting to limited labeled data. Furthermore, Latte is compatible with existing unsupervised pre-training paradigms and effectively utilizes available unlabeled samples to overcome the performance limitations imposed by an extremely small labeled dataset. Extensive experiments on various few-shot tabular learning benchmarks demonstrate the superior performance of Latte, establishing it as a state-of-the-art approach in this domain
Authors: Hechuan Wen, Tong Chen, Mingming Gong, Li Kheng Chai, Shazia Sadiq, Hongzhi Yin
Abstract: Although numerous complex algorithms for treatment effect estimation have been developed in recent years, their effectiveness remains limited when handling insufficiently labeled training sets due to the high cost of labeling the effect after treatment, e.g., expensive tumor imaging or biopsy procedures needed to evaluate treatment effects. Therefore, it becomes essential to actively incorporate more high-quality labeled data, all while adhering to a constrained labeling budget. To enable data-efficient treatment effect estimation, we formalize the problem through rigorous theoretical analysis within the active learning context, where the derived key measures -- \textit{factual} and \textit{counterfactual covering radius} determine the risk upper bound. To reduce the bound, we propose a greedy radius reduction algorithm, which excels under an idealized, balanced data distribution. To generalize to more realistic data distributions, we further propose FCCM, which transforms the optimization objective into the \textit{Factual} and \textit{Counterfactual Coverage Maximization} to ensure effective radius reduction during data acquisition. Furthermore, benchmarking FCCM against other baselines demonstrates its superiority across both fully synthetic and semi-synthetic datasets.
Authors: Andreas Kontogiannis, Konstantinos Papathanasiou, Yi Shen, Giorgos Stamou, Michael M. Zavlanos, George Vouros
Abstract: Learning to cooperate in distributed partially observable environments with no communication abilities poses significant challenges for multi-agent deep reinforcement learning (MARL). This paper addresses key concerns in this domain, focusing on inferring state representations from individual agent observations and leveraging these representations to enhance agents' exploration and collaborative task execution policies. To this end, we propose a novel state modelling framework for cooperative MARL, where agents infer meaningful belief representations of the non-observable state, with respect to optimizing their own policies, while filtering redundant and less informative joint state information. Building upon this framework, we propose the MARL SMPE algorithm. In SMPE, agents enhance their own policy's discriminative abilities under partial observability, explicitly by incorporating their beliefs into the policy network, and implicitly by adopting an adversarial type of exploration policies which encourages agents to discover novel, high-value states while improving the discriminative abilities of others. Experimentally, we show that SMPE outperforms state-of-the-art MARL algorithms in complex fully cooperative tasks from the MPE, LBF, and RWARE benchmarks.
Authors: Yi Yu, Song Xia, Siyuan Yang, Chenqi Kong, Wenhan Yang, Shijian Lu, Yap-Peng Tan, Alex C. Kot
Abstract: Most existing unlearnable strategies focus on preventing unauthorized users from training single-task learning (STL) models with personal data. Nevertheless, the paradigm has recently shifted towards multi-task data and multi-task learning (MTL), targeting generalist and foundation models that can handle multiple tasks simultaneously. Despite their growing importance, MTL data and models have been largely neglected while pursuing unlearnable strategies. This paper presents MTL-UE, the first unified framework for generating unlearnable examples for multi-task data and MTL models. Instead of optimizing perturbations for each sample, we design a generator-based structure that introduces label priors and class-wise feature embeddings which leads to much better attacking performance. In addition, MTL-UE incorporates intra-task and inter-task embedding regularization to increase inter-class separation and suppress intra-class variance which enhances the attack robustness greatly. Furthermore, MTL-UE is versatile with good supports for dense prediction tasks in MTL. It is also plug-and-play allowing integrating existing surrogate-dependent unlearnable methods with little adaptation. Extensive experiments show that MTL-UE achieves superior attacking performance consistently across 4 MTL datasets, 3 base UE methods, 5 model backbones, and 5 MTL task-weighting strategies.
Authors: Juhani Kivim\"aki, Jakub Bia{\l}ek, Wojtek Kuberski, Jukka K. Nurminen
Abstract: Model monitoring is a critical component of the machine learning lifecycle, safeguarding against undetected drops in the model's performance after deployment. Traditionally, performance monitoring has required access to ground truth labels, which are not always readily available. This can result in unacceptable latency or render performance monitoring altogether impossible. Recently, methods designed to estimate the accuracy of classifier models without access to labels have shown promising results. However, there are various other metrics that might be more suitable for assessing model performance in many cases. Until now, none of these important metrics has received similar interest from the scientific community. In this work, we address this gap by presenting CBPE, a novel method that can estimate any binary classification metric defined using the confusion matrix. In particular, we choose four metrics from this large family: accuracy, precision, recall, and F$_1$, to demonstrate our method. CBPE treats the elements of the confusion matrix as random variables and leverages calibrated confidence scores of the model to estimate their distributions. The desired metric is then also treated as a random variable, whose full probability distribution can be derived from the estimated confusion matrix. CBPE is shown to produce estimates that come with strong theoretical guarantees and valid confidence intervals.
Authors: Yuhui Xu, Hanze Dong, Lei Wang, Doyen Sahoo, Junnan Li, Caiming Xiong
Abstract: Large reasoning models (LRMs) have achieved remarkable progress on complex tasks by generating extended chains of thought (CoT). However, their uncontrolled output lengths pose significant challenges for real-world deployment, where inference-time budgets on tokens, latency, or compute are strictly constrained. We propose Elastic Reasoning, a novel framework for scalable chain of thoughts that explicitly separates reasoning into two phases--thinking and solution--with independently allocated budgets. At test time, Elastic Reasoning prioritize that completeness of solution segments, significantly improving reliability under tight resource constraints. To train models that are robust to truncated thinking, we introduce a lightweight budget-constrained rollout strategy, integrated into GRPO, which teaches the model to reason adaptively when the thinking process is cut short and generalizes effectively to unseen budget constraints without additional training. Empirical results on mathematical (AIME, MATH500) and programming (LiveCodeBench, Codeforces) benchmarks demonstrate that Elastic Reasoning performs robustly under strict budget constraints, while incurring significantly lower training cost than baseline methods. Remarkably, our approach also produces more concise and efficient reasoning even in unconstrained settings. Elastic Reasoning offers a principled and practical solution to the pressing challenge of controllable reasoning at scale.
Authors: Robert Busa-Fekete, Travis Dick, Claudio Gentile, Haim Kaplan, Tomer Koren, Uri Stemmer
Abstract: We investigate Learning from Label Proportions (LLP), a partial information setting where examples in a training set are grouped into bags, and only aggregate label values in each bag are available. Despite the partial observability, the goal is still to achieve small regret at the level of individual examples. We give results on the sample complexity of LLP under square loss, showing that our sample complexity is essentially optimal. From an algorithmic viewpoint, we rely on carefully designed variants of Empirical Risk Minimization, and Stochastic Gradient Descent algorithms, combined with ad hoc variance reduction techniques. On one hand, our theoretical results improve in important ways on the existing literature on LLP, specifically in the way the sample complexity depends on the bag size. On the other hand, we validate our algorithmic solutions on several datasets, demonstrating improved empirical performance (better accuracy for less samples) against recent baselines.
Authors: Kazi Ashik Islam, Zakaria Mehrab, Mahantesh Halappanavar, Henning Mortveit, Sridhar Katragadda, Jon Derek Loftis, Madhav Marathe
Abstract: Coastal flooding poses significant risks to communities, necessitating fast and accurate forecasting methods to mitigate potential damage. To approach this problem, we present DIFF-FLOOD, a probabilistic spatiotemporal forecasting method designed based on denoising diffusion models. DIFF-FLOOD predicts inundation level at a location by taking both spatial and temporal context into account. It utilizes inundation levels at neighboring locations and digital elevation data as spatial context. Inundation history from a context time window, together with additional co-variates are used as temporal context. Convolutional neural networks and cross-attention mechanism are then employed to capture the spatiotemporal dynamics in the data. We trained and tested DIFF-FLOOD on coastal inundation data from the Eastern Shore of Virginia, a region highly impacted by coastal flooding. Our results show that, DIFF-FLOOD outperforms existing forecasting methods in terms of prediction performance (6% to 64% improvement in terms of two performance metrics) and scalability.
Authors: Andrew D. Laack
Abstract: Oblique decision trees have attracted attention due to their potential for improved classification performance over traditional axis-aligned decision trees. However, methods that rely on exhaustive search to find oblique splits face computational challenges. As a result, they have not been widely explored. We introduce a novel algorithm, Classification and Regression Tree - Exhaustive Linear Combinations (CART-ELC), for inducing oblique decision trees that performs an exhaustive search on a restricted set of hyperplanes. We then investigate the algorithm's computational complexity and its predictive capabilities. Our results demonstrate that CART-ELC consistently achieves competitive performance on small datasets, often yielding statistically significant improvements in classification accuracy relative to existing decision tree induction algorithms, while frequently producing shallower, simpler, and thus more interpretable trees.
Authors: Marvin F. da Silva, Felix Dangel, Sageev Oore
Abstract: The concept of sharpness has been successfully applied to traditional architectures like MLPs and CNNs to predict their generalization. For transformers, however, recent work reported weak correlation between flatness and generalization. We argue that existing sharpness measures fail for transformers, because they have much richer symmetries in their attention mechanism that induce directions in parameter space along which the network or its loss remain identical. We posit that sharpness must account fully for these symmetries, and thus we redefine it on a quotient manifold that results from quotienting out the transformer symmetries, thereby removing their ambiguities. Leveraging tools from Riemannian geometry, we propose a fully general notion of sharpness, in terms of a geodesic ball on the symmetry-corrected quotient manifold. In practice, we need to resort to approximating the geodesics. Doing so up to first order yields existing adaptive sharpness measures, and we demonstrate that including higher-order terms is crucial to recover correlation with generalization. We present results on diagonal networks with synthetic data, and show that our geodesic sharpness reveals strong correlation for real-world transformers on both text and image classification tasks.
Authors: Nilesh Prasad Pandey, Shriniwas Kulkarni, David Wang, Onat Gungor, Flavio Ponzina, Tajana Rosing
Abstract: Hyperdimensional Computing (HDC) is emerging as a promising approach for edge AI, offering a balance between accuracy and efficiency. However, current HDC-based applications often rely on high-precision models and/or encoding matrices to achieve competitive performance, which imposes significant computational and memory demands, especially for ultra-low power devices. While recent efforts use techniques like precision reduction and pruning to increase the efficiency, most require retraining to maintain performance, making them expensive and impractical. To address this issue, we propose a novel Post Training Compression algorithm, Decomposition-Pruning-Quantization (DPQ-HD), which aims at compressing the end-to-end HDC system, achieving near floating point performance without the need of retraining. DPQ-HD reduces computational and memory overhead by uniquely combining the above three compression techniques and efficiently adapts to hardware constraints. Additionally, we introduce an energy-efficient inference approach that progressively evaluates similarity scores such as cosine similarity and performs early exit to reduce the computation, accelerating prediction inference while maintaining accuracy. We demonstrate that DPQ-HD achieves up to 20-100x reduction in memory for image and graph classification tasks with only a 1-2% drop in accuracy compared to uncompressed workloads. Lastly, we show that DPQ-HD outperforms the existing post-training compression methods and performs better or at par with retraining-based state-of-the-art techniques, requiring significantly less overall optimization time (up to 100x) and faster inference (up to 56x) on a microcontroller
Authors: Pouria Behnoudfar, Nan Chen
Abstract: Machine learning has become a powerful tool for enhancing data assimilation. While supervised learning remains the standard method, reinforcement learning (RL) offers unique advantages through its sequential decision-making framework, which naturally fits the iterative nature of data assimilation by dynamically balancing model forecasts with observations. We develop RL-DAUNCE, a new RL-based method that enhances data assimilation with physical constraints through three key aspects. First, RL-DAUNCE inherits the computational efficiency of machine learning while it uniquely structures its agents to mirror ensemble members in conventional data assimilation methods. Second, RL-DAUNCE emphasizes uncertainty quantification by advancing multiple ensemble members, moving beyond simple mean-state optimization. Third, RL-DAUNCE's ensemble-as-agents design facilitates the enforcement of physical constraints during the assimilation process, which is crucial to improving the state estimation and subsequent forecasting. A primal-dual optimization strategy is developed to enforce constraints, which dynamically penalizes the reward function to ensure constraint satisfaction throughout the learning process. Also, state variable bounds are respected by constraining the RL action space. Together, these features ensure physical consistency without sacrificing efficiency. RL-DAUNCE is applied to the Madden-Julian Oscillation, an intermittent atmospheric phenomenon characterized by strongly non-Gaussian features and multiple physical constraints. RL-DAUNCE outperforms the standard ensemble Kalman filter (EnKF), which fails catastrophically due to the violation of physical constraints. Notably, RL-DAUNCE matches the performance of constrained EnKF, particularly in recovering intermittent signals, capturing extreme events, and quantifying uncertainties, while requiring substantially less computational effort.
Authors: Claudius Krause, Daohan Wang, Ramon Winterhalder
Abstract: The increasing complexity of modern neural network architectures demands fast and memory-efficient implementations to mitigate computational bottlenecks. In this work, we evaluate the recently proposed BitNet architecture in HEP applications, assessing its performance in classification, regression, and generative modeling tasks. Specifically, we investigate its suitability for quark-gluon discrimination, SMEFT parameter estimation, and detector simulation, comparing its efficiency and accuracy to state-of-the-art methods. Our results show that while BitNet consistently performs competitively in classification tasks, its performance in regression and generation varies with the size and type of the network, highlighting key limitations and potential areas for improvement.
Authors: Joshua W. Betts, John M. Still, Thomas A. Lasko
Abstract: Migraine is a common but complex neurological disorder that doubles the lifetime risk of cryptogenic stroke (CS). However, this relationship remains poorly characterized, and few clinical guidelines exist to reduce this associated risk. We therefore propose a data-driven approach to extract probabilistically-independent sources from electronic health record (EHR) data and create a 10-year risk-predictive model for CS in migraine patients. These sources represent external latent variables acting on the causal graph constructed from the EHR data and approximate root causes of CS in our population. A random forest model trained on patient expressions of these sources demonstrated good accuracy (ROC 0.771) and identified the top 10 most predictive sources of CS in migraine patients. These sources revealed that pharmacologic interventions were the most important factor in minimizing CS risk in our population and identified a factor related to allergic rhinitis as a potential causative source of CS in migraine patients.
Authors: Hannes Waldetoft, Jakob Torgander, M{\aa}ns Magnusson
Abstract: Estimating population parameters in finite populations of text documents can be challenging when obtaining the labels for the target variable requires manual annotation. To address this problem, we combine predictions from a transformer encoder neural network with well-established survey sampling estimators using the model predictions as an auxiliary variable. The applicability is demonstrated in Swedish hate crime statistics based on Swedish police reports. Estimates of the yearly number of hate crimes and the police's under-reporting are derived using the Hansen-Hurwitz estimator, difference estimation, and stratified random sampling estimation. We conclude that if labeled training data is available, the proposed method can provide very efficient estimates with reduced time spent on manual annotation.
Authors: Tejas Jade, Alex Yartsev
Abstract: Standardised tests using short answer questions (SAQs) are common in postgraduate education. Large language models (LLMs) simulate conversational language and interpret unstructured free-text responses in ways aligning with applying SAQ grading rubrics, making them attractive for automated grading. We evaluated ChatGPT 4o to grade SAQs in a postgraduate medical setting using data from 215 students (557 short-answer responses) enrolled in an online course on mechanical ventilation (2020--2024). Deidentified responses to three case-based scenarios were presented to ChatGPT with a standardised grading prompt and rubric. Outputs were analysed using mixed-effects modelling, variance component analysis, intraclass correlation coefficients (ICCs), Cohen's kappa, Kendall's W, and Bland--Altman statistics. ChatGPT awarded systematically lower marks than human graders with a mean difference (bias) of -1.34 on a 10-point scale. ICC values indicated poor individual-level agreement (ICC1 = 0.086), and Cohen's kappa (-0.0786) suggested no meaningful agreement. Variance component analysis showed minimal variability among the five ChatGPT sessions (G-value = 0.87), indicating internal consistency but divergence from the human grader. The poorest agreement was observed for evaluative and analytic items, whereas checklist and prescriptive rubric items had less disagreement. We caution against the use of LLMs in grading postgraduate coursework. Over 60% of ChatGPT-assigned grades differed from human grades by more than acceptable boundaries for high-stakes assessments.
Authors: Md Rahat-uz- Zaman, Bei Wang, Paul Rosen
Abstract: Deep neural networks (DNNs) achieve state-of-the-art performance in many vision tasks, yet understanding their internal behavior remains challenging, particularly how different layers and activation channels contribute to class separability. We introduce ChannelExplorer, an interactive visual analytics tool for analyzing image-based outputs across model layers, emphasizing data-driven insights over architecture analysis for exploring class separability. ChannelExplorer summarizes activations across layers and visualizes them using three primary coordinated views: a Scatterplot View to reveal inter- and intra-class confusion, a Jaccard Similarity View to quantify activation overlap, and a Heatmap View to inspect activation channel patterns. Our technique supports diverse model architectures, including CNNs, GANs, ResNet and Stable Diffusion models. We demonstrate the capabilities of ChannelExplorer through four use-case scenarios: (1) generating class hierarchy in ImageNet, (2) finding mislabeled images, (3) identifying activation channel contributions, and(4) locating latent states' position in Stable Diffusion model. Finally, we evaluate the tool with expert users.
Authors: Alejandro Giraldo, Daniel Ruiz, Mariano Caruso, Guido Bellomo
Abstract: Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing QSAR techniques through Quantum Support Vector Machines (QSVMs), which leverage quantum computing principles to process information Hilbert spaces. By using quantum data encoding and quantum kernel functions, we aim to develop more accurate and efficient predictive models.
Authors: Kapil Wanaskar, Gaytri Jena, Magdalini Eirinaki
Abstract: This work presents an open-source unified benchmarking and evaluation framework for text-to-image generation models, with a particular focus on the impact of metadata augmented prompts. Leveraging the DeepFashion-MultiModal dataset, we assess generated outputs through a comprehensive set of quantitative metrics, including Weighted Score, CLIP (Contrastive Language Image Pre-training)-based similarity, LPIPS (Learned Perceptual Image Patch Similarity), FID (Frechet Inception Distance), and retrieval-based measures, as well as qualitative analysis. Our results demonstrate that structured metadata enrichments greatly enhance visual realism, semantic fidelity, and model robustness across diverse text-to-image architectures. While not a traditional recommender system, our framework enables task-specific recommendations for model selection and prompt design based on evaluation metrics.
Authors: Adithya Kulkarni, Fatimah Alotaibi, Xinyue Zeng, Longfeng Wu, Tong Zeng, Barry Menglong Yao, Minqian Liu, Shuaicheng Zhang, Lifu Huang, Dawei Zhou
Abstract: Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of LLM-driven approaches, including symbolic frameworks, generative models, hybrid systems, and multi-agent architectures. We examine techniques such as retrieval-augmented generation, knowledge-graph completion, simulation, causal inference, and tool-assisted reasoning, highlighting trade-offs in interpretability, novelty, and domain alignment. We contrast early symbolic discovery systems (e.g., BACON, KEKADA) with modern LLM pipelines that leverage in-context learning and domain adaptation via fine-tuning, retrieval, and symbolic grounding. For validation, we review simulation, human-AI collaboration, causal modeling, and uncertainty quantification, emphasizing iterative assessment in open-world contexts. The survey maps datasets across biomedicine, materials science, environmental science, and social science, introducing new resources like AHTech and CSKG-600. Finally, we outline a roadmap emphasizing novelty-aware generation, multimodal-symbolic integration, human-in-the-loop systems, and ethical safeguards, positioning LLMs as agents for principled, scalable scientific discovery.
Authors: Khaled Saab, Jan Freyberg, Chunjong Park, Tim Strother, Yong Cheng, Wei-Hung Weng, David G. T. Barrett, David Stutz, Nenad Tomasev, Anil Palepu, Valentin Li\'evin, Yash Sharma, Roma Ruparel, Abdullah Ahmed, Elahe Vedadi, Kimberly Kanada, Cian Hughes, Yun Liu, Geoff Brown, Yang Gao, Sean Li, S. Sara Mahdavi, James Manyika, Katherine Chou, Yossi Matias, Avinatan Hassidim, Dale R. Webster, Pushmeet Kohli, S. M. Ali Eslami, Jo\"elle Barral, Adam Rodman, Vivek Natarajan, Mike Schaekermann, Tao Tu, Alan Karthikesalingam, Ryutaro Tanno
Abstract: Large Language Models (LLMs) have demonstrated great potential for conducting diagnostic conversations but evaluation has been largely limited to language-only interactions, deviating from the real-world requirements of remote care delivery. Instant messaging platforms permit clinicians and patients to upload and discuss multimodal medical artifacts seamlessly in medical consultation, but the ability of LLMs to reason over such data while preserving other attributes of competent diagnostic conversation remains unknown. Here we advance the conversational diagnosis and management performance of the Articulate Medical Intelligence Explorer (AMIE) through a new capability to gather and interpret multimodal data, and reason about this precisely during consultations. Leveraging Gemini 2.0 Flash, our system implements a state-aware dialogue framework, where conversation flow is dynamically controlled by intermediate model outputs reflecting patient states and evolving diagnoses. Follow-up questions are strategically directed by uncertainty in such patient states, leading to a more structured multimodal history-taking process that emulates experienced clinicians. We compared AMIE to primary care physicians (PCPs) in a randomized, blinded, OSCE-style study of chat-based consultations with patient actors. We constructed 105 evaluation scenarios using artifacts like smartphone skin photos, ECGs, and PDFs of clinical documents across diverse conditions and demographics. Our rubric assessed multimodal capabilities and other clinically meaningful axes like history-taking, diagnostic accuracy, management reasoning, communication, and empathy. Specialist evaluation showed AMIE to be superior to PCPs on 7/9 multimodal and 29/32 non-multimodal axes (including diagnostic accuracy). The results show clear progress in multimodal conversational diagnostic AI, but real-world translation needs further research.
Authors: Mohammad Aqib, Mohd Hamza, Qipei Mei, Ying Hei Chui
Abstract: Building codes are regulations that establish standards for the design, construction, and safety of buildings to ensure structural integrity, fire protection, and accessibility. They are often extensive, complex, and subject to frequent updates, making manual querying challenging and time-consuming. Key difficulties include navigating large volumes of text, interpreting technical language, and identifying relevant clauses across different sections. A potential solution is to build a Question-Answering (QA) system that answers user queries based on building codes. Among the various methods for building a QA system, Retrieval-Augmented Generation (RAG) stands out in performance. RAG consists of two components: a retriever and a language model. This study focuses on identifying a suitable retriever method for building codes and optimizing the generational capability of the language model using fine-tuning techniques. We conducted a detailed evaluation of various retrieval methods by performing the retrieval on the National Building Code of Canada (NBCC) and explored the impact of domain-specific fine-tuning on several language models using the dataset derived from NBCC. Our analysis included a comparative assessment of different retrievers and the performance of both pre-trained and fine-tuned models to determine the efficacy and domain-specific adaptation of language models using fine-tuning on the NBCC dataset. Experimental results showed that Elasticsearch proved to be the most robust retriever among all. The findings also indicate that fine-tuning language models on an NBCC-specific dataset can enhance their ability to generate contextually relevant responses. When combined with context retrieved by a powerful retriever like Elasticsearch, this improvement in LLM performance can optimize the RAG system, enabling it to better navigate the complexities of the NBCC.
Authors: Yuxin Zhang, Meihao Fan, Ju Fan, Mingyang Yi, Yuyu Luo, Jian Tan, Guoliang Li
Abstract: Recent advances in large language models (LLMs) have significantly improved performance on the Text-to-SQL task by leveraging their powerful reasoning capabilities. To enhance accuracy during the reasoning process, external Process Reward Models (PRMs) can be introduced during training and inference to provide fine-grained supervision. However, if misused, PRMs may distort the reasoning trajectory and lead to suboptimal or incorrect SQL generation.To address this challenge, we propose Reward-SQL, a framework that systematically explores how to incorporate PRMs into the Text-to-SQL reasoning process effectively. Our approach follows a "cold start, then PRM supervision" paradigm. Specifically, we first train the model to decompose SQL queries into structured stepwise reasoning chains using common table expressions (Chain-of-CTEs), establishing a strong and interpretable reasoning baseline. Then, we investigate four strategies for integrating PRMs, and find that combining PRM as an online training signal (GRPO) with PRM-guided inference (e.g., best-of-N sampling) yields the best results. Empirically, on the BIRD benchmark, Reward-SQL enables models supervised by a 7B PRM to achieve a 13.1% performance gain across various guidance strategies. Notably, our GRPO-aligned policy model based on Qwen2.5-Coder-7B-Instruct achieves 68.9% accuracy on the BIRD development set, outperforming all baseline methods under the same model size. These results demonstrate the effectiveness of Reward-SQL in leveraging reward-based supervision for Text-to-SQL reasoning. Our code is publicly available.
Authors: Julien Narboux (University Paris Cit\'e, France), Walther Neuper (Johannes Kepler University Linz, Austria), Pedro Quaresma (University of Coimbra, Portugal)
Abstract: The ThEdu series pursues the smooth transition from an intuitive way of doing mathematics at secondary school to a more formal approach to the subject in STEM education while favoring software support for this transition by exploiting the power of theorem-proving technologies. What follows is a brief description of how the present volume contributes to this enterprise. The 13th International Workshop on Theorem Proving Components for Educational Software (ThEdu'24), was a satellite event of the CADE29, part of IJCAR 2024, Nancy, France. ThEdu'24 was a vibrant workshop, with one invited talk by Jeremy Avigad (Carnegie Mellon University) and 14 submitted talks. An open call for papers was then issued and attracted 9 submissions. Eight of those submissions have been accepted by our reviewers. The resulting revised papers are collected in the present volume. The contributions in this volume are a faithful representation of the wide spectrum of ThEdu, ranging from those more focused on the automated deduction research, not losing track of the possible applications in an educational setting, to those focused on the applications, in educational settings, of automated deduction tools and methods. We, the volume editors, hope that this collection of papers will further promote the development of theorem-proving-based software and that it will allow to improve the mutual understanding between computer scientists, mathematicians, and stakeholders in education. While this volume goes to press, the next edition of the ThEdu workshop is being prepared: ThEdu'25 will be a satellite event of the 30th international Conference on Automated DEduction (CADE-30), July 28th - August 2nd, 2025, Stuttgart, Germany.
Authors: Luis F. Gomez, Gonzalo Garrido-Lopez, Julian Fierrez, Aythami Morales, Ruben Tolosana, Javier Rueda, Enrique Navarro
Abstract: Human pose estimation has witnessed significant advancements in recent years, mainly due to the integration of deep learning models, the availability of a vast amount of data, and large computational resources. These developments have led to highly accurate body tracking systems, which have direct applications in sports analysis and performance evaluation. This work analyzes the performance of six trackers: two point trackers and four joint trackers for biomechanical analysis in sprints. The proposed framework compares the results obtained from these pose trackers with the manual annotations of biomechanical experts for more than 5870 frames. The experimental framework employs forty sprints from five professional runners, focusing on three key angles in sprint biomechanics: trunk inclination, hip flex extension, and knee flex extension. We propose a post-processing module for outlier detection and fusion prediction in the joint angles. The experimental results demonstrate that using joint-based models yields root mean squared errors ranging from 11.41{\deg} to 4.37{\deg}. When integrated with the post-processing modules, these errors can be reduced to 6.99{\deg} and 3.88{\deg}, respectively. The experimental findings suggest that human pose tracking approaches can be valuable resources for the biomechanical analysis of running. However, there is still room for improvement in applications where high accuracy is required.
Authors: Divyansh Srivastava, Xiang Zhang, He Wen, Chenru Wen, Zhuowen Tu
Abstract: We present Lay-Your-Scene (shorthand LayouSyn), a novel text-to-layout generation pipeline for natural scenes. Prior scene layout generation methods are either closed-vocabulary or use proprietary large language models for open-vocabulary generation, limiting their modeling capabilities and broader applicability in controllable image generation. In this work, we propose to use lightweight open-source language models to obtain scene elements from text prompts and a novel aspect-aware diffusion Transformer architecture trained in an open-vocabulary manner for conditional layout generation. Extensive experiments demonstrate that LayouSyn outperforms existing methods and achieves state-of-the-art performance on challenging spatial and numerical reasoning benchmarks. Additionally, we present two applications of LayouSyn. First, we show that coarse initialization from large language models can be seamlessly combined with our method to achieve better results. Second, we present a pipeline for adding objects to images, demonstrating the potential of LayouSyn in image editing applications.
Authors: Sriram Mandalika, Harsha Vardhan, Athira Nambiar
Abstract: Continual Learning entails progressively acquiring knowledge from new data while retaining previously acquired knowledge, thereby mitigating ``Catastrophic Forgetting'' in neural networks. Our work presents a novel uncertainty-driven Unsupervised Continual Learning framework using Generative Replay, namely ``Replay to Remember (R2R)''. The proposed R2R architecture efficiently uses unlabelled and synthetic labelled data in a balanced proportion using a cluster-level uncertainty-driven feedback mechanism and a VLM-powered generative replay module. Unlike traditional memory-buffer methods that depend on pretrained models and pseudo-labels, our R2R framework operates without any prior training. It leverages visual features from unlabeled data and adapts continuously using clustering-based uncertainty estimation coupled with dynamic thresholding. Concurrently, a generative replay mechanism along with DeepSeek-R1 powered CLIP VLM produces labelled synthetic data representative of past experiences, resembling biological visual thinking that replays memory to remember and act in new, unseen tasks. Extensive experimental analyses are carried out in CIFAR-10, CIFAR-100, CINIC-10, SVHN and TinyImageNet datasets. Our proposed R2R approach improves knowledge retention, achieving a state-of-the-art performance of 98.13%, 73.06%, 93.41%, 95.18%, 59.74%, respectively, surpassing state-of-the-art performance by over 4.36%.
Authors: Jack O'Hagan, Andrew Keane, Andrew Flynn
Abstract: Artificial Intelligence has advanced significantly in recent years thanks to innovations in the design and training of artificial neural networks (ANNs). Despite these advancements, we still understand relatively little about how elementary forms of ANNs learn, fail to learn, and generate false information without the intent to deceive, a phenomenon known as `confabulation'. To provide some foundational insight, in this paper we analyse how confabulation occurs in reservoir computers (RCs): a dynamical system in the form of an ANN. RCs are particularly useful to study as they are known to confabulate in a well-defined way: when RCs are trained to reconstruct the dynamics of a given attractor, they sometimes construct an attractor that they were not trained to construct, a so-called `untrained attractor' (UA). This paper sheds light on the role played by UAs when reconstruction fails and their influence when modelling transitions between reconstructed attractors. Based on our results, we conclude that UAs are an intrinsic feature of learning systems whose state spaces are bounded, and that this means of confabulation may be present in systems beyond RCs.
Authors: Lior Fox, Yonatan Loewenstein
Abstract: Action-values play a central role in popular Reinforcement Learing (RL) models of behavior. Yet, the idea that action-values are explicitly represented has been extensively debated. Critics had therefore repeatedly suggested that policy-gradient (PG) models should be favored over value-based (VB) ones, as a potential solution for this dilemma. Here we argue that this solution is unsatisfying. This is because PG methods are not, in fact, "Value-free" -- while they do not rely on an explicit representation of Value for acting (stimulus-response mapping), they do require it for learning. Hence, switching to PG models is, per se, insufficient for eliminating Value from models of behavior. More broadly, the requirement for a representation of Value stems from the underlying assumptions regarding the optimization objective posed by the standard RL framework, not from the particular algorithm chosen to solve it. Previous studies mostly took these standard RL assumptions for granted, as part of their conceptualization or problem modeling, while debating the different methods used to optimize it (i.e., PG or VB). We propose that, instead, the focus of the debate should shift to critically evaluating the underlying modeling assumptions. Such evaluation is particularly important from an experimental perspective. Indeed, the very notion of Value must be reconsidered when standard assumptions (e.g., risk neutrality, full-observability, Markovian environment, exponential discounting) are relaxed, as is likely in natural settings. Finally, we use the Value debate as a case study to argue in favor of a more nuanced, algorithmic rather than statistical, view of what constitutes "a model" in cognitive sciences. Our analysis suggests that besides "parametric" statistical complexity, additional aspects such as computational complexity must also be taken into account when evaluating model complexity.
Authors: Nicholas Pfaff, Hongkai Dai, Sergey Zakharov, Shun Iwase, Russ Tedrake
Abstract: Training robots in simulation requires diverse 3D scenes that reflect the specific challenges of downstream tasks. However, scenes that satisfy strict task requirements, such as high-clutter environments with plausible spatial arrangement, are rare and costly to curate manually. Instead, we generate large-scale scene data using procedural models that approximate realistic environments for robotic manipulation, and adapt it to task-specific goals. We do this by training a unified diffusion-based generative model that predicts which objects to place from a fixed asset library, along with their SE(3) poses. This model serves as a flexible scene prior that can be adapted using reinforcement learning-based post training, conditional generation, or inference-time search, steering generation toward downstream objectives even when they differ from the original data distribution. Our method enables goal-directed scene synthesis that respects physical feasibility and scales across scene types. We introduce a novel MCTS-based inference-time search strategy for diffusion models, enforce feasibility via projection and simulation, and release a dataset of over 44 million SE(3) scenes spanning five diverse environments. Website with videos, code, data, and model weights: https://steerable-scene-generation.github.io/
Authors: Binesh Sadanandan, Bahareh Arghavani Nobar, Vahid Behzadan
Abstract: The medical device industry has significantly advanced by integrating sophisticated electronics like microchips and field-programmable gate arrays (FPGAs) to enhance the safety and usability of life-saving devices. These complex electro-mechanical systems, however, introduce challenging failure modes that are not easily detectable with conventional methods. Effective fault detection and mitigation become vital as reliance on such electronics grows. This paper explores three generative machine learning-based approaches for fault detection in medical devices, leveraging sensor data from surgical staplers,a class 2 medical device. Historically considered low-risk, these devices have recently been linked to an increasing number of injuries and fatalities. The study evaluates the performance and data requirements of these machine-learning approaches, highlighting their potential to enhance device safety.
Authors: Ozan Gokdemir, Carlo Siebenschuh, Alexander Brace, Azton Wells, Brian Hsu, Kyle Hippe, Priyanka V. Setty, Aswathy Ajith, J. Gregory Pauloski, Varuni Sastry, Sam Foreman, Huihuo Zheng, Heng Ma, Bharat Kale, Nicholas Chia, Thomas Gibbs, Michael E. Papka, Thomas Brettin, Francis J. Alexander, Anima Anandkumar, Ian Foster, Rick Stevens, Venkatram Vishwanath, Arvind Ramanathan
Abstract: The volume of scientific literature is growing exponentially, leading to underutilized discoveries, duplicated efforts, and limited cross-disciplinary collaboration. Retrieval Augmented Generation (RAG) offers a way to assist scientists by improving the factuality of Large Language Models (LLMs) in processing this influx of information. However, scaling RAG to handle millions of articles introduces significant challenges, including the high computational costs associated with parsing documents and embedding scientific knowledge, as well as the algorithmic complexity of aligning these representations with the nuanced semantics of scientific content. To address these issues, we introduce HiPerRAG, a RAG workflow powered by high performance computing (HPC) to index and retrieve knowledge from more than 3.6 million scientific articles. At its core are Oreo, a high-throughput model for multimodal document parsing, and ColTrast, a query-aware encoder fine-tuning algorithm that enhances retrieval accuracy by using contrastive learning and late-interaction techniques. HiPerRAG delivers robust performance on existing scientific question answering benchmarks and two new benchmarks introduced in this work, achieving 90% accuracy on SciQ and 76% on PubMedQA-outperforming both domain-specific models like PubMedGPT and commercial LLMs such as GPT-4. Scaling to thousands of GPUs on the Polaris, Sunspot, and Frontier supercomputers, HiPerRAG delivers million document-scale RAG workflows for unifying scientific knowledge and fostering interdisciplinary innovation.
Authors: Viacheslav Vasilev, Vladimir Arkhipkin, Julia Agafonova, Tatiana Nikulina, Evelina Mironova, Alisa Shichanina, Nikolai Gerasimenko, Mikhail Shoytov, Denis Dimitrov
Abstract: Despite the fact that popular text-to-image generation models cope well with international and general cultural queries, they have a significant knowledge gap regarding individual cultures. This is due to the content of existing large training datasets collected on the Internet, which are predominantly based on Western European or American popular culture. Meanwhile, the lack of cultural adaptation of the model can lead to incorrect results, a decrease in the generation quality, and the spread of stereotypes and offensive content. In an effort to address this issue, we examine the concept of cultural code and recognize the critical importance of its understanding by modern image generation models, an issue that has not been sufficiently addressed in the research community to date. We propose the methodology for collecting and processing the data necessary to form a dataset based on the cultural code, in particular the Russian one. We explore how the collected data affects the quality of generations in the national domain and analyze the effectiveness of our approach using the Kandinsky 3.1 text-to-image model. Human evaluation results demonstrate an increase in the level of awareness of Russian culture in the model.
Authors: I-Chun Arthur Liu, Jason Chen, Gaurav Sukhatme, Daniel Seita
Abstract: Learning bimanual manipulation is challenging due to its high dimensionality and tight coordination required between two arms. Eye-in-hand imitation learning, which uses wrist-mounted cameras, simplifies perception by focusing on task-relevant views. However, collecting diverse demonstrations remains costly, motivating the need for scalable data augmentation. While prior work has explored visual augmentation in single-arm settings, extending these approaches to bimanual manipulation requires generating viewpoint-consistent observations across both arms and producing corresponding action labels that are both valid and feasible. In this work, we propose Diffusion for COordinated Dual-arm Data Augmentation (D-CODA), a method for offline data augmentation tailored to eye-in-hand bimanual imitation learning that trains a diffusion model to synthesize novel, viewpoint-consistent wrist-camera images for both arms while simultaneously generating joint-space action labels. It employs constrained optimization to ensure that augmented states involving gripper-to-object contacts adhere to constraints suitable for bimanual coordination. We evaluate D-CODA on 5 simulated and 3 real-world tasks. Our results across 2250 simulation trials and 300 real-world trials demonstrate that it outperforms baselines and ablations, showing its potential for scalable data augmentation in eye-in-hand bimanual manipulation. Our project website is at: https://dcodaaug.github.io/D-CODA/.
Authors: Conor Rowan, Kurt Maute, Alireza Doostan
Abstract: One use case of ``physics-informed neural networks'' (PINNs) is solution reconstruction, which aims to estimate the full-field state of a physical system from sparse measurements. Parameterized governing equations of the system are used in tandem with the measurements to regularize the regression problem. However, in real-world solution reconstruction problems, the parameterized governing equation may be inconsistent with the physical phenomena that give rise to the measurement data. We show that due to assuming consistency between the true and parameterized physics, PINNs-based approaches may fail to satisfy three basic criteria of interpretability, robustness, and data consistency. As we argue, these criteria ensure that (i) the quality of the reconstruction can be assessed, (ii) the reconstruction does not depend strongly on the choice of physics loss, and (iii) that in certain situations, the physics parameters can be uniquely recovered. In the context of elasticity and heat transfer, we demonstrate how standard formulations of the physics loss and techniques for constraining the solution to respect the measurement data lead to different ``constraint forces" -- which we define as additional source terms arising from the constraints -- and that these constraint forces can significantly influence the reconstructed solution. To avoid the potentially substantial influence of the choice of physics loss and method of constraint enforcement on the reconstructed solution, we propose the ``explicit constraint force method'' (ECFM) to gain control of the source term introduced by the constraint. We then show that by satisfying the criteria of interpretability, robustness, and data consistency, this approach leads to more predictable and customizable reconstructions from noisy measurement data, even when the parameterization of the missing physics is inconsistent with the measured system.
Authors: Min Chen, Jinglei Cheng, Pingzhi Li, Haoran Wang, Tianlong Chen, Junyu Liu
Abstract: Quantum computing offers theoretical advantages over classical computing for specific tasks, yet the boundary of practical quantum advantage remains an open question. To investigate this boundary, it is crucial to understand whether, and how, classical machines can learn and simulate quantum algorithms. Recent progress in large language models (LLMs) has demonstrated strong reasoning abilities, prompting exploration into their potential for this challenge. In this work, we introduce GroverGPT-2, an LLM-based method for simulating Grover's algorithm using Chain-of-Thought (CoT) reasoning and quantum-native tokenization. Building on its predecessor, GroverGPT-2 performs simulation directly from quantum circuit representations while producing logically structured and interpretable outputs. Our results show that GroverGPT-2 can learn and internalize quantum circuit logic through efficient processing of quantum-native tokens, providing direct evidence that classical models like LLMs can capture the structure of quantum algorithms. Furthermore, GroverGPT-2 outputs interleave circuit data with natural language, embedding explicit reasoning into the simulation. This dual capability positions GroverGPT-2 as a prototype for advancing machine understanding of quantum algorithms and modeling quantum circuit logic. We also identify an empirical scaling law for GroverGPT-2 with increasing qubit numbers, suggesting a path toward scalable classical simulation. These findings open new directions for exploring the limits of classical simulatability, enhancing quantum education and research, and laying groundwork for future foundation models in quantum computing.
Authors: Mukund Telukunta, Venkata Sriram Siddhardh Nadendla, Morgan Stuart, Casey Canfield
Abstract: Regression-based predictive analytics used in modern kidney transplantation is known to inherit biases from training data. This leads to social discrimination and inefficient organ utilization, particularly in the context of a few social groups. Despite this concern, there is limited research on fairness in regression and its impact on organ utilization and placement. This paper introduces three novel divergence-based group fairness notions: (i) independence, (ii) separation, and (iii) sufficiency to assess the fairness of regression-based analytics tools. In addition, fairness preferences are investigated from crowd feedback, in order to identify a socially accepted group fairness criterion for evaluating these tools. A total of 85 participants were recruited from the Prolific crowdsourcing platform, and a Mixed-Logit discrete choice model was used to model fairness feedback and estimate social fairness preferences. The findings clearly depict a strong preference towards the separation and sufficiency fairness notions, and that the predictive analytics is deemed fair with respect to gender and race groups, but unfair in terms of age groups.
Authors: Taisuke Kobayashi
Abstract: Interactive imitation learning makes an agent's control policy robust by stepwise supervisions from an expert. The recent algorithms mostly employ expert-agent switching systems to reduce the expert's burden by limitedly selecting the supervision timing. However, the precise selection is difficult and such a switching causes abrupt changes in actions, damaging the dynamic stability. This paper therefore proposes a novel method, so-called CubeDAgger, which improves robustness while reducing dynamic stability violations by making three improvements to a baseline method, EnsembleDAgger. The first improvement adds a regularization to explicitly activate the threshold for deciding the supervision timing. The second transforms the expert-agent switching system to an optimal consensus system of multiple action candidates. Third, autoregressive colored noise to the actions is introduced to make the stochastic exploration consistent over time. These improvements are verified by simulations, showing that the learned policies are sufficiently robust while maintaining dynamic stability during interaction.
Authors: Nong Minh Hieu, Antoine Ledent
Abstract: Contrastive Representation Learning (CRL) has achieved impressive success in various domains in recent years. Nevertheless, the theoretical understanding of the generalization behavior of CRL is limited. Moreover, to the best of our knowledge, the current literature only analyzes generalization bounds under the assumption that the data tuples used for contrastive learning are independently and identically distributed. However, in practice, we are often limited to a fixed pool of reusable labeled data points, making it inevitable to recycle data across tuples to create sufficiently large datasets. Therefore, the tuple-wise independence condition imposed by previous works is invalidated. In this paper, we provide a generalization analysis for the CRL framework under non-$i.i.d.$ settings that adheres to practice more realistically. Drawing inspiration from the literature on U-statistics, we derive generalization bounds which indicate the required number of samples in each class scales as the logarithm of the covering number of the class of learnable feature representations associated to each class. Next, we apply our main results to derive excess risk bounds for common function classes such as linear maps and neural networks.
Authors: Xuyang Guo, Jiayan Huo, Zhenmei Shi, Zhao Song, Jiahao Zhang, Jiale Zhao
Abstract: Thanks to recent advancements in scalable deep architectures and large-scale pretraining, text-to-video generation has achieved unprecedented capabilities in producing high-fidelity, instruction-following content across a wide range of styles, enabling applications in advertising, entertainment, and education. However, these models' ability to render precise on-screen text, such as captions or mathematical formulas, remains largely untested, posing significant challenges for applications requiring exact textual accuracy. In this work, we introduce T2VTextBench, the first human-evaluation benchmark dedicated to evaluating on-screen text fidelity and temporal consistency in text-to-video models. Our suite of prompts integrates complex text strings with dynamic scene changes, testing each model's ability to maintain detailed instructions across frames. We evaluate ten state-of-the-art systems, ranging from open-source solutions to commercial offerings, and find that most struggle to generate legible, consistent text. These results highlight a critical gap in current video generators and provide a clear direction for future research aimed at enhancing textual manipulation in video synthesis.
Authors: Lei Xin, Baike She, Qi Dou, George Chiu, Shreyas Sundaram
Abstract: The identification of a linear system model from data has wide applications in control theory. The existing work that provides finite sample guarantees for linear system identification typically uses data from a single long system trajectory under i.i.d. random inputs, and assumes that the underlying dynamics is truly linear. In contrast, we consider the problem of identifying a linearized model when the true underlying dynamics is nonlinear, given that there is a certain constraint on the region where one can initialize the experiments. We provide a multiple trajectories-based deterministic data acquisition algorithm followed by a regularized least squares algorithm, and provide a finite sample error bound on the learned linearized dynamics. Our error bound shows that one can consistently learn the linearized dynamics, and demonstrates a trade-off between the error due to nonlinearity and the error due to noise. We validate our results through numerical experiments, where we also show the potential insufficiency of linear system identification using a single trajectory with i.i.d. random inputs, when nonlinearity does exist.
Authors: Li Ni, Ziqi Deng, Lin Mu, Lei Zhang, Wenjian Luo, Yiwen Zhang
Abstract: Hypergraphs, capable of representing high-order interactions via hyperedges, have become a powerful tool for modeling real-world biological and social systems. Inherent relationships within these real-world systems, such as the encoding relationship between genes and their protein products, drive the establishment of interconnections between multiple hypergraphs. Here, we demonstrate how to utilize those interconnections between multiple hypergraphs to synthesize integrated information from multiple higher-order systems, thereby enhancing understanding of underlying structures. We propose a model based on the stochastic block model, which integrates information from multiple hypergraphs to reveal latent high-order structures. Real-world hyperedges exhibit preferential attachment, where certain nodes dominate hyperedge formation. To characterize this phenomenon, our model introduces hyperedge internal degree to quantify nodes' contributions to hyperedge formation. This model is capable of mining communities, predicting missing hyperedges of arbitrary sizes within hypergraphs, and inferring inter-hypergraph edges between hypergraphs. We apply our model to high-order datasets to evaluate its performance. Experimental results demonstrate strong performance of our model in community detection, hyperedge prediction, and inter-hypergraph edge prediction tasks. Moreover, we show that our model enables analysis of multiple hypergraphs of different types and supports the analysis of a single hypergraph in the absence of inter-hypergraph edges. Our work provides a practical and flexible tool for analyzing multiple hypergraphs, greatly advancing the understanding of the organization in real-world high-order systems.
Authors: Mattia Sartori, Chetna Singhal, Neelabhro Roy, Davide Brunelli, James Gross
Abstract: The miniaturisation of sensors and processors, the advancements in connected edge intelligence, and the exponential interest in Artificial Intelligence are boosting the affirmation of autonomous nano-size drones in the Internet of Robotic Things ecosystem. However, achieving safe autonomous navigation and high-level tasks such as exploration and surveillance with these tiny platforms is extremely challenging due to their limited resources. This work focuses on enabling the safe and autonomous flight of a pocket-size, 30-gram platform called Crazyflie 2.1 in a partially known environment. We propose a novel AI-aided, vision-based reactive planning method for obstacle avoidance under the ambit of Integrated Sensing, Computing and Communication paradigm. We deal with the constraints of the nano-drone by splitting the navigation task into two parts: a deep learning-based object detector runs on the edge (external hardware) while the planning algorithm is executed onboard. The results show the ability to command the drone at $\sim8$ frames-per-second and a model performance reaching a COCO mean-average-precision of $60.8$. Field experiments demonstrate the feasibility of the solution with the drone flying at a top speed of $1$ m/s while steering away from an obstacle placed in an unknown position and reaching the target destination. The outcome highlights the compatibility of the communication delay and the model performance with the requirements of the real-time navigation task. We provide a feasible alternative to a fully onboard implementation that can be extended to autonomous exploration with nano-drones.
Authors: Qian Peng, Yajie Bao, Haojie Ren, Zhaojun Wang, Changliang Zou
Abstract: Conformal prediction is a powerful tool for constructing prediction intervals for black-box models, providing a finite sample coverage guarantee for exchangeable data. However, this exchangeability is compromised when some entries of the test feature are contaminated, such as in the case of cellwise outliers. To address this issue, this paper introduces a novel framework called detect-then-impute conformal prediction. This framework first employs an outlier detection procedure on the test feature and then utilizes an imputation method to fill in those cells identified as outliers. To quantify the uncertainty in the processed test feature, we adaptively apply the detection and imputation procedures to the calibration set, thereby constructing exchangeable features for the conformal prediction interval of the test label. We develop two practical algorithms, PDI-CP and JDI-CP, and provide a distribution-free coverage analysis under some commonly used detection and imputation procedures. Notably, JDI-CP achieves a finite sample $1-2\alpha$ coverage guarantee. Numerical experiments on both synthetic and real datasets demonstrate that our proposed algorithms exhibit robust coverage properties and comparable efficiency to the oracle baseline.
Authors: Jialong Jiang, Wenkang Hu, Jian Huang, Yuling Jiao, Xu Liu
Abstract: The rapid advancement of generative models, such as Stable Diffusion, raises a key question: how can synthetic data from these models enhance predictive modeling? While they can generate vast amounts of datasets, only a subset meaningfully improves performance. We propose a novel end-to-end framework that generates and systematically filters synthetic data through domain-specific statistical methods, selectively integrating high-quality samples for effective augmentation. Our experiments demonstrate consistent improvements in predictive performance across various settings, highlighting the potential of our framework while underscoring the inherent limitations of generative models for data augmentation. Despite the ability to produce large volumes of synthetic data, the proportion that effectively improves model performance is limited.
Authors: Anthony Liang, Pavel Czempin, Matthew Hong, Yutai Zhou, Erdem Biyik, Stephen Tu
Abstract: Learning robot policies using imitation learning requires collecting large amounts of costly action-labeled expert demonstrations, which fundamentally limits the scale of training data. A promising approach to address this bottleneck is to harness the abundance of unlabeled observations-e.g., from video demonstrations-to learn latent action labels in an unsupervised way. However, we find that existing methods struggle when applied to complex robot tasks requiring fine-grained motions. We design continuous latent action models (CLAM) which incorporate two key ingredients we find necessary for learning to solve complex continuous control tasks from unlabeled observation data: (a) using continuous latent action labels instead of discrete representations, and (b) jointly training an action decoder to ensure that the latent action space can be easily grounded to real actions with relatively few labeled examples. Importantly, the labeled examples can be collected from non-optimal play data, enabling CLAM to learn performant policies without access to any action-labeled expert data. We demonstrate on continuous control benchmarks in DMControl (locomotion) and MetaWorld (manipulation), as well as on a real WidowX robot arm that CLAM significantly outperforms prior state-of-the-art methods, remarkably with a 2-3x improvement in task success rate compared to the best baseline. Videos and code can be found at clamrobot.github.io.
Authors: Hendrik M\"oller, Hanna Sch\"on, Alina Dima, Benjamin Keinert-Weth, Robert Graf, Matan Atad, Johannes Paetzold, Friederike Jungmann, Rickmer Braren, Florian Kofler, Bjoern Menze, Daniel Rueckert, Jan S. Kirschke
Abstract: Thoracolumbar stump ribs are one of the essential indicators of thoracolumbar transitional vertebrae or enumeration anomalies. While some studies manually assess these anomalies and describe the ribs qualitatively, this study aims to automate thoracolumbar stump rib detection and analyze their morphology quantitatively. To this end, we train a high-resolution deep-learning model for rib segmentation and show significant improvements compared to existing models (Dice score 0.997 vs. 0.779, p-value < 0.01). In addition, we use an iterative algorithm and piece-wise linear interpolation to assess the length of the ribs, showing a success rate of 98.2%. When analyzing morphological features, we show that stump ribs articulate more posteriorly at the vertebrae (-19.2 +- 3.8 vs -13.8 +- 2.5, p-value < 0.01), are thinner (260.6 +- 103.4 vs. 563.6 +- 127.1, p-value < 0.01), and are oriented more downwards and sideways within the first centimeters in contrast to full-length ribs. We show that with partially visible ribs, these features can achieve an F1-score of 0.84 in differentiating stump ribs from regular ones. We publish the model weights and masks for public use.
Authors: Jaehyun Jeon, Janghan Yoon, Minsoo Kim, Sumin Shim, Yejin Choi, Hanbin Kim, Youngjae Yu
Abstract: Evaluating user interface (UI) design effectiveness extends beyond aesthetics to influencing user behavior, a principle central to Design Persuasiveness. A/B testing is the predominant method for determining which UI variations drive higher user engagement, but it is costly and time-consuming. While recent Vision-Language Models (VLMs) can process automated UI analysis, current approaches focus on isolated design attributes rather than comparative persuasiveness-the key factor in optimizing user interactions. To address this, we introduce WiserUI-Bench, a benchmark designed for Pairwise UI Design Persuasiveness Assessment task, featuring 300 real-world UI image pairs labeled with A/B test results and expert rationales. Additionally, we propose G-FOCUS, a novel inference-time reasoning strategy that enhances VLM-based persuasiveness assessment by reducing position bias and improving evaluation accuracy. Experimental results show that G-FOCUS surpasses existing inference strategies in consistency and accuracy for pairwise UI evaluation. Through promoting VLM-driven evaluation of UI persuasiveness, our work offers an approach to complement A/B testing, propelling progress in scalable UI preference modeling and design optimization. Code and data will be released publicly.
Authors: Sandro Junior Della Rovere, Davide Basso, Luca Bortolussi, Mirjana Videnovic-Misic, Husni Habal
Abstract: The layout of analog ICs requires making complex trade-offs, while addressing device physics and variability of the circuits. This makes full automation with learning-based solutions hard to achieve. However, reinforcement learning (RL) has recently reached significant results, particularly in solving the floorplanning problem. This paper presents a hybrid method that combines RL with a beam (BS) strategy. The BS algorithm enhances the agent's inference process, allowing for the generation of flexible floorplans by accomodating various objective weightings, and addressing congestion without without the need for policy retraining or fine-tuning. Moreover, the RL agent's generalization ability stays intact, along with its efficient handling of circuit features and constraints. Experimental results show approx. 5-85% improvement in area, dead space and half-perimeter wire length compared to a standard RL application, along with higher rewards for the agent. Moreover, performance and efficiency align closely with those of existing state-of-the-art techniques.
Authors: Gary Froyland, Kevin K\"uhl
Abstract: Transfer and Koopman operator methods offer a framework for representing complex, nonlinear dynamical systems via linear transformations, enabling for a deeper understanding of the underlying dynamics. The spectrum of these operators provide important insights into system predictability and emergent behaviour, although efficiently estimating them from data can be challenging. We tackle this issue through the lens of general operator and representational learning, in which we approximate these linear operators using efficient finite-dimensional representations. Specifically, we machine-learn orthonormal, locally supported basis functions that are dynamically tailored to the system. This learned basis provides a particularly accurate approximation of the operator's action as well as a nearly invariant finite-dimensional subspace. We illustrate our approach with examples that showcase the retrieval of spectral properties from the estimated operator, and emphasise the dynamically adaptive quality of the machine-learned basis.
Authors: Shashank Agnihotri, Amaan Ansari, Annika Dackermann, Fabian R\"osch, Margret Keuper
Abstract: Deep learning (DL) has surpassed human performance on standard benchmarks, driving its widespread adoption in computer vision tasks. One such task is disparity estimation, estimating the disparity between matching pixels in stereo image pairs, which is crucial for safety-critical applications like medical surgeries and autonomous navigation. However, DL-based disparity estimation methods are highly susceptible to distribution shifts and adversarial attacks, raising concerns about their reliability and generalization. Despite these concerns, a standardized benchmark for evaluating the robustness of disparity estimation methods remains absent, hindering progress in the field. To address this gap, we introduce DispBench, a comprehensive benchmarking tool for systematically assessing the reliability of disparity estimation methods. DispBench evaluates robustness against synthetic image corruptions such as adversarial attacks and out-of-distribution shifts caused by 2D Common Corruptions across multiple datasets and diverse corruption scenarios. We conduct the most extensive performance and robustness analysis of disparity estimation methods to date, uncovering key correlations between accuracy, reliability, and generalization. Open-source code for DispBench: https://github.com/shashankskagnihotri/benchmarking_robustness/tree/disparity_estimation/final/disparity_estimation
Authors: Makbule Gulcin Ozsoy
Abstract: Knowledge graphs represent complex data using nodes, relationships, and properties. Cypher, a powerful query language for graph databases, enables efficient modeling and querying. Recent advancements in large language models allow translation of natural language questions into Cypher queries - Text2Cypher. A common approach is incorporating database schema into prompts. However, complex schemas can introduce noise, increase hallucinations, and raise computational costs. Schema filtering addresses these challenges by including only relevant schema elements, improving query generation while reducing token costs. This work explores various schema filtering methods for Text2Cypher task and analyzes their impact on token length, performance, and cost. Results show that schema filtering effectively optimizes Text2Cypher, especially for smaller models. Consistent with prior research, we find that larger models benefit less from schema filtering due to their longer context capabilities. However, schema filtering remains valuable for both larger and smaller models in cost reduction.
Authors: Jasper Rou
Abstract: Option pricing often requires solving partial differential equations (PDEs). Although deep learning-based PDE solvers have recently emerged as quick solutions to this problem, their empirical and quantitative accuracy remain not well understood, hindering their real-world applicability. In this research, our aim is to offer actionable insights into the utility of deep PDE solvers for practical option pricing implementation. Through comparative experiments in both the Black--Scholes and the Heston model, we assess the empirical performance of two neural network algorithms to solve PDEs: the Deep Galerkin Method and the Time Deep Gradient Flow method (TDGF). We determine their empirical convergence rates and training time as functions of (i) the number of sampling stages, (ii) the number of samples, (iii) the number of layers, and (iv) the number of nodes per layer. For the TDGF, we also consider the order of the discretization scheme and the number of time steps.
Authors: Makbule Gulcin Ozsoy
Abstract: Database query languages such as SQL for relational databases and Cypher for graph databases have been widely adopted. Recent advancements in large language models (LLMs) enable natural language interactions with databases through models like Text2SQL and Text2Cypher. Fine-tuning these models typically requires large, diverse datasets containing non-trivial examples. However, as dataset size increases, the cost of fine-tuning also rises. This makes smaller, high-quality datasets essential for reducing costs for the same or better performance. In this paper, we propose five hard-example selection techniques for pruning the Text2Cypher dataset, aiming to preserve or improve performance while reducing resource usage. Our results show that these hard-example selection approaches can halve training time and costs with minimal impact on performance, and demonstrates that hard-example selection provides a cost-effective solution.
Authors: Chuangtao Chen, Qinglin Zhao, MengChu Zhou, Zhimin He, Haozhen Situ
Abstract: This study explores quantum-enhanced discrete diffusion models to overcome classical limitations in learning high-dimensional distributions. We rigorously prove that classical discrete diffusion models, which calculate per-dimension transition probabilities to avoid exponential computational cost, exhibit worst-case linear scaling of Kullback-Leibler (KL) divergence with data dimension. To address this, we propose a Quantum Discrete Denoising Diffusion Probabilistic Model (QD3PM), which enables joint probability learning through diffusion and denoising in exponentially large Hilbert spaces. By deriving posterior states through quantum Bayes' theorem, similar to the crucial role of posterior probabilities in classical diffusion models, and by learning the joint probability, we establish a solid theoretical foundation for quantum-enhanced diffusion models. For denoising, we design a quantum circuit using temporal information for parameter sharing and learnable classical-data-controlled rotations for encoding. Exploiting joint distribution learning, our approach enables single-step sampling from pure noise, eliminating iterative requirements of existing models. Simulations demonstrate the proposed model's superior accuracy in modeling complex distributions compared to factorization methods. Hence, this paper establishes a new theoretical paradigm in generative models by leveraging the quantum advantage in joint distribution learning.
Authors: Aishwarya Venkataramanan, Paul Bodesheim, Joachim Denzler
Abstract: Vision-Language Models (VLMs) learn joint representations by mapping images and text into a shared latent space. However, recent research highlights that deterministic embeddings from standard VLMs often struggle to capture the uncertainties arising from the ambiguities in visual and textual descriptions and the multiple possible correspondences between images and texts. Existing approaches tackle this by learning probabilistic embeddings during VLM training, which demands large datasets and does not leverage the powerful representations already learned by large-scale VLMs like CLIP. In this paper, we propose GroVE, a post-hoc approach to obtaining probabilistic embeddings from frozen VLMs. GroVE builds on Gaussian Process Latent Variable Model (GPLVM) to learn a shared low-dimensional latent space where image and text inputs are mapped to a unified representation, optimized through single-modal embedding reconstruction and cross-modal alignment objectives. Once trained, the Gaussian Process model generates uncertainty-aware probabilistic embeddings. Evaluation shows that GroVE achieves state-of-the-art uncertainty calibration across multiple downstream tasks, including cross-modal retrieval, visual question answering, and active learning.
Authors: M. D. Ruiz-Medina, A. Torres--Signes
Abstract: Global Fr\'echet functional regression has been recently addressed from time correlated bivariate curve data evaluated in a manifold (see Torres et al. 2025). For this type of curve data sets, the present paper solves the problem of local linear approximation of the Fr\'echet conditional mean in an extrinsic and intrinsic way. The extrinsic local linear Fr\'echet functional regression predictor is obtained in the time varying tangent space by projection into an orthornormal basis of the ambient Hilbert space. The conditions assumed ensure the existence and uniqueness of this predictor, and its computation via exponential and logarithmic maps. A weighted Fr\'echet mean approach is adopted in the computation of an intrinsic local linear Fr\'echet functional regression predictor. The asymptotic optimality of this intrinsic local approximation is also proved. The performance of the empirical version of both, extrinsic and intrinsic functional predictors, and of a Nadaraya-Watson type Fr\'echet curve predictor is illustrated in the simulation study undertaken. The finite-sample size properties are also tested in a real-data application via cross-validation. Specifically, functional prediction of the magnetic vector field from the time-varying geocentric latitude and longitude of the satellite NASA's MAGSAT spacecraft is addressed.
Authors: Anish Ganguli, Prabal Deb, Debleena Banerjee
Abstract: Large Language Models (LLMs) assist in specialized tasks but struggle to align with evolving domain knowledge without costly fine-tuning. Domain knowledge consists of: Knowledge: Immutable facts (e.g., 'A stone is solid') and generally accepted principles (e.g., ethical standards); Refined Memory: Evolving insights shaped by business needs and real-world changes. However, a significant gap often exists between a domain expert's deep, nuanced understanding and the system's domain knowledge, which can hinder accurate information retrieval and application. Our Memory-Augmented Refinement of Knowledge (MARK) framework enables LLMs to continuously learn without retraining by leveraging structured refined memory, inspired by the Society of Mind. MARK operates through specialized agents, each serving a distinct role: Residual Refined Memory Agent: Stores and retrieves domain-specific insights to maintain context over time; User Question Refined Memory Agent: Captures user-provided facts, abbreviations, and terminology for better comprehension; LLM Response Refined Memory Agent: Extracts key elements from responses for refinement and personalization. These agents analyse stored refined memory, detect patterns, resolve contradictions, and improve response accuracy. Temporal factors like recency and frequency prioritize relevant information while discarding outdated insights. MARK enhances LLMs in multiple ways: Ground Truth Strategy: Reduces hallucinations by establishing a structured reference; Domain-Specific Adaptation: Essential for fields like healthcare, law, and manufacturing, where proprietary insights are absent from public datasets; Personalized AI Assistants: Improves virtual assistants by remembering user preferences, ensuring coherent responses over time.
Authors: Elad Feldman, Jacob Shams, Dudi Biton, Alfred Chen, Shaoyuan Xie, Satoru Koda, Yisroel Mirsky, Asaf Shabtai, Yuval Elovici, Ben Nassi
Abstract: The safety of autonomous cars has come under scrutiny in recent years, especially after 16 documented incidents involving Teslas (with autopilot engaged) crashing into parked emergency vehicles (police cars, ambulances, and firetrucks). While previous studies have revealed that strong light sources often introduce flare artifacts in the captured image, which degrade the image quality, the impact of flare on object detection performance remains unclear. In this research, we unveil PaniCar, a digital phenomenon that causes an object detector's confidence score to fluctuate below detection thresholds when exposed to activated emergency vehicle lighting. This vulnerability poses a significant safety risk, and can cause autonomous vehicles to fail to detect objects near emergency vehicles. In addition, this vulnerability could be exploited by adversaries to compromise the security of advanced driving assistance systems (ADASs). We assess seven commercial ADASs (Tesla Model 3, "manufacturer C", HP, Pelsee, AZDOME, Imagebon, Rexing), four object detectors (YOLO, SSD, RetinaNet, Faster R-CNN), and 14 patterns of emergency vehicle lighting to understand the influence of various technical and environmental factors. We also evaluate four SOTA flare removal methods and show that their performance and latency are insufficient for real-time driving constraints. To mitigate this risk, we propose Caracetamol, a robust framework designed to enhance the resilience of object detectors against the effects of activated emergency vehicle lighting. Our evaluation shows that on YOLOv3 and Faster RCNN, Caracetamol improves the models' average confidence of car detection by 0.20, the lower confidence bound by 0.33, and reduces the fluctuation range by 0.33. In addition, Caracetamol is capable of processing frames at a rate of between 30-50 FPS, enabling real-time ADAS car detection.
Authors: Hendrik Surmann, Jorge de Heuvel, Maren Bennewitz
Abstract: Human drivers exhibit individual preferences regarding driving style. Adapting autonomous vehicles to these preferences is essential for user trust and satisfaction. However, existing end-to-end driving approaches often rely on predefined driving styles or require continuous user feedback for adaptation, limiting their ability to support dynamic, context-dependent preferences. We propose a novel approach using multi-objective reinforcement learning (MORL) with preference-driven optimization for end-to-end autonomous driving that enables runtime adaptation to driving style preferences. Preferences are encoded as continuous weight vectors to modulate behavior along interpretable style objectives$\unicode{x2013}$including efficiency, comfort, speed, and aggressiveness$\unicode{x2013}$without requiring policy retraining. Our single-policy agent integrates vision-based perception in complex mixed-traffic scenarios and is evaluated in diverse urban environments using the CARLA simulator. Experimental results demonstrate that the agent dynamically adapts its driving behavior according to changing preferences while maintaining performance in terms of collision avoidance and route completion.
Authors: Yu Liu, Fabricio Oliveira
Abstract: Two-stage stochastic programming (2SP) offers a basic framework for modelling decision-making under uncertainty, yet scalability remains a challenge due to the computational complexity of recourse function evaluation. Existing learning-based methods like Neural Two-Stage Stochastic Programming (Neur2SP) employ neural networks (NNs) as recourse function surrogates but rely on computationally intensive mixed-integer programming (MIP) formulations. We propose ICNN-enhanced 2SP, a method that leverages Input Convex Neural Networks (ICNNs) to exploit linear programming (LP) representability in convex 2SP problems. By architecturally enforcing convexity and enabling exact inference through LP, our approach eliminates the need for integer variables inherent to the conventional MIP-based formulation while retaining an exact embedding of the ICNN surrogate within the 2SP framework. This results in a more computationally efficient alternative that maintains solution quality. Comprehensive experiments reveal that ICNNs incur only marginally longer training times while achieving validation accuracy on par with their MIP-based counterparts. Across benchmark problems, ICNN-enhanced 2SP often exhibits considerably faster solution times than the MIP-based formulations while preserving solution quality, with these advantages becoming significantly more pronounced as problem scale increases. For the most challenging instances, the method achieves speedups of up to 100$\times$ and solution quality superior to MIP-based formulations.
Authors: Jingbin Xu, Chen Qian, Meimei Liu, Feng Guo
Abstract: The surge in digitized text data requires reliable inferential methods on observed textual patterns. This article proposes a novel two-sample text test for comparing similarity between two groups of documents. The hypothesis is whether the probabilistic mapping generating the textual data is identical across two groups of documents. The proposed test aims to assess text similarity by comparing the entropy of the documents. Entropy is estimated using neural network-based language models. The test statistic is derived from an estimation-and-inference framework, where the entropy is first approximated using an estimation set, followed by inference on the remaining data set. We showed theoretically that under mild conditions, the test statistic asymptotically follows a normal distribution. A multiple data-splitting strategy is proposed to enhance test power, which combines p-values into a unified decision. Various simulation studies and a real data example demonstrated that the proposed two-sample text test maintains the nominal Type one error rate while offering greater power compared to existing methods. The proposed method provides a novel solution to assert differences in document classes, particularly in fields where large-scale textual information is crucial.
Authors: Alexander Soen
Abstract: Learning to reject provide a learning paradigm which allows for our models to abstain from making predictions. One way to learn the rejector is to learn an ideal marginal distribution (w.r.t. the input domain) - which characterizes a hypothetical best marginal distribution - and compares it to the true marginal distribution via a density ratio. In this paper, we consider learning a joint ideal distribution over both inputs and labels; and develop a link between rejection and thresholding different statistical divergences. We further find that when one considers a variant of the log-loss, the rejector obtained by considering the joint ideal distribution corresponds to the thresholding of the skewed Bhattacharyya divergence between class-probabilities. This is in contrast to the marginal case - that is equivalent to a typical characterization of optimal rejection, Chow's Rule - which corresponds to a thresholding of the Kullback-Leibler divergence. In general, we find that rejecting via a Bhattacharyya divergence is less aggressive than Chow's Rule.
Authors: Zechu Li, Yufeng Jin, Daniel Ordonez Apraez, Claudio Semini, Puze Liu, Georgia Chalvatzaki
Abstract: Humans naturally exhibit bilateral symmetry in their gross manipulation skills, effortlessly mirroring simple actions between left and right hands. Bimanual robots-which also feature bilateral symmetry-should similarly exploit this property to perform tasks with either hand. Unlike humans, who often favor a dominant hand for fine dexterous skills, robots should ideally execute ambidextrous manipulation with equal proficiency. To this end, we introduce SYMDEX (SYMmetric DEXterity), a reinforcement learning framework for ambidextrous bi-manipulation that leverages the robot's inherent bilateral symmetry as an inductive bias. SYMDEX decomposes complex bimanual manipulation tasks into per-hand subtasks and trains dedicated policies for each. By exploiting bilateral symmetry via equivariant neural networks, experience from one arm is inherently leveraged by the opposite arm. We then distill the subtask policies into a global ambidextrous policy that is independent of the hand-task assignment. We evaluate SYMDEX on six challenging simulated manipulation tasks and demonstrate successful real-world deployment on two of them. Our approach strongly outperforms baselines on complex task in which the left and right hands perform different roles. We further demonstrate SYMDEX's scalability by extending it to a four-arm manipulation setup, where our symmetry-aware policies enable effective multi-arm collaboration and coordination. Our results highlight how structural symmetry as inductive bias in policy learning enhances sample efficiency, robustness, and generalization across diverse dexterous manipulation tasks.
Authors: Jiaqi Leng, Zhiyan Ding, Zherui Chen, Lin Lin
Abstract: Sampling from probability distributions of the form $\sigma \propto e^{-\beta V}$, where $V$ is a continuous potential, is a fundamental task across physics, chemistry, biology, computer science, and statistics. However, when $V$ is non-convex, the resulting distribution becomes non-logconcave, and classical methods such as Langevin dynamics often exhibit poor performance. We introduce the first quantum algorithm that provably accelerates a broad class of continuous-time sampling dynamics. For Langevin dynamics, our method encodes the target Gibbs measure into the amplitudes of a quantum state, identified as the kernel of a block matrix derived from a factorization of the Witten Laplacian operator. This connection enables Gibbs sampling via singular value thresholding and yields the first provable quantum advantage with respect to the Poincar\'e constant in the non-logconcave setting. Building on this framework, we further develop the first quantum algorithm that accelerates replica exchange Langevin diffusion, a widely used method for sampling from complex, rugged energy landscapes.
Authors: Niklas Grieger, Siamak Mehrkanoon, Philipp Ritter, Stephan Bialonski
Abstract: Automation of sleep analysis, including both macrostructural (sleep stages) and microstructural (e.g., sleep spindles) elements, promises to enable large-scale sleep studies and to reduce variance due to inter-rater incongruencies. While individual steps, such as sleep staging and spindle detection, have been studied separately, the feasibility of automating multi-step sleep analysis remains unclear. Here, we evaluate whether a fully automated analysis using state-of-the-art machine learning models for sleep staging (RobustSleepNet) and subsequent spindle detection (SUMOv2) can replicate findings from an expert-based study of bipolar disorder. The automated analysis qualitatively reproduced key findings from the expert-based study, including significant differences in fast spindle densities between bipolar patients and healthy controls, accomplishing in minutes what previously took months to complete manually. While the results of the automated analysis differed quantitatively from the expert-based study, possibly due to biases between expert raters or between raters and the models, the models individually performed at or above inter-rater agreement for both sleep staging and spindle detection. Our results demonstrate that fully automated approaches have the potential to facilitate large-scale sleep research. We are providing public access to the tools used in our automated analysis by sharing our code and introducing SomnoBot, a privacy-preserving sleep analysis platform.
Authors: Kejie Zhao, Wenjia Hua, Aiersi Tuerhong, Luziwei Leng, Yuxin Ma, Qinghua Guo
Abstract: Recently, spiking neural networks (SNNs), deployed on neuromorphic chips, provide highly efficient solutions on edge devices in different scenarios. However, their ability to adapt to distribution shifts after deployment has become a crucial challenge. Online test-time adaptation (OTTA) offers a promising solution by enabling models to dynamically adjust to new data distributions without requiring source data or labeled target samples. Nevertheless, existing OTTA methods are largely designed for traditional artificial neural networks and are not well-suited for SNNs. To address this gap, we propose a low-power, neuromorphic chip-friendly online test-time adaptation framework, aiming to enhance model generalization under distribution shifts. The proposed approach is called Threshold Modulation (TM), which dynamically adjusts the firing threshold through neuronal dynamics-inspired normalization, being more compatible with neuromorphic hardware. Experimental results on benchmark datasets demonstrate the effectiveness of this method in improving the robustness of SNNs against distribution shifts while maintaining low computational cost. The proposed method offers a practical solution for online test-time adaptation of SNNs, providing inspiration for the design of future neuromorphic chips. The demo code is available at github.com/NneurotransmitterR/TM-OTTA-SNN.
Authors: Stefanos Gkikas
Abstract: From the original abstract: This thesis initially aims to study the pain assessment process from a clinical-theoretical perspective while exploring and examining existing automatic approaches. Building on this foundation, the primary objective of this Ph.D. project is to develop innovative computational methods for automatic pain assessment that achieve high performance and are applicable in real clinical settings. A primary goal is to thoroughly investigate and assess significant factors, including demographic elements that impact pain perception, as recognized in pain research, through a computational standpoint. Within the limits of the available data in this research area, our goal was to design, develop, propose, and offer automatic pain assessment pipelines for unimodal and multimodal configurations that are applicable to the specific requirements of different scenarios. The studies published in this Ph.D. thesis showcased the effectiveness of the proposed methods, achieving state-of-the-art results. Additionally, they paved the way for exploring new approaches in artificial intelligence, foundation models, and generative artificial intelligence.
Authors: Michelangelo Domina, Filippo Bigi, Paolo Pegolo, Michele Ceriotti
Abstract: Rotational symmetry plays a central role in physics, providing an elegant framework to describe how the properties of 3D objects -- from atoms to the macroscopic scale -- transform under the action of rigid rotations. Equivariant models of 3D point clouds are able to approximate structure-property relations in a way that is fully consistent with the structure of the rotation group, by combining intermediate representations that are themselves spherical tensors. The symmetry constraints however make this approach computationally demanding and cumbersome to implement, which motivates increasingly popular unconstrained architectures that learn approximate symmetries as part of the training process. In this work, we explore a third route to tackle this learning problem, where equivariant functions are expressed as the product of a scalar function of the point cloud coordinates and a small basis of tensors with the appropriate symmetry. We also propose approximations of the general expressions that, while lacking universal approximation properties, are fast, simple to implement, and accurate in practical settings.
Authors: Zheng-Xin Yong, M. Farid Adilazuarda, Jonibek Mansurov, Ruochen Zhang, Niklas Muennighoff, Carsten Eickhoff, Genta Indra Winata, Julia Kreutzer, Stephen H. Bach, Alham Fikri Aji
Abstract: Reasoning capabilities of large language models are primarily studied for English, even when pretrained models are multilingual. In this work, we investigate to what extent English reasoning finetuning with long chain-of-thoughts (CoTs) can generalize across languages. First, we find that scaling up inference compute for English-centric reasoning language models (RLMs) improves multilingual mathematical reasoning across many languages including low-resource languages, to an extent where they outperform models twice their size. Second, we reveal that while English-centric RLM's CoTs are naturally predominantly English, they consistently follow a quote-and-think pattern to reason about quoted non-English inputs. Third, we discover an effective strategy to control the language of long CoT reasoning, and we observe that models reason better and more efficiently in high-resource languages. Finally, we observe poor out-of-domain reasoning generalization, in particular from STEM to cultural commonsense knowledge, even for English. Overall, we demonstrate the potentials, study the mechanisms and outline the limitations of crosslingual generalization of English reasoning test-time scaling. We conclude that practitioners should let English-centric RLMs reason in high-resource languages, while further work is needed to improve reasoning in low-resource languages and out-of-domain contexts.
Authors: Yanda Chen, Joe Benton, Ansh Radhakrishnan, Jonathan Uesato, Carson Denison, John Schulman, Arushi Somani, Peter Hase, Misha Wagner, Fabien Roger, Vlad Mikulik, Samuel R. Bowman, Jan Leike, Jared Kaplan, Ethan Perez
Abstract: Chain-of-thought (CoT) offers a potential boon for AI safety as it allows monitoring a model's CoT to try to understand its intentions and reasoning processes. However, the effectiveness of such monitoring hinges on CoTs faithfully representing models' actual reasoning processes. We evaluate CoT faithfulness of state-of-the-art reasoning models across 6 reasoning hints presented in the prompts and find: (1) for most settings and models tested, CoTs reveal their usage of hints in at least 1% of examples where they use the hint, but the reveal rate is often below 20%, (2) outcome-based reinforcement learning initially improves faithfulness but plateaus without saturating, and (3) when reinforcement learning increases how frequently hints are used (reward hacking), the propensity to verbalize them does not increase, even without training against a CoT monitor. These results suggest that CoT monitoring is a promising way of noticing undesired behaviors during training and evaluations, but that it is not sufficient to rule them out. They also suggest that in settings like ours where CoT reasoning is not necessary, test-time monitoring of CoTs is unlikely to reliably catch rare and catastrophic unexpected behaviors.
Authors: Mario U. Gaimann, Miriam Klopotek
Abstract: We study the information processing abilities of active matter in the reservoir computing (RC) paradigm, using a model that is externally driven to infer the future state of a chaotic signal. The simulated system closely follows a previously reported model. We uncover an exceptional dynamical regime of agent dynamics that has been overlooked heretofore. It appears robustly optimal across varying physical parameters and inference tasks, thus providing valuable insights into computation and inference with physical systems more generally. The ability to form effective mechanisms for information processing are primarily determined by the system's own intrinsic relaxation abilities. These are identifiable when probing the system without a specific inference goal and manifest when testing minimalistic single-particle reservoirs. The regime that achieves optimal computation is situated just below the critical damping threshold, involving a microscopic dynamical relaxation with multiple stages. The optimal system is adaptable under chaotic external driving, due to a diversity in response mechanisms that emerge like rapid alternations between quasi-stationary and highly nonlinear dynamical states. Both coherent and incoherent dynamics contribute to their operation, partly at dissimilar scales of space and delay time. Correlations on agent dynamics can indicate the best-performing regimes and onsets of tight relationships between the responding system and the fluctuating driver. As this model of computation is interpretable in physical terms, it facilitates re-framing inquiries regarding learning and unconventional computing with a fresh rationale for many-body physics out of equilibrium.
Authors: Peter Chen, Xi Chen, Wotao Yin, Tianyi Lin
Abstract: Direct alignment methods are increasingly used for aligning large language models (LLMs) with human preferences. However, these methods suffer from the issues of verbosity and likelihood displacement, which can be driven by the noisy preference pairs that induce similar likelihood for preferred and dispreferred responses. The contributions of this paper are two-fold. First, we propose a new preference alignment method based on comparison oracles and provide the convergence guarantee for its basic scheme. Second, we improve our method using some heuristics and conduct the experiments to demonstrate the flexibility and compatibility of practical scheme in improving the performance of LLMs using noisy preference pairs. Evaluations are conducted across multiple base and instruction-tuned models (Mistral-7B, Llama-3-8B and Gemma-2-9B) with benchmarks (AlpacaEval 2, MT-Bench and Arena-Hard). Experimental results show the effectiveness of our method as an alternative to addressing the limitations of existing direct alignment methods. A highlight of our work is that we evidence the importance of designing specialized methods for preference pairs with distinct likelihood margin, which complements the recent findings in \citet{Razin-2025-Unintentional}.
Authors: Jarren Briscoe, Assefaw Gebremedhin
Abstract: Leveraging current legal standards, we define bias through the lens of marginal benefits and objective testing with the novel metric "Objective Fairness Index". This index combines the contextual nuances of objective testing with metric stability, providing a legally consistent and reliable measure. Utilizing the Objective Fairness Index, we provide fresh insights into sensitive machine learning applications, such as COMPAS (recidivism prediction), highlighting the metric's practical and theoretical significance. The Objective Fairness Index allows one to differentiate between discriminatory tests and systemic disparities.
Authors: Xinke Li, Zhirui Chen, Yue Zhao, Zekun Tong, Yabang Zhao, Andrew Lim, Joey Tianyi Zhou
Abstract: 3D deep learning has been increasingly more popular for a variety of tasks including many safety-critical applications. However, recently several works raise the security issues of 3D deep models. Although most of them consider adversarial attacks, we identify that backdoor attack is indeed a more serious threat to 3D deep learning systems but remains unexplored. We present the backdoor attacks in 3D point cloud with a unified framework that exploits the unique properties of 3D data and networks. In particular, we design two attack approaches on point cloud: the poison-label backdoor attack (PointPBA) and the clean-label backdoor attack (PointCBA). The first one is straightforward and effective in practice, while the latter is more sophisticated assuming there are certain data inspections. The attack algorithms are mainly motivated and developed by 1) the recent discovery of 3D adversarial samples suggesting the vulnerability of deep models under spatial transformation; 2) the proposed feature disentanglement technique that manipulates the feature of the data through optimization methods and its potential to embed a new task. Extensive experiments show the efficacy of the PointPBA with over 95% success rate across various 3D datasets and models, and the more stealthy PointCBA with around 50% success rate. Our proposed backdoor attack in 3D point cloud is expected to perform as a baseline for improving the robustness of 3D deep models.
Authors: Yehonatan Avidan, Qianyi Li, Haim Sompolinsky
Abstract: Artificial neural networks have revolutionized machine learning in recent years, but a complete theoretical framework for their learning process is still lacking. Substantial advances were achieved for wide networks, within two disparate theoretical frameworks: the Neural Tangent Kernel (NTK), which assumes linearized gradient descent dynamics, and the Bayesian Neural Network Gaussian Process (NNGP). We unify these two theories using gradient descent learning with an additional noise in an ensemble of wide deep networks. We construct an analytical theory for the network input-output function and introduce a new time-dependent Neural Dynamical Kernel (NDK) from which both NTK and NNGP kernels are derived. We identify two learning phases: a gradient-driven learning phase, dominated by loss minimization, in which the time scale is governed by the initialization variance. It is followed by a slow diffusive learning stage, where the parameters sample the solution space, with a time constant decided by the noise and the Bayesian prior variance. The two variance parameters strongly affect the performance in the two regimes, especially in sigmoidal neurons. In contrast to the exponential convergence of the mean predictor in the initial phase, the convergence to the equilibrium is more complex and may behave nonmonotonically. By characterizing the diffusive phase, our work sheds light on representational drift in the brain, explaining how neural activity changes continuously without degrading performance, either by ongoing gradient signals that synchronize the drifts of different synapses or by architectural biases that generate task-relevant information that is robust against the drift process. This work closes the gap between the NTK and NNGP theories, providing a comprehensive framework for the learning process of deep wide neural networks and for analyzing dynamics in biological circuits.
Authors: Ben Aoki-Sherwood, Catherine Bregou, David Liben-Nowell, Kiran Tomlinson, Thomas Zeng
Abstract: The widely used Plackett-Luce ranking model assumes that individuals rank items by making repeated choices from a universe of items. But in many cases the universe is too big for people to plausibly consider all options. In the choice literature, this issue has been addressed by supposing that individuals first sample a small consideration set and then choose among the considered items. However, inferring unobserved consideration sets (or item consideration probabilities) in this "consider then choose" setting poses significant challenges, because even simple models of consideration with strong independence assumptions are not identifiable, even if item utilities are known. We apply the consider-then-choose framework to top-$k$ rankings, where we assume rankings are constructed according to a Plackett-Luce model after sampling a consideration set. While item consideration probabilities remain non-identified in this setting, we prove that we can infer bounds on the relative values of consideration probabilities. Additionally, given a condition on the expected consideration set size and known item utilities, we derive absolute upper and lower bounds on item consideration probabilities. We also provide algorithms to tighten those bounds on consideration probabilities by propagating inferred constraints. Thus, we show that we can learn useful information about consideration probabilities despite not being able to identify them precisely. We demonstrate our methods on a ranking dataset from a psychology experiment with two different ranking tasks (one with fixed consideration sets and one with unknown consideration sets). This combination of data allows us to estimate utilities and then learn about unknown consideration probabilities using our bounds.
Authors: Wenyu Jiang, Zhenlong Liu, Zejian Xie, Songxin Zhang, Bingyi Jing, Hongxin Wei
Abstract: The ever-increasing fine-tuning cost of large-scale pre-trained models gives rise to the importance of dataset pruning, which aims to reduce dataset size while maintaining task performance. However, existing dataset pruning methods require training on the entire dataset, which is impractical for large-scale pre-trained models. In this paper, we propose a straightforward, novel, and training-free hardness score named Distorting-based Learning Complexity (DLC), to identify informative images and instructions from the downstream dataset efficiently. Our method is motivated by the observation that easy samples learned faster can also be learned with fewer parameters. Specifically, we define the Learning Complexity to quantify sample hardness and utilize a lightweight weights masking process for fast estimation, instead of the costly SGD optimization. Based on DLC, we further design a flexible under-sampling with randomness (dubbed FlexRand), replacing the top-K strategy, to alleviate the severe subset distribution shift. Extensive experiments with downstream image and instructions dataset pruning benchmarks demonstrate the effectiveness and efficiency of the proposed approach. In the images pruning benchmark, DLC significantly reduces the pruning time by 35x while establishing state-of-the-art performance with FlexRand.
Authors: Qingyuan Wang, Barry Cardiff, Antoine Frapp\'e, Benoit Larras, Deepu John
Abstract: Conventional deep learning (DL) model compression and scaling methods focus on altering the model's components, impacting the results across all samples uniformly. However, since samples vary in difficulty, a dynamic model that adapts computation based on sample complexity offers a novel perspective for compression and scaling. Despite this potential, existing dynamic models are typically monolithic and model-specific, limiting their generalizability as broad compression and scaling methods. Additionally, most deployed DL systems are fixed, unable to adjust their scale once deployed and, therefore, cannot adapt to the varying real-time demands. This paper introduces DyCE, a dynamically configurable system that can adjust the performance-complexity trade-off of a DL model at runtime without requiring re-initialization or redeployment on inference hardware. DyCE achieves this by adding small exit networks to intermediate layers of the original model, allowing computation to terminate early if acceptable results are obtained. DyCE also decouples the design of an efficient dynamic model, facilitating easy adaptation to new base models and potential general use in compression and scaling. We also propose methods for generating optimized configurations and determining the types and positions of exit networks to achieve desired performance and complexity trade-offs. By enabling simple configuration switching, DyCE provides fine-grained performance tuning in real-time. We demonstrate the effectiveness of DyCE through image classification tasks using deep convolutional neural networks (CNNs). DyCE significantly reduces computational complexity by 23.5% for ResNet152 and 25.9% for ConvNextv2-tiny on ImageNet, with accuracy reductions of less than 0.5%.
Authors: David Valiente, Fernando Rodr\'iguez-Mas, Juan V. Alegre-Requena, David Dalmau, Mar\'ia Flores, Juan C. Ferrer
Abstract: This work presents a set of optimal machine learning (ML) models to represent the temporal degradation suffered by the power conversion efficiency (PCE) of polymeric organic solar cells (OSCs) with a multilayer structure ITO/PEDOT:PSS/P3HT:PCBM/Al. To that aim, we generated a database with 996 entries, which includes up to 7 variables regarding both the manufacturing process and environmental conditions for more than 180 days. Then, we relied on a software framework that brings together a conglomeration of automated ML protocols that execute sequentially against our database by simply command-line interface. This easily permits hyper-optimizing and randomizing seeds of the ML models through exhaustive benchmarking so that optimal models are obtained. The accuracy achieved reaches values of the coefficient determination (R2) widely exceeding 0.90, whereas the root mean squared error (RMSE), sum of squared error (SSE), and mean absolute error (MAE)>1% of the target value, the PCE. Additionally, we contribute with validated models able to screen the behavior of OSCs never seen in the database. In that case, R2~0.96-0.97 and RMSE~1%, thus confirming the reliability of the proposal to predict. For comparative purposes, classical Bayesian regression fitting based on non-linear mean squares (LMS) are also presented, which only perform sufficiently for univariate cases of single OSCs. Hence they fail to outperform the breadth of the capabilities shown by the ML models. Finally, thanks to the standardized results offered by the ML framework, we study the dependencies between the variables of the dataset and their implications for the optimal performance and stability of the OSCs. Reproducibility is ensured by a standardized report altogether with the dataset, which are publicly available at Github.
Authors: Haiyun He, Ziv Goldfeld
Abstract: Deep neural networks (DNNs) exhibit an exceptional capacity for generalization in practical applications. This work aims to capture the effect and benefits of depth for supervised learning via information-theoretic generalization bounds. We first derive two hierarchical bounds on the generalization error in terms of the Kullback-Leibler (KL) divergence or the 1-Wasserstein distance between the train and test distributions of the network internal representations. The KL divergence bound shrinks as the layer index increases, while the Wasserstein bound implies the existence of a layer that serves as a generalization funnel, which attains a minimal 1-Wasserstein distance. Analytic expressions for both bounds are derived under the setting of binary Gaussian classification with linear DNNs. To quantify the contraction of the relevant information measures when moving deeper into the network, we analyze the strong data processing inequality (SDPI) coefficient between consecutive layers of three regularized DNN models: $\mathsf{Dropout}$, $\mathsf{DropConnect}$, and Gaussian noise injection. This enables refining our generalization bounds to capture the contraction as a function of the network architecture parameters. Specializing our results to DNNs with a finite parameter space and the Gibbs algorithm reveals that deeper yet narrower network architectures generalize better in those examples, although how broadly this statement applies remains a question.
Authors: Lars Veefkind, Gabriele Cesa
Abstract: Steerable convolutional neural networks (SCNNs) enhance task performance by modelling geometric symmetries through equivariance constraints on weights. Yet, unknown or varying symmetries can lead to overconstrained weights and decreased performance. To address this, this paper introduces a probabilistic method to learn the degree of equivariance in SCNNs. We parameterise the degree of equivariance as a likelihood distribution over the transformation group using Fourier coefficients, offering the option to model layer-wise and shared equivariance. These likelihood distributions are regularised to ensure an interpretable degree of equivariance across the network. Advantages include the applicability to many types of equivariant networks through the flexible framework of SCNNs and the ability to learn equivariance with respect to any subgroup of any compact group without requiring additional layers. Our experiments reveal competitive performance on datasets with mixed symmetries, with learnt likelihood distributions that are representative of the underlying degree of equivariance.
Authors: Yutao Sun, Mingshuai Chen, Tiancheng Zhao, Kangjia Zhao, He Li, Jintao Chen, Zhongyi Wang, Liqiang Lu, Xinkui Zhao, Shuiguang Deng, Jianwei Yin
Abstract: Artificial intelligence is rapidly encroaching on the field of service regulation. However, existing AI-based regulation techniques are often tailored to specific application domains and thus are difficult to generalize in an automated manner. This paper presents Horae, a unified specification language for modeling (multimodal) regulation rules across a diverse set of domains. We showcase how Horae facilitates an intelligent service regulation pipeline by further exploiting a fine-tuned large language model named RuleGPT that automates the Horae modeling process, thereby yielding an end-to-end framework for fully automated intelligent service regulation. The feasibility and effectiveness of our framework are demonstrated over a benchmark of various real-world regulation domains. In particular, we show that our open-sourced, fine-tuned RuleGPT with 7B parameters suffices to outperform GPT-3.5 and perform on par with GPT-4o.
Authors: Ossi R\"ais\"a, Stratis Markou, Matthew Ashman, Wessel P. Bruinsma, Marlon Tobaben, Antti Honkela, Richard E. Turner
Abstract: Many high-stakes applications require machine learning models that protect user privacy and provide well-calibrated, accurate predictions. While Differential Privacy (DP) is the gold standard for protecting user privacy, standard DP mechanisms typically significantly impair performance. One approach to mitigating this issue is pre-training models on simulated data before DP learning on the private data. In this work we go a step further, using simulated data to train a meta-learning model that combines the Convolutional Conditional Neural Process (ConvCNP) with an improved functional DP mechanism of Hall et al. [2013] yielding the DPConvCNP. DPConvCNP learns from simulated data how to map private data to a DP predictive model in one forward pass, and then provides accurate, well-calibrated predictions. We compare DPConvCNP with a DP Gaussian Process (GP) baseline with carefully tuned hyperparameters. The DPConvCNP outperforms the GP baseline, especially on non-Gaussian data, yet is much faster at test time and requires less tuning.
Authors: Rudrajit Das, Inderjit S. Dhillon, Alessandro Epasto, Adel Javanmard, Jieming Mao, Vahab Mirrokni, Sujay Sanghavi, Peilin Zhong
Abstract: The performance of a model trained with noisy labels is often improved by simply \textit{retraining} the model with its \textit{own predicted hard labels} (i.e., 1/0 labels). Yet, a detailed theoretical characterization of this phenomenon is lacking. In this paper, we theoretically analyze retraining in a linearly separable binary classification setting with randomly corrupted labels given to us and prove that retraining can improve the population accuracy obtained by initially training with the given (noisy) labels. To the best of our knowledge, this is the first such theoretical result. Retraining finds application in improving training with local label differential privacy (DP) which involves training with noisy labels. We empirically show that retraining selectively on the samples for which the predicted label matches the given label significantly improves label DP training at no extra privacy cost; we call this consensus-based retraining. As an example, when training ResNet-18 on CIFAR-100 with $\epsilon=3$ label DP, we obtain more than 6% improvement in accuracy with consensus-based retraining.
Authors: Camillo Maria Caruso, Paolo Soda, Valerio Guarrasi
Abstract: Handling missing values in tabular datasets presents a significant challenge in training and testing artificial intelligence models, an issue usually addressed using imputation techniques. Here we introduce "Not Another Imputation Method" (NAIM), a novel transformer-based model specifically designed to address this issue without the need for traditional imputation techniques. NAIM's ability to avoid the necessity of imputing missing values and to effectively learn from available data relies on two main techniques: the use of feature-specific embeddings to encode both categorical and numerical features also handling missing inputs; the modification of the masked self-attention mechanism to completely mask out the contributions of missing data. Additionally, a novel regularization technique is introduced to enhance the model's generalization capability from incomplete data. We extensively evaluated NAIM on 5 publicly available tabular datasets, demonstrating its superior performance over 6 state-of-the-art machine learning models and 5 deep learning models, each paired with 3 different imputation techniques when necessary. The results highlight the efficacy of NAIM in improving predictive performance and resilience in the presence of missing data. To facilitate further research and practical application in handling missing data without traditional imputation methods, we made the code for NAIM available at https://github.com/cosbidev/NAIM.
Authors: Binchi Zhang, Yushun Dong, Tianhao Wang, Jundong Li
Abstract: In the field of machine unlearning, certified unlearning has been extensively studied in convex machine learning models due to its high efficiency and strong theoretical guarantees. However, its application to deep neural networks (DNNs), known for their highly nonconvex nature, still poses challenges. To bridge the gap between certified unlearning and DNNs, we propose several simple techniques to extend certified unlearning methods to nonconvex objectives. To reduce the time complexity, we develop an efficient computation method by inverse Hessian approximation without compromising certification guarantees. In addition, we extend our discussion of certification to nonconvergence training and sequential unlearning, considering that real-world users can send unlearning requests at different time points. Extensive experiments on three real-world datasets demonstrate the efficacy of our method and the advantages of certified unlearning in DNNs.
Authors: Puning Zhao, Rongfei Fan, Shaowei Wang, Li Shen, Qixin Zhang, Zong Ke, Tianhang Zheng
Abstract: Nonparametric contextual bandit is an important model of sequential decision making problems. Under $\alpha$-Tsybakov margin condition, existing research has established a regret bound of $\tilde{O}\left(T^{1-\frac{\alpha+1}{d+2}}\right)$ for bounded supports. However, the optimal regret with unbounded contexts has not been analyzed. The challenge of solving contextual bandit problems with unbounded support is to achieve both exploration-exploitation tradeoff and bias-variance tradeoff simultaneously. In this paper, we solve the nonparametric contextual bandit problem with unbounded contexts. We propose two nearest neighbor methods combined with UCB exploration. The first method uses a fixed $k$. Our analysis shows that this method achieves minimax optimal regret under a weak margin condition and relatively light-tailed context distributions. The second method uses adaptive $k$. By a proper data-driven selection of $k$, this method achieves an expected regret of $\tilde{O}\left(T^{1-\frac{(\alpha+1)\beta}{\alpha+(d+2)\beta}}+T^{1-\beta}\right)$, in which $\beta$ is a parameter describing the tail strength. This bound matches the minimax lower bound up to logarithm factors, indicating that the second method is approximately optimal.
Authors: Tianyi Chen, Xiaoyi Qu, David Aponte, Colby Banbury, Jongwoo Ko, Tianyu Ding, Yong Ma, Vladimir Lyapunov, Ilya Zharkov, Luming Liang
Abstract: Structured pruning is one of the most popular approaches to effectively compress the heavy deep neural networks (DNNs) into compact sub-networks while retaining performance. The existing methods suffer from multi-stage procedures along with significant engineering efforts and human expertise. The Only-Train-Once (OTO) series has been recently proposed to resolve the many pain points by streamlining the workflow by automatically conducting (i) search space generation, (ii) structured sparse optimization, and (iii) sub-network construction. However, the built-in sparse optimizers in the OTO series, i.e., the Half-Space Projected Gradient (HSPG) family, have limitations that require hyper-parameter tuning and the implicit controls of the sparsity exploration, consequently requires intervening by human expertise. To address such limitations, we propose a Hybrid Efficient Structured Sparse Optimizer (HESSO). HESSO could automatically and efficiently train a DNN to produce a high-performing subnetwork. Meanwhile, it is almost tuning-free and enjoys user-friendly integration for generic training applications. To address another common issue of irreversible performance collapse observed in pruning DNNs, we further propose a Corrective Redundant Identification Cycle (CRIC) for reliably identifying indispensable structures. We numerically demonstrate the efficacy of HESSO and its enhanced version HESSO-CRIC on a variety of applications ranging from computer vision to natural language processing, including large language model. The numerical results showcase that HESSO can achieve competitive even superior performance to varying state-of-the-arts and support most DNN architectures. Meanwhile, CRIC can effectively prevent the irreversible performance collapse and further enhance the performance of HESSO on certain applications.
Authors: Yunsheng Bai, Atefeh Sohrabizadeh, Zijian Ding, Rongjian Liang, Weikai Li, Ding Wang, Haoxing Ren, Yizhou Sun, Jason Cong
Abstract: High-level synthesis (HLS) is an automated design process that transforms high-level code into hardware designs, enabling the rapid development of hardware accelerators. HLS relies on pragmas, which are directives inserted into the source code to guide the synthesis process, and pragmas have various settings and values that significantly impact the resulting hardware design. State-of-the-art ML-based HLS methods, such as HARP, first train a deep learning model, typically based on graph neural networks (GNNs) applied to graph-based representations of the source code and pragmas. They then perform design space exploration (DSE) to explore the pragma design space, rank candidate designs using the model, and return the top designs. However, traditional DSE methods face challenges due to the highly nonlinear relationship between pragma settings and performance metrics, along with complex interactions between pragmas that affect performance in non-obvious ways. To address these challenges, we propose compareXplore, a novel approach that learns to compare hardware designs for effective HLS optimization. CompareXplore introduces a hybrid loss function that combines pairwise preference learning with pointwise performance prediction, enabling the model to capture both relative preferences and absolute performance. Moreover, we introduce a novel node difference attention module that focuses on the most informative differences between designs, enabling the model to identify critical pragmas impacting performance. CompareXplore adopts a two-stage DSE, where a pointwise prediction model is used for the initial design pruning, followed by a pairwise comparison stage for precise performance verification. In extensive experiments, compareXplore achieves significant improvements in ranking metrics and generates high-quality HLS results for the selected designs, outperforming the existing SOTA method.
Authors: Yejin Lee, Anna Sun, Basil Hosmer, Bilge Acun, Can Balioglu, Changhan Wang, Charles David Hernandez, Christian Puhrsch, Daniel Haziza, Driss Guessous, Francisco Massa, Jacob Kahn, Jeffrey Wan, Jeremy Reizenstein, Jiaqi Zhai, Joe Isaacson, Joel Schlosser, Juan Pino, Kaushik Ram Sadagopan, Leonid Shamis, Linjian Ma, Min-Jae Hwang, Mingda Chen, Mostafa Elhoushi, Pedro Rodriguez, Ram Pasunuru, Scott Yih, Sravya Popuri, Xing Liu, Carole-Jean Wu
Abstract: Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is capable of understanding and responding in multiple modalities. However, the advanced capability currently comes with significant system resource demands. To sustainably scale generative AI capabilities to billions of users in the world, inference must be fast and efficient. This paper pinpoints key system design and optimization opportunities by characterizing a family of emerging multi-modal generation models on real systems. Auto-regressive token generation is a critical latency performance bottleneck, typically dominated by GPU idle time. In addition to memory-intensive attention across the generative AI models, linear operations constitute significant inference latency due to the feed forward networks in Transformer-based models. We demonstrate that state-of-the-art optimization levers, spanning from applications to system software and hardware, set a 3.88x better baseline.
Authors: Zhenyi Zhang, Tiejun Li, Peijie Zhou
Abstract: Reconstructing dynamics using samples from sparsely time-resolved snapshots is an important problem in both natural sciences and machine learning. Here, we introduce a new deep learning approach for solving regularized unbalanced optimal transport (RUOT) and inferring continuous unbalanced stochastic dynamics from observed snapshots. Based on the RUOT form, our method models these dynamics without requiring prior knowledge of growth and death processes or additional information, allowing them to be learned directly from data. Theoretically, we explore the connections between the RUOT and Schr\"odinger bridge problem and discuss the key challenges and potential solutions. The effectiveness of our method is demonstrated with a synthetic gene regulatory network, high-dimensional Gaussian Mixture Model, and single-cell RNA-seq data from blood development. Compared with other methods, our approach accurately identifies growth and transition patterns, eliminates false transitions, and constructs the Waddington developmental landscape. Our code is available at: https://github.com/zhenyiizhang/DeepRUOT.
Authors: Ruohong Liu, Yuxin Pan, Linjie Xu, Lei Song, Jiang Bian, Pengcheng You, Yize Chen
Abstract: Multi-objective reinforcement learning (MORL) excels at handling rapidly changing preferences in tasks that involve multiple criteria, even for unseen preferences. However, previous dominating MORL methods typically generate a fixed policy set or preference-conditioned policy through multiple training iterations exclusively for sampled preference vectors, and cannot ensure the efficient discovery of the Pareto front. Furthermore, integrating preferences into the input of policy or value functions presents scalability challenges, in particular as the dimension of the state and preference space grow, which can complicate the learning process and hinder the algorithm's performance on more complex tasks. To address these issues, we propose a two-stage Pareto front discovery algorithm called Constrained MORL (C-MORL), which serves as a seamless bridge between constrained policy optimization and MORL. Concretely, a set of policies is trained in parallel in the initialization stage, with each optimized towards its individual preference over the multiple objectives. Then, to fill the remaining vacancies in the Pareto front, the constrained optimization steps are employed to maximize one objective while constraining the other objectives to exceed a predefined threshold. Empirically, compared to recent advancements in MORL methods, our algorithm achieves more consistent and superior performances in terms of hypervolume, expected utility, and sparsity on both discrete and continuous control tasks, especially with numerous objectives (up to nine objectives in our experiments).
Authors: Zhengyu Hu, Yichuan Li, Zhengyu Chen, Jingang Wang, Han Liu, Kyumin Lee, Kaize Ding
Abstract: Textual Attributed Graphs (TAGs) are crucial for modeling complex real-world systems, yet leveraging large language models (LLMs) for TAGs presents unique challenges due to the gap between sequential text processing and graph-structured data. We introduce AskGNN, a novel approach that bridges this gap by leveraging In-Context Learning (ICL) to integrate graph data and task-specific information into LLMs. AskGNN employs a Graph Neural Network (GNN)-powered structure-enhanced retriever to select labeled nodes across graphs, incorporating complex graph structures and their supervision signals. Our learning-to-retrieve algorithm optimizes the retriever to select example nodes that maximize LLM performance on graph. Experiments across three tasks and seven LLMs demonstrate AskGNN's superior effectiveness in graph task performance, opening new avenues for applying LLMs to graph-structured data without extensive fine-tuning.
Authors: Avrim Blum, Donya Saless
Abstract: Instance-targeted data poisoning attacks, where an adversary corrupts a training set to induce errors on specific test points, have raised significant concerns. Balcan et al (2022) proposed an approach to addressing this challenge by defining a notion of robustly-reliable learners that provide per-instance guarantees of correctness under well-defined assumptions, even in the presence of data poisoning attacks. They then give a generic optimal (but computationally inefficient) robustly reliable learner as well as a computationally efficient algorithm for the case of linear separators over log-concave distributions. In this work, we address two challenges left open by Balcan et al (2022). The first is that the definition of robustly-reliable learners in Balcan et al (2022) becomes vacuous for highly-flexible hypothesis classes: if there are two classifiers h_0, h_1 \in H both with zero error on the training set such that h_0(x) \neq h_1(x), then a robustly-reliable learner must abstain on x. We address this problem by defining a modified notion of regularized robustly-reliable learners that allows for nontrivial statements in this case. The second is that the generic algorithm of Balcan et al (2022) requires re-running an ERM oracle (essentially, retraining the classifier) on each test point x, which is generally impractical even if ERM can be implemented efficiently. To tackle this problem, we show that at least in certain interesting cases we can design algorithms that can produce their outputs in time sublinear in training time, by using techniques from dynamic algorithm design.
Authors: Xingjian Wu, Xiangfei Qiu, Zhengyu Li, Yihang Wang, Jilin Hu, Chenjuan Guo, Hui Xiong, Bin Yang
Abstract: Anomaly detection in multivariate time series is challenging as heterogeneous subsequence anomalies may occur. Reconstruction-based methods, which focus on learning normal patterns in the frequency domain to detect diverse abnormal subsequences, achieve promising results, while still falling short on capturing fine-grained frequency characteristics and channel correlations. To contend with the limitations, we introduce CATCH, a framework based on frequency patching. We propose to patchify the frequency domain into frequency bands, which enhances its ability to capture fine-grained frequency characteristics. To perceive appropriate channel correlations, we propose a Channel Fusion Module (CFM), which features a patch-wise mask generator and a masked-attention mechanism. Driven by a bi-level multi-objective optimization algorithm, the CFM is encouraged to iteratively discover appropriate patch-wise channel correlations, and to cluster relevant channels while isolating adverse effects from irrelevant channels. Extensive experiments on 10 real-world datasets and 12 synthetic datasets demonstrate that CATCH achieves state-of-the-art performance. We make our code and datasets available at https://github.com/decisionintelligence/CATCH.
Authors: Jialu Tang, Tong Xia, Yuan Lu, Cecilia Mascolo, Aaqib Saeed
Abstract: Electrocardiogram (ECG) interpretation requires specialized expertise, often involving synthesizing insights from ECG signals with complex clinical queries posed in natural language. The scarcity of labeled ECG data coupled with the diverse nature of clinical inquiries presents a significant challenge for developing robust and adaptable ECG diagnostic systems. This work introduces a novel multimodal meta-learning method for few-shot ECG question answering, addressing the challenge of limited labeled data while leveraging the rich knowledge encoded within large language models (LLMs). Our LLM-agnostic approach integrates a pre-trained ECG encoder with a frozen LLM (e.g., LLaMA and Gemma) via a trainable fusion module, enabling the language model to reason about ECG data and generate clinically meaningful answers. Extensive experiments demonstrate superior generalization to unseen diagnostic tasks compared to supervised baselines, achieving notable performance even with limited ECG leads. For instance, in a 5-way 5-shot setting, our method using LLaMA-3.1-8B achieves an accuracy of 84.6%, 77.3%, and 69.6% on single verify, choose and query question types, respectively. These results highlight the potential of our method to enhance clinical ECG interpretation by combining signal processing with the nuanced language understanding capabilities of LLMs, particularly in data-constrained scenarios.
Authors: Dohyun Kim, Pedro Sandoval-Segura
Abstract: The construction of large datasets for deep learning has raised concerns regarding unauthorized use of online data, leading to increased interest in protecting data from third-parties who want to use it for training. The Convolution-based Unlearnable DAtaset (CUDA) method aims to make data unlearnable by applying class-wise blurs to every image in the dataset so that neural networks learn relations between blur kernels and labels, as opposed to informative features for classifying clean data. In this work, we evaluate whether CUDA data remains unlearnable after image sharpening and frequency filtering, finding that this combination of simple transforms improves the utility of CUDA data for training. In particular, we observe a substantial increase in test accuracy over adversarial training for models trained with CUDA unlearnable data from CIFAR-10, CIFAR-100, and ImageNet-100. In training models to high accuracy using unlearnable data, we underscore the need for ongoing refinement in data poisoning techniques to ensure data privacy. Our method opens new avenues for enhancing the robustness of unlearnable datasets by highlighting that simple methods such as sharpening and frequency filtering are capable of breaking convolution-based unlearnable datasets.
Authors: Luciano S. Martinez-Rau, Yuxuan Zhang, Bengt Oelmann, Sebastian Bader
Abstract: Conveyor belts are crucial in mining operations by enabling the continuous and efficient movement of bulk materials over long distances, which directly impacts productivity. While detecting anomalies in specific conveyor belt components has been widely studied, identifying the root causes of these failures, such as changing production conditions and operator errors, remains critical. Continuous monitoring of mining conveyor belt work cycles is still at an early stage and requires robust solutions. Recently, an anomaly detection method for duty cycle operations of a mining conveyor belt has been proposed. Based on its limited performance and unevaluated long-term proper operation, this study proposes two novel methods for classifying normal and abnormal duty cycles. The proposed approaches are pattern recognition systems that make use of threshold-based duty-cycle detection mechanisms, manually extracted features, pattern-matching, and supervised tiny machine learning models. The explored low-computational models include decision tree, random forest, extra trees, extreme gradient boosting, Gaussian naive Bayes, and multi-layer perceptron. A comprehensive evaluation of the former and proposed approaches is carried out on two datasets. Both proposed methods outperform the former method, with the best-performing approach being dataset-dependent. The heuristic rule-based approach achieves the highest performance in the same dataset used for algorithm training, with 97.3% for normal cycles and 80.2% for abnormal cycles. The ML-based approach performs better on a dataset including the effects of machine aging, scoring 91.3% for normal cycles and 67.9% for abnormal cycles. Implemented on two low-power microcontrollers, the methods demonstrate efficient, real-time operation with energy consumption of 13.3 and 20.6 ${\mu}$J during inference. These results offer valuable insights for detecting ...
Authors: Xunye Tian, Liuhua Peng, Zhijian Zhou, Mingming Gong, Arthur Gretton, Feng Liu
Abstract: Learning effective data representations has been crucial in non-parametric two-sample testing. Common approaches will first split data into training and test sets and then learn data representations purely on the training set. However, recent theoretical studies have shown that, as long as the sample indexes are not used during the learning process, the whole data can be used to learn data representations, meanwhile ensuring control of Type-I errors. The above fact motivates us to use the test set (but without sample indexes) to facilitate the data representation learning in the testing. To this end, we propose a representation-learning two-sample testing (RL-TST) framework. RL-TST first performs purely self-supervised representation learning on the entire dataset to capture inherent representations (IRs) that reflect the underlying data manifold. A discriminative model is then trained on these IRs to learn discriminative representations (DRs), enabling the framework to leverage both the rich structural information from IRs and the discriminative power of DRs. Extensive experiments demonstrate that RL-TST outperforms representative approaches by simultaneously using data manifold information in the test set and enhancing test power via finding the DRs with the training set.
Authors: Zhongtian Ma, Qiaosheng Zhang, Bocheng Zhou, Yexin Zhang, Shuyue Hu, Zhen Wang
Abstract: Despite the growing popularity of graph attention mechanisms, their theoretical understanding remains limited. This paper aims to explore the conditions under which these mechanisms are effective in node classification tasks through the lens of Contextual Stochastic Block Models (CSBMs). Our theoretical analysis reveals that incorporating graph attention mechanisms is \emph{not universally beneficial}. Specifically, by appropriately defining \emph{structure noise} and \emph{feature noise} in graphs, we show that graph attention mechanisms can enhance classification performance when structure noise exceeds feature noise. Conversely, when feature noise predominates, simpler graph convolution operations are more effective. Furthermore, we examine the over-smoothing phenomenon and show that, in the high signal-to-noise ratio (SNR) regime, graph convolutional networks suffer from over-smoothing, whereas graph attention mechanisms can effectively resolve this issue. Building on these insights, we propose a novel multi-layer Graph Attention Network (GAT) architecture that significantly outperforms single-layer GATs in achieving \emph{perfect node classification} in CSBMs, relaxing the SNR requirement from $ \omega(\sqrt{\log n}) $ to $ \omega(\sqrt{\log n} / \sqrt[3]{n}) $. To our knowledge, this is the first study to delineate the conditions for perfect node classification using multi-layer GATs. Our theoretical contributions are corroborated by extensive experiments on both synthetic and real-world datasets, highlighting the practical implications of our findings.
Authors: Huanran Chen, Yinpeng Dong, Zeming Wei, Hang Su, Jun Zhu
Abstract: Recent studies have revealed the vulnerability of large language models to adversarial attacks, where adversaries craft specific input sequences to induce harmful, violent, private, or incorrect outputs. In this work, we study their worst-case robustness, i.e., whether an adversarial example exists that leads to such undesirable outputs. We upper bound the worst-case robustness using stronger white-box attacks, indicating that most current deterministic defenses achieve nearly 0\% worst-case robustness. We propose a general tight lower bound for randomized smoothing using fractional knapsack solvers or 0-1 knapsack solvers, and using them to bound the worst-case robustness of all stochastic defenses. Based on these solvers, we provide theoretical lower bounds for several previous empirical defenses. For example, we certify the robustness of a specific case, smoothing using a uniform kernel, against \textit{any possible attack} with an average $\ell_0$ perturbation of 2.02 or an average suffix length of 6.41.
Authors: Kaixi Bao, Chenhao Li, Yarden As, Andreas Krause, Marco Hutter
Abstract: Agents trained via reinforcement learning (RL) often struggle to perform well on tasks that differ from those encountered during training. This limitation presents a challenge to the broader deployment of RL in diverse and dynamic task settings. In this work, we introduce memory augmentation, a memory-based RL approach to improve task generalization. Our approach leverages task-structured augmentations to simulate plausible out-of-distribution scenarios and incorporates memory mechanisms to enable context-aware policy adaptation. Trained on a predefined set of tasks, our policy demonstrates the ability to generalize to unseen tasks through memory augmentation without requiring additional interactions with the environment. Through extensive simulation experiments and real-world hardware evaluations on legged locomotion tasks, we demonstrate that our approach achieves zero-shot generalization to unseen tasks while maintaining robust in-distribution performance and high sample efficiency.
Authors: Weipeng Huang, Qin Li, Yang Xiao, Cheng Qiao, Tie Cai, Junwei Liang, Neil J. Hurley, Guangyuan Piao
Abstract: Noise in data appears to be inevitable in most real-world machine learning applications and would cause severe overfitting problems. Not only can data features contain noise, but labels are also prone to be noisy due to human input. In this paper, rather than noisy label learning in multiclass classifications, we instead focus on the less explored area of noisy label learning for multilabel classifications. Specifically, we investigate the post-correction of predictions generated from classifiers learned with noisy labels. The reasons are two-fold. Firstly, this approach can directly work with the trained models to save computational resources. Secondly, it could be applied on top of other noisy label correction techniques to achieve further improvements. To handle this problem, we appeal to deep generative approaches that are possible for uncertainty estimation. Our model posits that label noise arises from a stochastic shift in the latent variable, providing a more robust and beneficial means for noisy learning. We develop both unsupervised and semi-supervised learning methods for our model. The extensive empirical study presents solid evidence to that our approach is able to consistently improve the independent models and performs better than a number of existing methods across various noisy label settings. Moreover, a comprehensive empirical analysis of the proposed method is carried out to validate its robustness, including sensitivity analysis and an ablation study, among other elements.
Authors: Matthew Barker, Andrew Bell, Evan Thomas, James Carr, Thomas Andrews, Umang Bhatt
Abstract: While Retrieval Augmented Generation (RAG) has emerged as a popular technique for improving Large Language Model (LLM) systems, it introduces a large number of choices, parameters and hyperparameters that must be made or tuned. This includes the LLM, embedding, and ranker models themselves, as well as hyperparameters governing individual RAG components. Yet, collectively optimizing the entire configuration in a RAG or LLM system remains under-explored - especially in multi-objective settings - due to intractably large solution spaces, noisy objective evaluations, and the high cost of evaluations. In this work, we introduce the first approach for multi-objective parameter optimization of cost, latency, safety and alignment over entire LLM and RAG systems. We find that Bayesian optimization methods significantly outperform baseline approaches, obtaining a superior Pareto front on two new RAG benchmark tasks. We conclude our work with important considerations for practitioners who are designing multi-objective RAG systems, highlighting nuances such as how optimal configurations may not generalize across tasks and objectives.
Authors: Zhanpeng He, Yifeng Cao, Matei Ciocarlie
Abstract: Human-in-the-loop (HitL) robot deployment has gained significant attention in both academia and industry as a semi-autonomous paradigm that enables human operators to intervene and adjust robot behaviors at deployment time, improving success rates. However, continuous human monitoring and intervention can be highly labor-intensive and impractical when deploying a large number of robots. To address this limitation, we propose a method that allows diffusion policies to actively seek human assistance only when necessary, reducing reliance on constant human oversight. To achieve this, we leverage the generative process of diffusion policies to compute an uncertainty-based metric based on which the autonomous agent can decide to request operator assistance at deployment time, without requiring any operator interaction during training. Additionally, we show that the same method can be used for efficient data collection for fine-tuning diffusion policies in order to improve their autonomous performance. Experimental results from simulated and real-world environments demonstrate that our approach enhances policy performance during deployment for a variety of scenarios.
Authors: Mohammad Partohaghighi, Roummel Marcia, YangQuan Chen
Abstract: Fractional-order stochastic gradient descent (FOSGD) leverages fractional exponents to capture long-memory effects in optimization. However, its utility is often limited by the difficulty of tuning and stabilizing these exponents. We propose 2SED Fractional-Order Stochastic Gradient Descent (2SEDFOSGD), which integrates the Two-Scale Effective Dimension (2SED) algorithm with FOSGD to adapt the fractional exponent in a data-driven manner. By tracking model sensitivity and effective dimensionality, 2SEDFOSGD dynamically modulates the exponent to mitigate oscillations and hasten convergence. Theoretically, this approach preserves the advantages of fractional memory without the sluggish or unstable behavior observed in na\"ive fractional SGD. Empirical evaluations in Gaussian and $\alpha$-stable noise scenarios using an autoregressive (AR) model\textcolor{red}{, as well as on the MNIST and CIFAR-100 datasets for image classification,} highlight faster convergence and more robust parameter estimates compared to baseline methods, underscoring the potential of dimension-aware fractional techniques for advanced modeling and estimation tasks.
Authors: Viet Thanh Duy Nguyen, Truong-Son Hy
Abstract: Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical structures, and diverse functions is essential for advancing our understanding of life at the molecular level. Protein Representation Learning (PRL) has emerged as a transformative approach, enabling the extraction of meaningful computational representations from protein data to address these challenges. In this paper, we provide a comprehensive review of PRL research, categorizing methodologies into five key areas: feature-based, sequence-based, structure-based, multimodal, and complex-based approaches. To support researchers in this rapidly evolving field, we introduce widely used databases for protein sequences, structures, and functions, which serve as essential resources for model development and evaluation. We also explore the diverse applications of these approaches in multiple domains, demonstrating their broad impact. Finally, we discuss pressing technical challenges and outline future directions to advance PRL, offering insights to inspire continued innovation in this foundational field.
Authors: Wangtao Sun, Xiang Cheng, Xing Yu, Haotian Xu, Zhao Yang, Shizhu He, Jun Zhao, Kang Liu
Abstract: Reinforcement Learning from Human Feedback (RLHF) has emerged as a critical technique for training large language models. However, reward hacking-a phenomenon where models exploit flaws in the reward model-remains a significant barrier to achieving robust and scalable intelligence through long-term training. Existing studies have proposed the uncertain reward models to address reward hacking, however, they often lack systematic or theoretical foundations, failing to model the uncertainty intrinsically emerging from preference data, and thus cannot sufficiently mitigate reward hacking to sustain prolonged RLHF training and exploration. In this paper, we propose a Probabilistic Uncertain Reward Model (PURM), a natural generalization of the classical Bradley-Terry reward model, that can directly learn the reward distribution emerged from the preference data. We theoretically derived PURM's loss function and the uncertainty of the reward distribution. To mitigate reward hacking with PURM, we further introduce an uncertainty-aware penalty into Proximal Policy Optimization (PPO), which leverages the learned uncertainty to dynamically balance reward optimization and exploration. Experimental results demonstrate that PURM significantly delays the onset of reward hacking while improving final performance compared with existing methods. We also find that PURM genuinely produce sound reward and uncertainty estimations. The data and code of this paper can be found at https://anonymous.4open.science/r/Probabilistic-Uncertain-Reward-Model/
URLs: https://anonymous.4open.science/r/Probabilistic-Uncertain-Reward-Model/
Authors: Jeffrey Li, Mohammadreza Armandpour, Iman Mirzadeh, Sachin Mehta, Vaishaal Shankar, Raviteja Vemulapalli, Samy Bengio, Oncel Tuzel, Mehrdad Farajtabar, Hadi Pouransari, Fartash Faghri
Abstract: Large Language Models (LLMs) trained on historical web data inevitably become outdated. We investigate evaluation strategies and update methods for LLMs as new data becomes available. We introduce a web-scale dataset for time-continual pretraining of LLMs derived from 114 dumps of Common Crawl (CC) - orders of magnitude larger than previous continual language modeling benchmarks. We also design time-stratified evaluations across both general CC data and specific domains (Wikipedia, StackExchange, and code documentation) to assess how well various continual learning methods adapt to new data while retaining past knowledge. Our findings demonstrate that, on general CC data, autoregressive meta-schedules combined with a fixed-ratio replay of older data can achieve comparable held-out loss to re-training from scratch, while requiring significantly less computation (2.6x). However, the optimal balance between incorporating new data and replaying old data differs as replay is crucial to avoid forgetting on generic web data but less so on specific domains.
Authors: Jakob Schoeffer, Maria De-Arteaga, Jonathan Elmer
Abstract: The design of AI systems to assist human decision-making typically requires the availability of labels to train and evaluate supervised models. Frequently, however, these labels are unknown, and different ways of estimating them involve unverifiable assumptions or arbitrary choices. In this work, we introduce the concept of label indeterminacy and derive important implications in high-stakes AI-assisted decision-making. We present an empirical study in a healthcare context, focusing specifically on predicting the recovery of comatose patients after resuscitation from cardiac arrest. Our study shows that label indeterminacy can result in models that perform similarly when evaluated on patients with known labels, but vary drastically in their predictions for patients where labels are unknown. After demonstrating crucial ethical implications of label indeterminacy in this high-stakes context, we discuss takeaways for evaluation, reporting, and design.
Authors: Haozhe Wang, Chao Qu, Zuming Huang, Wei Chu, Fangzhen Lin, Wenhu Chen
Abstract: Recently, slow-thinking systems like GPT-o1 and DeepSeek-R1 have demonstrated great potential in solving challenging problems through explicit reflection. They significantly outperform the best fast-thinking models, such as GPT-4o, on various math and science benchmarks. However, their multimodal reasoning capabilities remain on par with fast-thinking models. For instance, GPT-o1's performance on benchmarks like MathVista, MathVerse, and MathVision is similar to fast-thinking models. In this paper, we aim to enhance the slow-thinking capabilities of vision-language models using reinforcement learning (without relying on distillation) to advance the state of the art. First, we adapt the GRPO algorithm with a novel technique called Selective Sample Replay (SSR) to address the vanishing advantages problem. While this approach yields strong performance, the resulting RL-trained models exhibit limited self-reflection or self-verification. To further encourage slow-thinking, we introduce Forced Rethinking, which appends a rethinking trigger token to the end of rollouts in RL training, explicitly enforcing a self-reflection reasoning step. By combining these two techniques, our model, VL-Rethinker, advances state-of-the-art scores on MathVista, MathVerse to achieve 80.4%, 63.5% respectively. VL-Rethinker also achieves open-source SoTA on multi-disciplinary benchmarks such as MathVision, MMMU-Pro, EMMA, and MEGA-Bench, narrowing the gap with OpenAI-o1. Our empirical results show the effectiveness of our approaches.
Authors: Niels M\"undler, Jingxuan He, Hao Wang, Koushik Sen, Dawn Song, Martin Vechev
Abstract: Large language models (LLMs) have achieved notable success in code generation. However, they still frequently produce uncompilable output because their next-token inference procedure does not model formal aspects of code. Although constrained decoding is a promising approach to alleviate this issue, it has only been applied to handle either domain-specific languages or syntactic features of general-purpose programming languages. However, LLMs frequently generate code with typing errors, which are beyond the domain of syntax and generally hard to adequately constrain. To address this challenge, we introduce a type-constrained decoding approach that leverages type systems to guide code generation. For this purpose, we develop novel prefix automata and a search over inhabitable types, forming a sound approach to enforce well-typedness on LLM-generated code. We formalize our approach on a foundational simply-typed language and extend it to TypeScript to demonstrate practicality. Our evaluation on the HumanEval and MBPP datasets shows that our approach reduces compilation errors by more than half and significantly increases functional correctness in code synthesis, translation, and repair tasks across LLMs of various sizes and model families, including state-of-the-art open-weight models with more than 30B parameters. The results demonstrate the generality and effectiveness of our approach in constraining LLM code generation with formal rules of type systems.
Authors: Jo-Ku Cheng, Zeren Zhang, Ran Chen, Jingyang Deng, Ziran Qin, Jinwen Ma
Abstract: We propose GeoUni, the first unified geometry expert model capable of generating problem solutions and diagrams within a single framework in a way that enables the creation of unique and individualized geometry problems. Traditionally, solving geometry problems and generating diagrams have been treated as separate tasks in machine learning, with no models successfully integrating both to support problem creation. However, we believe that mastery in geometry requires frictionless integration of all of these skills, from solving problems to visualizing geometric relationships, and finally, crafting tailored problems. Our extensive experiments demonstrate that GeoUni, with only 1.5B parameters, achieves performance comparable to larger models such as DeepSeek-R1 with 671B parameters in geometric reasoning tasks. GeoUni also excels in generating precise geometric diagrams, surpassing both text-to-image models and unified models, including the GPT-4o image generation. Most importantly, GeoUni is the only model capable of successfully generating textual problems with matching diagrams based on specific knowledge points, thus offering a wider range of capabilities that extend beyond current models.
Authors: Gr\'egory Bournassenko
Abstract: This article investigates the use of Machine Learning and Deep Learning models in multivariate time series analysis within financial markets. It compares small and big data approaches, focusing on their distinct challenges and the benefits of scaling. Traditional methods such as SVMs are contrasted with modern architectures like ConvTimeNet. The results show the importance of using and understanding Big Data in depth in the analysis and prediction of financial time series.
Authors: Adam Younsi, Abdalgader Abubaker, Mohamed El Amine Seddik, Hakim Hacid, Salem Lahlou
Abstract: Achieving both accuracy and diverse reasoning remains challenging for Large Language Models (LLMs) in complex domains like mathematics. A key bottleneck is evaluating intermediate reasoning steps to guide generation without costly human annotations. To address this, we first introduce a novel Process Reward Model (PRM) trained automatically using Monte Carlo Tree Search coupled with a similarity-based data augmentation technique, effectively capturing step-level reasoning quality. Leveraging this PRM, we then adapt Generative Flow Networks (GFlowNets) to operate at the reasoning step level. Unlike traditional reinforcement learning focused on maximizing a single reward, GFlowNets naturally sample diverse, high-quality solutions proportional to their rewards, as measured by our PRM. Empirical evaluation shows strong improvements in both accuracy and solution diversity on challenging mathematical benchmarks (e.g., +2.59% absolute accuracy on MATH Level 5 for Llama3.2-3B), with effective generalization to unseen datasets (+9.4% absolute on SAT MATH). Our work demonstrates the potential of PRM-guided, step-level GFlowNets for developing more robust and versatile mathematical reasoning in LLMs.
Authors: Sanjay Surendranath Girija, Shashank Kapoor, Lakshit Arora, Dipen Pradhan, Aman Raj, Ankit Shetgaonkar
Abstract: Large Language Models (LLMs) have revolutionized many areas of artificial intelligence (AI), but their substantial resource requirements limit their deployment on mobile and edge devices. This survey paper provides a comprehensive overview of techniques for compressing LLMs to enable efficient inference in resource-constrained environments. We examine three primary approaches: Knowledge Distillation, Model Quantization, and Model Pruning. For each technique, we discuss the underlying principles, present different variants, and provide examples of successful applications. We also briefly discuss complementary techniques such as mixture-of-experts and early-exit strategies. Finally, we highlight promising future directions, aiming to provide a valuable resource for both researchers and practitioners seeking to optimize LLMs for edge deployment.
Authors: Yunfeng Ge, Jiawei Li, Yiji Zhao, Haomin Wen, Zhao Li, Meikang Qiu, Hongyan Li, Ming Jin, Shirui Pan
Abstract: Text-to-Time Series generation holds significant potential to address challenges such as data sparsity, imbalance, and limited availability of multimodal time series datasets across domains. While diffusion models have achieved remarkable success in Text-to-X (e.g., vision and audio data) generation, their use in time series generation remains in its nascent stages. Existing approaches face two critical limitations: (1) the lack of systematic exploration of general-proposed time series captions, which are often domain-specific and struggle with generalization; and (2) the inability to generate time series of arbitrary lengths, limiting their applicability to real-world scenarios. In this work, we first categorize time series captions into three levels: point-level, fragment-level, and instance-level. Additionally, we introduce a new fragment-level dataset containing over 600,000 high-resolution time series-text pairs. Second, we propose Text-to-Series (T2S), a diffusion-based framework that bridges the gap between natural language and time series in a domain-agnostic manner. T2S employs a length-adaptive variational autoencoder to encode time series of varying lengths into consistent latent embeddings. On top of that, T2S effectively aligns textual representations with latent embeddings by utilizing Flow Matching and employing Diffusion Transformer as the denoiser. We train T2S in an interleaved paradigm across multiple lengths, allowing it to generate sequences of any desired length. Extensive evaluations demonstrate that T2S achieves state-of-the-art performance across 13 datasets spanning 12 domains.
Authors: Fabien Casenave, Xavier Roynard, Brian Staber, William Piat, Michele Alessandro Bucci, Nissrine Akkari, Abbas Kabalan, Xuan Minh Vuong Nguyen, Luca Saverio, Rapha\"el Carpintero Perez, Anthony Kalaydjian, Samy Fouch\'e, Thierry Gonon, Ghassan Najjar, Emmanuel Menier, Matthieu Nastorg, Giovanni Catalani, Christian Rey
Abstract: Machine learning-based surrogate models have emerged as a powerful tool to accelerate simulation-driven scientific workflows. However, their widespread adoption is hindered by the lack of large-scale, diverse, and standardized datasets tailored to physics-based simulations. While existing initiatives provide valuable contributions, many are limited in scope-focusing on specific physics domains, relying on fragmented tooling, or adhering to overly simplistic datamodels that restrict generalization. To address these limitations, we introduce PLAID (Physics-Learning AI Datamodel), a flexible and extensible framework for representing and sharing datasets of physics simulations. PLAID defines a unified standard for describing simulation data and is accompanied by a library for creating, reading, and manipulating complex datasets across a wide range of physical use cases (gitlab.com/drti/plaid). We release six carefully crafted datasets under the PLAID standard, covering structural mechanics and computational fluid dynamics, and provide baseline benchmarks using representative learning methods. Benchmarking tools are made available on Hugging Face, enabling direct participation by the community and contribution to ongoing evaluation efforts (huggingface.co/PLAIDcompetitions).
Authors: Sy-Tuyen Ho, Koh Jun Hao, Ngoc-Bao Nguyen, Alexander Binder, Ngai-Man Cheung
Abstract: Model Inversion (MI) attacks aim to reconstruct information of private training data by exploiting access to machine learning models. The most common evaluation framework for MI attacks/defenses relies on an evaluation model that has been utilized to assess progress across almost all MI attacks and defenses proposed in recent years. In this paper, for the first time, we present an in-depth study of MI evaluation. Firstly, we construct the first comprehensive human-annotated dataset of MI attack samples, based on 28 setups of different MI attacks, defenses, private and public datasets. Secondly, using our dataset, we examine the accuracy of the MI evaluation framework and reveal that it suffers from a significant number of false positives. These findings raise questions about the previously reported success rates of SOTA MI attacks. Thirdly, we analyze the causes of these false positives, design controlled experiments, and discover the surprising effect of Type I adversarial features on MI evaluation, as well as adversarial transferability, highlighting a relationship between two previously distinct research areas. Our findings suggest that the performance of SOTA MI attacks has been overestimated, with the actual privacy leakage being significantly less than previously reported. In conclusion, we highlight critical limitations in the widely used MI evaluation framework and present our methods to mitigate false positive rates. We remark that prior research has shown that Type I adversarial attacks are very challenging, with no existing solution. Therefore, we urge to consider human evaluation as a primary MI evaluation framework rather than merely a supplement as in previous MI research. We also encourage further work on developing more robust and reliable automatic evaluation frameworks.
Authors: Emanuele Zappala, Alice Giola, Andreas Kramer, Enrico Greco
Abstract: Deep learning has shown high performance on spectroscopic inverse problems when sufficient data is available. However, it is often the case that data in spectroscopy is scarce, and this usually causes severe overfitting problems with deep learning methods. Traditional machine learning methods are viable when datasets are smaller, but the accuracy and applicability of these methods is generally more limited. We introduce a deep learning method for classification of molecular spectra based on learning integral operators via integral equations of the first kind, which results in an algorithm that is less affected by overfitting issues on small datasets, compared to other deep learning models. The problem formulation of the deep learning approach is based on inverse problems, which have traditionally found important applications in spectroscopy. We perform experiments on real world data to showcase our algorithm. It is seen that the model outperforms traditional machine learning approaches such as decision tree and support vector machine, and for small datasets it outperforms other deep learning models. Therefore, our methodology leverages the power of deep learning, still maintaining the performance when the available data is very limited, which is one of the main issues that deep learning faces in spectroscopy, where datasets are often times of small size.
Authors: LG AI Research, Sehyun Chun, Jiye Kim, Ahra Jo, Yeonsik Jo, Seungyul Oh, Seungjun Lee, Kwangrok Ryoo, Jongmin Lee, Seung Hwan Kim, Byung Jun Kang, Soonyoung Lee, Jun Ha Park, Chanwoo Moon, Jiwon Ham, Haein Lee, Heejae Han, Jaeseung Byun, Soojong Do, Minju Ha, Dongyun Kim, Kyunghoon Bae, Woohyung Lim, Edward Hwayoung Lee, Yongmin Park, Jeongsang Yu, Gerrard Jeongwon Jo, Yeonjung Hong, Kyungjae Yoo, Sehui Han, Jaewan Lee, Changyoung Park, Kijeong Jeon, Sihyuk Yi
Abstract: The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep learning framework that unifies molecule detection, reaction diagram parsing, and optical chemical structure recognition (OCSR) into a single pipeline for automating the extraction of chemical data directly from page-level documents. Recognizing the lack of a standard page-level benchmark and evaluation metric, we also present a testset of 550 pages annotated with molecule bounding boxes, reaction labels, and MOLfiles, along with a novel evaluation metric. Experimental results demonstrate that MolMole outperforms existing toolkits on both our benchmark and public datasets. The benchmark testset will be publicly available, and the MolMole toolkit will be accessible soon through an interactive demo on the LG AI Research website. For commercial inquiries, please contact us at \href{mailto:contact_ddu@lgresearch.ai}{contact\_ddu@lgresearch.ai}.
Authors: Devan Selvaraj
Abstract: The muon optimizer has picked up much attention as of late as a possible replacement to the seemingly omnipresent Adam optimizer. Recently, care has been taken to document the scaling laws of hyper-parameters under muon such as weight decay and learning rate. However, at much larger scales the iterative orthogonalization procedure present in muon may suffer a possible issue as the singular values of random matrices shrink with scale. This paper shows this scaling behavior theoretically and empirically on random matrices but does not suggest what to do about it.
Authors: Ben Tu, Nikolas Kantas, Robert M. Lee, Behrang Shafei
Abstract: The goal of multi-objective optimisation is to identify a collection of points which describe the best possible trade-offs between the multiple objectives. In order to solve this vector-valued optimisation problem, practitioners often appeal to the use of scalarisation functions in order to transform the multi-objective problem into a collection of single-objective problems. This set of scalarised problems can then be solved using traditional single-objective optimisation techniques. In this work, we formalise this convention into a general mathematical framework. We show how this strategy effectively recasts the original multi-objective optimisation problem into a single-objective optimisation problem defined over sets. An appropriate class of objective functions for this new problem are the R2 utilities, which are utility functions that are defined as a weighted integral over the scalarised optimisation problems. As part of our work, we show that these utilities are monotone and submodular set functions which can be optimised effectively using greedy optimisation algorithms. We then analyse the performance of these greedy algorithms both theoretically and empirically. Our analysis largely focusses on Bayesian optimisation, which is a popular probabilistic framework for black-box optimisation.
Authors: Qijie Ding, Jie Yin, Daokun Zhang, Junbin Gao
Abstract: Entity alignment (EA) aims at identifying equivalent entity pairs across different knowledge graphs (KGs) that refer to the same real-world identity. To circumvent the shortage of seed alignments provided for training, recent EA models utilize pseudo-labeling strategies to iteratively add unaligned entity pairs predicted with high confidence to the seed alignments for model training. However, the adverse impact of confirmation bias during pseudo-labeling has been largely overlooked, thus hindering entity alignment performance. To systematically combat confirmation bias for pseudo-labeling-based entity alignment, we propose a Unified Pseudo-Labeling framework for Entity Alignment (UPL-EA) that explicitly eliminates pseudo-labeling errors to boost the accuracy of entity alignment. UPL-EA consists of two complementary components: (1) Optimal Transport (OT)-based pseudo-labeling uses discrete OT modeling as an effective means to determine entity correspondences and reduce erroneous matches across two KGs. An effective criterion is derived to infer pseudo-labeled alignments that satisfy one-to-one correspondences; (2) Parallel pseudo-label ensembling refines pseudo-labeled alignments by combining predictions over multiple models independently trained in parallel. The ensembled pseudo-labeled alignments are thereafter used to augment seed alignments to reinforce subsequent model training for alignment inference. The effectiveness of UPL-EA in eliminating pseudo-labeling errors is both theoretically supported and experimentally validated. Our extensive results and in-depth analyses demonstrate the superiority of UPL-EA over 15 competitive baselines and its utility as a general pseudo-labeling framework for entity alignment.
Authors: Hristo G. Chipilski
Abstract: The majority of data assimilation (DA) methods in the geosciences are based on Gaussian assumptions. While these assumptions facilitate efficient algorithms, they cause analysis biases and subsequent forecast degradations. Non-parametric, particle-based DA algorithms have superior accuracy, but their application to high-dimensional models still poses operational challenges. Drawing inspiration from recent advances in the field of generative artificial intelligence (AI), this article introduces a new nonlinear estimation theory which attempts to bridge the existing gap in DA methodology. Specifically, a Conjugate Transform Filter (CTF) is derived and shown to generalize the celebrated Kalman filter to arbitrarily non-Gaussian distributions. The new filter has several desirable properties, such as its ability to preserve statistical relationships in the prior state and convergence to highly accurate observations. An ensemble approximation of the new theory (ECTF) is also presented and validated using idealized statistical experiments that feature bounded quantities with non-Gaussian distributions, a prevalent challenge in Earth system models. Results from these experiments indicate that the greatest benefits from ECTF occur when observation errors are small relative to the forecast uncertainty and when state variables exhibit strong nonlinear dependencies. Ultimately, the new filtering theory offers exciting avenues for improving conventional DA algorithms through their principled integration with AI techniques.
Authors: Georgi Ganev, Emiliano De Cristofaro
Abstract: Generative models producing synthetic data are meant to provide a privacy-friendly approach to releasing data. However, their privacy guarantees are only considered robust when models satisfy Differential Privacy (DP). Alas, this is not a ubiquitous standard, as many leading companies (and, in fact, research papers) use ad-hoc privacy metrics based on testing the statistical similarity between synthetic and real data. In this paper, we examine the privacy metrics used in real-world synthetic data deployments and demonstrate their unreliability in several ways. First, we provide counter-examples where severe privacy violations occur even if the privacy tests pass and instantiate accurate membership and attribute inference attacks with minimal cost. We then introduce ReconSyn, a reconstruction attack that generates multiple synthetic datasets that are considered private by the metrics but actually leak information unique to individual records. We show that ReconSyn recovers 78-100% of the outliers in the train data with only black-box access to a single fitted generative model and the privacy metrics. In the process, we show that applying DP only to the model does not mitigate this attack, as using privacy metrics breaks the end-to-end DP pipeline.
Authors: Min Dai, Yuchao Dong, Yanwei Jia, Xun Yu Zhou
Abstract: We study Merton's expected utility maximization problem in an incomplete market, characterized by a factor process in addition to the stock price process, where all the model primitives are unknown. The agent under consideration is a price taker who has access only to the stock and factor value processes and the instantaneous volatility. We propose an auxiliary problem in which the agent can invoke policy randomization according to a specific class of Gaussian distributions, and prove that the mean of its optimal Gaussian policy solves the original Merton problem. With randomized policies, we are in the realm of continuous-time reinforcement learning (RL) recently developed in Wang et al. (2020) and Jia and Zhou (2022a, 2022b, 2023), enabling us to solve the auxiliary problem in a data-driven way without having to estimate the model primitives. Specifically, we establish a policy improvement theorem based on which we design both online and offline actor-critic RL algorithms for learning Merton's strategies. A key insight from this study is that RL in general and policy randomization in particular are useful beyond the purpose for exploration -- they can be employed as a technical tool to solve a problem that cannot be otherwise solved by mere deterministic policies. At last, we carry out both simulation and empirical studies in a stochastic volatility environment to demonstrate the decisive outperformance of the devised RL algorithms in comparison to the conventional model-based, plug-in method.
Authors: Yan Jia, Yuxin Song, Zihou Liu, Qingyin Tan, Yang Song, Yu Zhang, Zheli Liu
Abstract: The Consumer Internet of Things (CIoT), a notable segment within the IoT domain, involves the integration of IoT technology into consumer electronics and devices, such as smart homes and smart wearables. Compared to traditional IoT fields, CIoT differs notably in target users, product types, and design approaches. While offering convenience to users, it also raises new security and privacy concerns. Network traffic analysis, a widely used technique in the security community, has been extensively applied to investigate these concerns about CIoT. Compared to traditional network traffic analysis in fields like mobile apps and websites, CIoT introduces unique characteristics that pose new challenges and research opportunities. Researchers have made significant contributions in this area. To aid researchers in understanding the application of traffic analysis tools for assessing CIoT security and privacy risks, this survey reviews 310 publications on traffic analysis within the CIoT security and privacy domain from January 2018 to June 2024, focusing on three research questions. Our work: 1) outlines the CIoT traffic analysis process and highlights its differences from general network traffic analysis. 2) summarizes and classifies existing research into four categories according to its application objectives: device fingerprinting, user activity inference, malicious traffic detection, and measurement. 3) explores emerging challenges and potential future research directions based on each step of the CIoT traffic analysis process. This will provide new insights to the community and guide the industry towards safer product designs.
Authors: Yan Pei, Wei Luo
Abstract: Although deep learning algorithms have proven their efficiency in automatic sleep staging, the widespread skepticism about their "black-box" nature has limited its clinical acceptance. In this study, we propose WaveSleepNet, an interpretable neural network for sleep staging that reasons in a similar way to sleep experts. In this network, we utilize the latent space representations generated during training to identify characteristic wave prototypes corresponding to different sleep stages. The feature representation of an input signal is segmented into patches within the latent space, each of which is compared against the learned wave prototypes. The proximity between these patches and the wave prototypes is quantified through scores, indicating the prototypes' presence and relative proportion within the signal. The scores are served as the decision-making criteria for final sleep staging. During training, an ensemble of loss functions is employed for the prototypes' diversity and robustness. Furthermore, the learned wave prototypes are visualized by analysing occlusion sensitivity. The efficacy of WaveSleepNet is validated across three public datasets, achieving sleep staging performance that are on par with the state-of-the-art models when several WaveSleepNets are combine into a larger network. A detailed case study examined the decision-making process of the WaveSleepNet which aligns closely with American Academy of Sleep Medicine (AASM) manual guidelines. Another case study systematically explained the misidentified reason behind each sleep stage. WaveSleepNet's transparent process provides specialists with direct access to the physiological significance of its criteria, allowing for future adaptation or enrichment by sleep experts.
Authors: Martin Larocca, Supanut Thanasilp, Samson Wang, Kunal Sharma, Jacob Biamonte, Patrick J. Coles, Lukasz Cincio, Jarrod R. McClean, Zo\"e Holmes, M. Cerezo
Abstract: Variational quantum computing offers a flexible computational paradigm with applications in diverse areas. However, a key obstacle to realizing their potential is the Barren Plateau (BP) phenomenon. When a model exhibits a BP, its parameter optimization landscape becomes exponentially flat and featureless as the problem size increases. Importantly, all the moving pieces of an algorithm -- choices of ansatz, initial state, observable, loss function and hardware noise -- can lead to BPs when ill-suited. Due to the significant impact of BPs on trainability, researchers have dedicated considerable effort to develop theoretical and heuristic methods to understand and mitigate their effects. As a result, the study of BPs has become a thriving area of research, influencing and cross-fertilizing other fields such as quantum optimal control, tensor networks, and learning theory. This article provides a comprehensive review of the current understanding of the BP phenomenon.
Authors: Abbi Abdel-Rehim, Hector Zenil, Oghenejokpeme Orhobor, Marie Fisher, Ross J. Collins, Elizabeth Bourne, Gareth W. Fearnley, Emma Tate, Holly X. Smith, Larisa N. Soldatova, Ross D. King
Abstract: Large language models LLMs have transformed AI and achieved breakthrough performance on a wide range of tasks In science the most interesting application of LLMs is for hypothesis formation A feature of LLMs which results from their probabilistic structure is that the output text is not necessarily a valid inference from the training text These are termed hallucinations and are harmful in many applications In science some hallucinations may be useful novel hypotheses whose validity may be tested by laboratory experiments Here we experimentally test the application of LLMs as a source of scientific hypotheses using the domain of breast cancer treatment We applied the LLM GPT4 to hypothesize novel synergistic pairs of FDA-approved noncancer drugs that target the MCF7 breast cancer cell line relative to the nontumorigenic breast cell line MCF10A In the first round of laboratory experiments GPT4 succeeded in discovering three drug combinations out of twelve tested with synergy scores above the positive controls GPT4 then generated new combinations based on its initial results this generated three more combinations with positive synergy scores out of four tested We conclude that LLMs are a valuable source of scientific hypotheses.
Authors: Alexander Soen, Hisham Husain, Philip Schulz, Vu Nguyen
Abstract: Classification with rejection emerges as a learning paradigm which allows models to abstain from making predictions. The predominant approach is to alter the supervised learning pipeline by augmenting typical loss functions, letting model rejection incur a lower loss than an incorrect prediction. Instead, we propose a different distributional perspective, where we seek to find an idealized data distribution which maximizes a pretrained model's performance. This can be formalized via the optimization of a loss's risk with a $\varphi$-divergence regularization term. Through this idealized distribution, a rejection decision can be made by utilizing the density ratio between this distribution and the data distribution. We focus on the setting where our $\varphi$-divergences are specified by the family of $\alpha$-divergence. Our framework is tested empirically over clean and noisy datasets.
Authors: Tao Ge, Xin Chan, Xiaoyang Wang, Dian Yu, Haitao Mi, Dong Yu
Abstract: We propose a novel persona-driven data synthesis methodology that leverages various perspectives within a large language model (LLM) to create diverse synthetic data. To fully exploit this methodology at scale, we introduce Persona Hub -- a collection of 1 billion diverse personas automatically curated from web data. These 1 billion personas (~13% of the world's total population), acting as distributed carriers of world knowledge, can tap into almost every perspective encapsulated within the LLM, thereby facilitating the creation of diverse synthetic data at scale for various scenarios. By showcasing Persona Hub's use cases in synthesizing high-quality mathematical and logical reasoning problems, instructions (i.e., user prompts), knowledge-rich texts, game NPCs and tools (functions) at scale, we demonstrate persona-driven data synthesis is versatile, scalable, flexible, and easy to use, potentially driving a paradigm shift in synthetic data creation and applications in practice, which may have a profound impact on LLM research and development.
Authors: Yasir Ali Farrukh, Syed Wali, Irfan Khan, Nathaniel D. Bastian
Abstract: In the rapidly evolving field of cybersecurity, the integration of flow-level and packet-level information for real-time intrusion detection remains a largely untapped area of research. This paper introduces "XG-NID," a novel framework that, to the best of our knowledge, is the first to fuse flow-level and packet-level data within a heterogeneous graph structure, offering a comprehensive analysis of network traffic. Leveraging a heterogeneous graph neural network (GNN) with graph-level classification, XG-NID uniquely enables real-time inference while effectively capturing the intricate relationships between flow and packet payload data. Unlike traditional GNN-based methodologies that predominantly analyze historical data, XG-NID is designed to accommodate the heterogeneous nature of network traffic, providing a robust and real-time defense mechanism. Our framework extends beyond mere classification; it integrates Large Language Models (LLMs) to generate detailed, human-readable explanations and suggest potential remedial actions, ensuring that the insights produced are both actionable and comprehensible. Additionally, we introduce a new set of flow features based on temporal information, further enhancing the contextual and explainable inferences provided by our model. To facilitate practical application and accessibility, we developed "GNN4ID," an open-source tool that enables the extraction and transformation of raw network traffic into the proposed heterogeneous graph structure, seamlessly integrating flow and packet-level data. Our comprehensive quantitative comparative analysis demonstrates that XG-NID achieves an F1 score of 97\% in multi-class classification, outperforming existing baseline and state-of-the-art methods. This sets a new standard in Network Intrusion Detection Systems by combining innovative data fusion with enhanced interpretability and real-time capabilities.
Authors: Yunze Man, Shuhong Zheng, Zhipeng Bao, Martial Hebert, Liang-Yan Gui, Yu-Xiong Wang
Abstract: Complex 3D scene understanding has gained increasing attention, with scene encoding strategies playing a crucial role in this success. However, the optimal scene encoding strategies for various scenarios remain unclear, particularly compared to their image-based counterparts. To address this issue, we present a comprehensive study that probes various visual encoding models for 3D scene understanding, identifying the strengths and limitations of each model across different scenarios. Our evaluation spans seven vision foundation encoders, including image-based, video-based, and 3D foundation models. We evaluate these models in four tasks: Vision-Language Scene Reasoning, Visual Grounding, Segmentation, and Registration, each focusing on different aspects of scene understanding. Our evaluations yield key findings: DINOv2 demonstrates superior performance, video models excel in object-level tasks, diffusion models benefit geometric tasks, and language-pretrained models show unexpected limitations in language-related tasks. These insights challenge some conventional understandings, provide novel perspectives on leveraging visual foundation models, and highlight the need for more flexible encoder selection in future vision-language and scene-understanding tasks. Code: https://github.com/YunzeMan/Lexicon3D
Authors: Peizhi Wu, Haoshu Xu, Ryan Marcus, Zachary G. Ives
Abstract: Query-driven machine learning models have emerged as a promising estimation technique for query selectivities. Yet, surprisingly little is known about the efficacy of these techniques from a theoretical perspective, as there exist substantial gaps between practical solutions and state-of-the-art (SOTA) theory based on the Probably Approximately Correct (PAC) learning framework. In this paper, we aim to bridge the gaps between theory and practice. First, we demonstrate that selectivity predictors induced by signed measures are learnable, which relaxes the reliance on probability measures in SOTA theory. More importantly, beyond the PAC learning framework (which only allows us to characterize how the model behaves when both training and test workloads are drawn from the same distribution), we establish, under mild assumptions, that selectivity predictors from this class exhibit favorable out-of-distribution (OOD) generalization error bounds. These theoretical advances provide us with a better understanding of both the in-distribution and OOD generalization capabilities of query-driven selectivity learning, and facilitate the design of two general strategies to improve OOD generalization for existing query-driven selectivity models. We empirically verify that our techniques help query-driven selectivity models generalize significantly better to OOD queries both in terms of prediction accuracy and query latency performance, while maintaining their superior in-distribution generalization performance.
Authors: Asad Aali, Andrew Johnston, Louis Blankemeier, Dave Van Veen, Laura T Derry, David Svec, Jason Hom, Robert D. Boutin, Akshay S. Chaudhari
Abstract: Abdominal computed tomography (CT) scans are frequently performed in clinical settings. Opportunistic CT involves repurposing routine CT images to extract diagnostic information and is an emerging tool for detecting underdiagnosed conditions such as sarcopenia, hepatic steatosis, and ascites. This study utilizes deep learning methods to promote accurate diagnosis and clinical documentation. We analyze 2,674 inpatient CT scans to identify discrepancies between imaging phenotypes (characteristics derived from opportunistic CT scans) and their corresponding documentation in radiology reports and ICD coding. Through our analysis, we find that only 0.5%, 3.2%, and 30.7% of scans diagnosed with sarcopenia, hepatic steatosis, and ascites (respectively) through either opportunistic imaging or radiology reports were ICD-coded. Our findings demonstrate opportunistic CT's potential to enhance diagnostic precision and accuracy of risk adjustment models, offering advancements in precision medicine.
Authors: Zayne Sprague, Fangcong Yin, Juan Diego Rodriguez, Dongwei Jiang, Manya Wadhwa, Prasann Singhal, Xinyu Zhao, Xi Ye, Kyle Mahowald, Greg Durrett
Abstract: Chain-of-thought (CoT) via prompting is the de facto method for eliciting reasoning capabilities from large language models (LLMs). But for what kinds of tasks is this extra ``thinking'' really helpful? To analyze this, we conducted a quantitative meta-analysis covering over 100 papers using CoT and ran our own evaluations of 20 datasets across 14 models. Our results show that CoT gives strong performance benefits primarily on tasks involving math or logic, with much smaller gains on other types of tasks. On MMLU, directly generating the answer without CoT leads to almost identical accuracy as CoT unless the question or model's response contains an equals sign, indicating symbolic operations and reasoning. Following this finding, we analyze the behavior of CoT on these problems by separating planning and execution and comparing against tool-augmented LLMs. Much of CoT's gain comes from improving symbolic execution, but it underperforms relative to using a symbolic solver. Our results indicate that CoT can be applied selectively, maintaining performance while saving inference costs. Furthermore, they suggest a need to move beyond prompt-based CoT to new paradigms that better leverage intermediate computation across the whole range of LLM applications.
Authors: Benji Peng, Keyu Chen, Qian Niu, Ziqian Bi, Ming Liu, Pohsun Feng, Tianyang Wang, Lawrence K. Q. Yan, Yizhu Wen, Yichao Zhang, Caitlyn Heqi Yin
Abstract: Large Language Models (LLMs) have transformed artificial intelligence by advancing natural language understanding and generation, enabling applications across fields beyond healthcare, software engineering, and conversational systems. Despite these advancements in the past few years, LLMs have shown considerable vulnerabilities, particularly to prompt injection and jailbreaking attacks. This review analyzes the state of research on these vulnerabilities and presents available defense strategies. We roughly categorize attack approaches into prompt-based, model-based, multimodal, and multilingual, covering techniques such as adversarial prompting, backdoor injections, and cross-modality exploits. We also review various defense mechanisms, including prompt filtering, transformation, alignment techniques, multi-agent defenses, and self-regulation, evaluating their strengths and shortcomings. We also discuss key metrics and benchmarks used to assess LLM safety and robustness, noting challenges like the quantification of attack success in interactive contexts and biases in existing datasets. Identifying current research gaps, we suggest future directions for resilient alignment strategies, advanced defenses against evolving attacks, automation of jailbreak detection, and consideration of ethical and societal impacts. This review emphasizes the need for continued research and cooperation within the AI community to enhance LLM security and ensure their safe deployment.
Authors: Elie Azeraf
Abstract: The Pairwise Markov Chain (PMC) is a probabilistic graphical model extending the well-known Hidden Markov Model. This model, although highly effective for many tasks, has been scarcely utilized for continuous value prediction. This is mainly due to the issue of modeling observations inherent in generative probabilistic models. In this paper, we introduce a new algorithm for prediction with the PMC. On the one hand, this algorithm allows circumventing the feature problem, thus fully exploiting the capabilities of the PMC. On the other hand, it enables the PMC to extend any predictive model by introducing hidden states, updated at each time step, and allowing the introduction of non-stationarity for any model. We apply the PMC with its new algorithm for volatility forecasting, which we compare to the highly popular GARCH(1,1) and feedforward neural models across numerous pairs. This is particularly relevant given the regime changes that we can observe in volatility. For each scenario, our algorithm enhances the performance of the extended model, demonstrating the value of our approach.
Authors: Luke Bhan, Peijia Qin, Miroslav Krstic, Yuanyuan Shi
Abstract: Predictor feedback designs are critical for delay-compensating controllers in nonlinear systems. However, these designs are limited in practical applications as predictors cannot be directly implemented, but require numerical approximation schemes, which become computationally prohibitive when system dynamics are expensive to compute. To address this challenge, we recast the predictor design as an operator learning problem, and learn the predictor mapping via a neural operator. We prove the existence of an arbitrarily accurate neural operator approximation of the predictor operator. Under the approximated predictor, we achieve semiglobal practical stability of the closed-loop nonlinear delay system. The estimate is semiglobal in a unique sense - one can enlarge the set of initial states as desired, though this increases the difficulty of training a neural operator, which appears practically in the stability estimate. Furthermore, our analysis holds for any black-box predictor satisfying the universal approximation error bound. We demonstrate the approach by controlling a 5-link robotic manipulator with different neural operator models, achieving significant speedups compared to classic predictor feedback schemes while maintaining closed-loop stability.
Authors: Andrew Wagenmaker, Lu Mi, Marton Rozsa, Matthew S. Bull, Karel Svoboda, Kayvon Daie, Matthew D. Golub, Kevin Jamieson
Abstract: Recent advances in techniques for monitoring and perturbing neural populations have greatly enhanced our ability to study circuits in the brain. In particular, two-photon holographic optogenetics now enables precise photostimulation of experimenter-specified groups of individual neurons, while simultaneous two-photon calcium imaging enables the measurement of ongoing and induced activity across the neural population. Despite the enormous space of potential photostimulation patterns and the time-consuming nature of photostimulation experiments, very little algorithmic work has been done to determine the most effective photostimulation patterns for identifying the neural population dynamics. Here, we develop methods to efficiently select which neurons to stimulate such that the resulting neural responses will best inform a dynamical model of the neural population activity. Using neural population responses to photostimulation in mouse motor cortex, we demonstrate the efficacy of a low-rank linear dynamical systems model, and develop an active learning procedure which takes advantage of low-rank structure to determine informative photostimulation patterns. We demonstrate our approach on both real and synthetic data, obtaining in some cases as much as a two-fold reduction in the amount of data required to reach a given predictive power. Our active stimulation design method is based on a novel active learning procedure for low-rank regression, which may be of independent interest.
Authors: Kayvon Mazooji, Ilan Shomorony
Abstract: Clustering is often a challenging problem because of the inherent ambiguity in what the "correct" clustering should be. Even when the number of clusters $K$ is known, this ambiguity often still exists, particularly when there is variation in density among different clusters, and clusters have multiple relatively separated regions of high density. In this paper we propose an information-theoretic characterization of when a $K$-clustering is ambiguous, and design an algorithm that recovers the clustering whenever it is unambiguous. This characterization formalizes the situation when two high density regions within a cluster are separable enough that they look more like two distinct clusters than two truly distinct clusters in the $K$-clustering. The algorithm first identifies $K$ partial clusters (or "seeds") using a density-based approach, and then adds unclustered points to the initial $K$ partial clusters in a greedy manner to form a complete clustering. We implement and test a version of the algorithm that is modified to effectively handle overlapping clusters, and observe that it requires little parameter selection and displays improved performance on many datasets compared to widely used algorithms for non-convex cluster recovery.
Authors: Vignav Ramesh, Kenneth Li
Abstract: Communication between multiple language model (LM) agents has been shown to scale up the reasoning ability of LMs. While natural language has been the dominant medium for inter-LM communication, it is not obvious this should be the standard: not only does natural language communication incur high inference costs that scale quickly with the number of both agents and messages, but also the decoding process abstracts away too much rich information that could be otherwise accessed from the internal activations. In this work, we propose a simple technique whereby LMs communicate via activations; concretely, we pause an LM $\textit{B}$'s computation at an intermediate layer, combine its current activation with another LM $\textit{A}$'s intermediate activation via some function $\textit{f}$, then pass $\textit{f}$'s output into the next layer of $\textit{B}$ and continue the forward pass till decoding is complete. This approach scales up LMs on new tasks with zero additional parameters and data, and saves a substantial amount of compute over natural language communication. We test our method with various functional forms $\textit{f}$ on two experimental setups--multi-player coordination games and reasoning benchmarks--and find that it achieves up to $27.0\%$ improvement over natural language communication across datasets with $<$$1/4$ the compute, illustrating the superiority and robustness of activations as an alternative "language" for communication between LMs.
Authors: Kelly Ramsay, Dylan Spicker
Abstract: We develop a univariate, differentially private mean estimator, called the private modified winsorized mean, designed to be used as the aggregator in subsample-and-aggregate. We demonstrate, via real data analysis, that common differentially private multivariate mean estimators may not perform well as the aggregator, even in large datasets, motivating our developments.We show that the modified winsorized mean is minimax optimal for several, large classes of distributions, even under adversarial contamination. We also demonstrate that, empirically, the private modified winsorized mean performs well compared to other private mean estimates. We consider the modified winsorized mean as the aggregator in subsample-and-aggregate, deriving a finite sample deviations bound for a subsample-and-aggregate estimate generated with the new aggregator. This result yields two important insights: (i) the optimal choice of subsamples depends on the bias of the estimator computed on the subsamples, and (ii) the rate of convergence of the subsample-and-aggregate estimator depends on the robustness of the estimator computed on the subsamples.
Authors: Wang Xinyi, Kang Hongyu, Wei Peishan, Shuai Li, Yu Sun, Sai Kit Lam, Yongping Zheng
Abstract: In this paper, we aim to address the unmet demand for automated prompting and enhanced human-model interactions of SAM and SAM2 for the sake of promoting their widespread clinical adoption. Specifically, we propose Proxy Prompt (PP), auto-generated by leveraging non-target data with a pre-annotated mask. We devise a novel 3-step context-selection strategy for adaptively selecting the most representative contextual information from non-target data via vision mamba and selective maps, empowering the guiding capability of non-target image-mask pairs for segmentation on target image/video data. To reinforce human-model interactions in PP, we further propose a contextual colorization module via a dual-reverse cross-attention to enhance interactions between target features and contextual-embedding with amplifying distinctive features of user-defined object(s). Via extensive evaluations, our method achieves state-of-the-art performance on four public datasets and yields comparable results with fully-trained models, even when trained with only 16 image masks.
Authors: Guancheng Qiu, Mathieu Tanneau, Pascal Van Hentenryck
Abstract: The nonlinear, non-convex AC Optimal Power Flow (AC-OPF) problem is fundamental for power systems operations. The intrinsic complexity of AC-OPF has fueled a growing interest in the development of optimization proxies for the problem, i.e., machine learning models that predict high-quality, close-to-optimal solutions. More recently, dual conic proxy architectures have been proposed, which combine machine learning and convex relaxations of AC-OPF, to provide valid certificates of optimality using learning-based methods. Building on this methodology, this paper proposes, for the first time, a dual conic proxy architecture for the semidefinite (SDP) relaxation of AC-OPF problems. Although the SDP relaxation is stronger than the second-order cone relaxation considered in previous work, its practical use has been hindered by its computational cost. The proposed method combines a neural network with a differentiable dual completion strategy that leverages the structure of the dual SDP problem. This approach guarantees dual feasibility, and therefore valid dual bounds, while providing orders of magnitude of speedups compared to interior-point algorithms. The paper also leverages self-supervised learning, which alleviates the need for time-consuming data generation and allows to train the proposed models efficiently. Numerical experiments are presented on several power grid benchmarks with up to 500 buses. The results demonstrate that the proposed SDP-based proxies can outperform weaker conic relaxations, while providing several orders of magnitude speedups compared to a state-of-the-art interior-point SDP solver.
Authors: Ibrahim Alabdulmohsin, Xiaohua Zhai
Abstract: Inspired by recent findings on the fractal geometry of language, we introduce Recursive INference Scaling (RINS) as a complementary, plug-in recipe for scaling inference time in language and multimodal systems. RINS is a particular form of recursive depth that significantly outperforms +55 other variants, including the recent "repeat-all-over" (RAO) strategy in Mobile LLM (Liu et al., 2024) and latent recurrent thinking (Geiping et al., 2025). Unlike prior works, we carry out our comparisons on a compute-matched regime, and demonstrate that for a fixed model size and training compute budget, RINS substantially improves language modeling performance. It also generalizes beyond pure language tasks, delivering gains in multimodal systems, including a +2% improvement in 0-shot ImageNet accuracy for SigLIP-B/16. Additionally, by deriving data scaling laws, we show that RINS improves both the asymptotic performance limits and the scaling exponents. More importantly, with light-weight (linear) adapters (comprising <1% of model parameters) and stochastic dropout, RINS offers a no-regret strategy, meaning that RINS-enabled pretraining improves performance in language modeling even when recursive depth is not applied at inference time. This corresponds to improving performance on a training compute-, parameter-, and inference-matched regime, suggesting its potential as a viable component of LLM pretraining!
Authors: Jocelyn Dzuong
Abstract: The recent surge in advanced generative models, such as diffusion models and generative adversarial networks (GANs), has led to an alarming rise in AI-generated images across various domains on the web. While such technologies offer benefits such as democratizing artistic creation, they also pose challenges in misinformation, digital forgery, and authenticity verification. Additionally, the uncredited use of AI-generated images in media and marketing has sparked significant backlash from online communities. In response to this, we introduce DejAIvu, a Chrome Web extension that combines real-time AI-generated image detection with saliency-based explainability while users browse the web. Using an ONNX-optimized deep learning model, DejAIvu automatically analyzes images on websites such as Google Images, identifies AI-generated content using model inference, and overlays a saliency heatmap to highlight AI-related artifacts. Our approach integrates efficient in-browser inference, gradient-based saliency analysis, and a seamless user experience, ensuring that AI detection is both transparent and interpretable. We also evaluate DejAIvu across multiple pretrained architectures and benchmark datasets, demonstrating high accuracy and low latency, making it a practical and deployable tool for enhancing AI image accountability. The code for this system can be found at https://github.com/Noodulz/dejAIvu.
Authors: Peizhuo Li, Hongyi Li, Ge Sun, Jin Cheng, Xinrong Yang, Guillaume Bellegarda, Milad Shafiee, Yuhong Cao, Auke Ijspeert, Guillaume Sartoretti
Abstract: Despite recent advances in learning-based controllers for legged robots, deployments in human-centric environments remain limited by safety concerns. Most of these approaches use position-based control, where policies output target joint angles that must be processed by a low-level controller (e.g., PD or impedance controllers) to compute joint torques. Although impressive results have been achieved in controlled real-world scenarios, these methods often struggle with compliance and adaptability when encountering environments or disturbances unseen during training, potentially resulting in extreme or unsafe behaviors. Inspired by how animals achieve smooth and adaptive movements by controlling muscle extension and contraction, torque-based policies offer a promising alternative by enabling precise and direct control of the actuators in torque space. In principle, this approach facilitates more effective interactions with the environment, resulting in safer and more adaptable behaviors. However, challenges such as a highly nonlinear state space and inefficient exploration during training have hindered their broader adoption. To address these limitations, we propose SATA, a bio-inspired framework that mimics key biomechanical principles and adaptive learning mechanisms observed in animal locomotion. Our approach effectively addresses the inherent challenges of learning torque-based policies by significantly improving early-stage exploration, leading to high-performance final policies. Remarkably, our method achieves zero-shot sim-to-real transfer. Our experimental results indicate that SATA demonstrates remarkable compliance and safety, even in challenging environments such as soft/slippery terrain or narrow passages, and under significant external disturbances, highlighting its potential for practical deployments in human-centric and safety-critical scenarios.
Authors: Leonardo Berti, Gjergji Kasneci
Abstract: Price Trend Prediction (PTP) based on Limit Order Book (LOB) data is a fundamental challenge in financial markets. Despite advances in deep learning, existing models fail to generalize across different market conditions and assets. Surprisingly, by adapting a simple MLP-based architecture to LOB, we show that we surpass SoTA performance; thus, challenging the necessity of complex architectures. Unlike past work that shows robustness issues, we propose TLOB, a transformer-based model that uses a dual attention mechanism to capture spatial and temporal dependencies in LOB data. This allows it to adaptively focus on the market microstructure, making it particularly effective for longer-horizon predictions and volatile market conditions. We also introduce a new labeling method that improves on previous ones, removing the horizon bias. We evaluate TLOB's effectiveness across four horizons, using the established FI-2010 benchmark, a NASDAQ and a Bitcoin dataset. TLOB outperforms SoTA methods in every dataset and horizon. Additionally, we empirically show how stock price predictability has declined over time, -6.68 in F1-score, highlighting the growing market efficiency. Predictability must be considered in relation to transaction costs, so we experimented with defining trends using an average spread, reflecting the primary transaction cost. The resulting performance deterioration underscores the complexity of translating trend classification into profitable trading strategies. We argue that our work provides new insights into the evolving landscape of stock price trend prediction and sets a strong foundation for future advancements in financial AI. We release the code at https://github.com/LeonardoBerti00/TLOB.
Authors: Siqi Liu, Ian Gemp, Luke Marris, Georgios Piliouras, Nicolas Heess, Marc Lanctot
Abstract: Evaluation has traditionally focused on ranking candidates for a specific skill. Modern generalist models, such as Large Language Models (LLMs), decidedly outpace this paradigm. Open-ended evaluation systems, where candidate models are compared on user-submitted prompts, have emerged as a popular solution. Despite their many advantages, we show that the current Elo-based rating systems can be susceptible to and even reinforce biases in data, intentional or accidental, due to their sensitivity to redundancies. To address this issue, we propose evaluation as a 3-player game, and introduce novel game-theoretic solution concepts to ensure robustness to redundancy. We show that our method leads to intuitive ratings and provide insights into the competitive landscape of LLM development.
Authors: Jianzhe Xue, Dongcheng Yuan, Zhanxi Ma, Tiankai Jiang, Yu Sun, Haibo Zhou, Xuemin Shen
Abstract: Channel prediction is crucial for high-mobility vehicular networks, as it enables the anticipation of future channel conditions and the proactive adjustment of communication strategies. However, achieving accurate vehicular channel prediction is challenging due to significant Doppler effects and rapid channel variations resulting from high-speed vehicle movement and complex propagation environments. In this paper, we propose a novel delay-Doppler (DD) domain channel prediction framework tailored for high-mobility vehicular networks. By transforming the channel representation into the DD domain, we obtain an intuitive, sparse, and stable depiction that closely aligns with the underlying physical propagation processes, effectively reducing the complex vehicular channel to a set of time-series parameters with enhanced predictability. Furthermore, we leverage the large artificial intelligence (AI) model to predict these DD-domain time-series parameters, capitalizing on their advanced ability to model temporal correlations. The zero-shot capability of the pre-trained large AI model facilitates accurate channel predictions without requiring task-specific training, while subsequent fine-tuning on specific vehicular channel data further improves prediction accuracy. Extensive simulation results demonstrate the effectiveness of our DD-domain channel prediction framework and the superior accuracy of the large AI model in predicting time-series channel parameters, thereby highlighting the potential of our approach for robust vehicular communication systems.
Authors: Zhihao Zhan, Wang Pang, Xiang Zhu, Yechao Bai
Abstract: In this work, we rethink the approach to video super-resolution by introducing a method based on the Diffusion Posterior Sampling framework, combined with an unconditional video diffusion transformer operating in latent space. The video generation model, a diffusion transformer, functions as a space-time model. We argue that a powerful model, which learns the physics of the real world, can easily handle various kinds of motion patterns as prior knowledge, thus eliminating the need for explicit estimation of optical flows or motion parameters for pixel alignment. Furthermore, a single instance of the proposed video diffusion transformer model can adapt to different sampling conditions without re-training. Empirical results on synthetic and real-world datasets illustrate the feasibility of diffusion-based, alignment-free video super-resolution.
Authors: Run He, Di Fang, Yicheng Xu, Yawen Cui, Ming Li, Cen Chen, Ziqian Zeng, Huiping Zhuang
Abstract: Exemplar-Free Class-Incremental Learning (EFCIL) aims to sequentially learn from distinct categories without retaining exemplars but easily suffers from catastrophic forgetting of learned knowledge. While existing EFCIL methods leverage knowledge distillation to alleviate forgetting, they still face two critical challenges: semantic shift and decision bias. Specifically, the embeddings of old tasks shift in the embedding space after learning new tasks, and the classifier becomes biased towards new tasks due to training solely with new data, thereby hindering the balance between old and new knowledge. To address these issues, we propose the Dual-Projection Shift Estimation and Classifier Reconstruction (DPCR) approach for EFCIL. DPCR effectively estimates semantic shift through a dual-projection, which combines a learnable transformation with a row-space projection to capture both task-wise and category-wise shifts. Furthermore, to mitigate decision bias, DPCR employs ridge regression to reformulate classifier training as a reconstruction process. This reconstruction exploits previous information encoded in covariance and prototype of each class after calibration with estimated shift, thereby reducing decision bias. Extensive experiments demonstrate that, across various datasets, DPCR effectively balances old and new tasks, outperforming state-of-the-art EFCIL methods.
Authors: Anzhe Cheng, Chenzhong Yin, Yu Chang, Heng Ping, Shixuan Li, Shahin Nazarian, Paul Bogdan
Abstract: Low-resolution image segmentation is crucial in real-world applications such as robotics, augmented reality, and large-scale scene understanding, where high-resolution data is often unavailable due to computational constraints. To address this challenge, we propose MaskAttn-UNet, a novel segmentation framework that enhances the traditional U-Net architecture via a mask attention mechanism. Our model selectively emphasizes important regions while suppressing irrelevant backgrounds, thereby improving segmentation accuracy in cluttered and complex scenes. Unlike conventional U-Net variants, MaskAttn-UNet effectively balances local feature extraction with broader contextual awareness, making it particularly well-suited for low-resolution inputs. We evaluate our approach on three benchmark datasets with input images rescaled to 128x128 and demonstrate competitive performance across semantic, instance, and panoptic segmentation tasks. Our results show that MaskAttn-UNet achieves accuracy comparable to state-of-the-art methods at significantly lower computational cost than transformer-based models, making it an efficient and scalable solution for low-resolution segmentation in resource-constrained scenarios.
Authors: Jan Bronec (Charles University, Faculty of Mathematics and Physics, Institute of Formal and Applied Linguistics), Jind\v{r}ich Helcl (Charles University, Faculty of Mathematics and Physics, Institute of Formal and Applied Linguistics)
Abstract: We present a submission to the SemEval 2025 shared task on unlearning sensitive content from LLMs. Our approach employs negative preference optimization using low-rank adaptation. We show that we can utilize this combination to efficiently compute additional regularization terms, which help with unlearning stabilization. The results of our approach significantly exceed the shared task baselines.
Authors: Yuheng Ding, Yusong Wang, Bo Qiang, Jie Yu, Qi Li, Yiran Zhou, Zhenmin Liu
Abstract: Natural products, as metabolites from microorganisms, animals, or plants, exhibit diverse biological activities, making them crucial for drug discovery. Nowadays, existing deep learning methods for natural products research primarily rely on supervised learning approaches designed for specific downstream tasks. However, such one-model-for-a-task paradigm often lacks generalizability and leaves significant room for performance improvement. Additionally, existing molecular characterization methods are not well-suited for the unique tasks associated with natural products. To address these limitations, we have pre-trained a foundation model for natural products based on their unique properties. Our approach employs a novel pretraining strategy that is especially tailored to natural products. By incorporating contrastive learning and masked graph learning objectives, we emphasize evolutional information from molecular scaffolds while capturing side-chain information. Our framework achieves state-of-the-art (SOTA) results in various downstream tasks related to natural product mining and drug discovery. We first compare taxonomy classification with synthesized molecule-focused baselines to demonstrate that current models are inadequate for understanding natural synthesis. Furthermore, by diving into a fine-grained analysis at both the gene and microbial levels, NaFM demonstrates the ability to capture evolutionary information. Eventually, our method is experimented with virtual screening, illustrating informative natural product representations that can lead to more effective identification of potential drug candidates.
Authors: Ilayda Yaman, Guoda Tian, Dino Pjanic, Fredrik Tufvesson, Ove Edfors, Zhengya Zhang, Liang Liu
Abstract: Radio-based localization in dynamic environments, such as urban and vehicular settings, requires systems that efficiently adapt to varying signal conditions and environmental changes. Factors like multipath interference and obstructions introduce different levels of complexity that affect the accuracy of the localization. Although generalized models offer broad applicability, they often struggle to capture the nuances of specific environments, leading to suboptimal performance in real-world deployments. In contrast, specialized models can be tailored to particular conditions, enabling more precise localization by effectively handling domain-specific variations, which also results in reduced execution time and smaller model size. However, deploying multiple specialized models requires an efficient mechanism to select the most appropriate one for a given scenario. In this work, we develop an adaptive localization framework that combines shallow attention-based models with a router/switching mechanism based on a single-layer perceptron. This enables seamless transitions between specialized localization models optimized for different conditions, balancing accuracy and computational complexity. We design three low-complex models tailored for distinct scenarios, and a router that dynamically selects the most suitable model based on real-time input characteristics. The proposed framework is validated using real-world vehicle localization data collected from a massive MIMO base station and compared to more general models.
Authors: Edward DongBo Cui, Lu Zhang, William Ping-hsun Lee
Abstract: User and item cold starts present significant challenges in industrial applications of recommendation systems. Supplementing user-item interaction data with metadata is a common solution-but often at the cost of introducing additional biases. In this work, we introduce an augmented EASE model, i.e. FEASE, that seamlessly integrates both user and item side information to address these cold start issues. Our straightforward, autoencoder-based method produces a closed-form solution that leverages rich content signals for cold items while refining user representations in data-sparse environments. Importantly, our method strikes a balance by effectively recommending cold start items and handling cold start users without incurring extra bias, and it maintains strong performance in warm settings. Experimental results demonstrate improved recommendation accuracy and robustness compared to previous collaborative filtering approaches. Moreover, our model serves as a strong baseline for future comparative studies.
Authors: Han Liao, Shuaishuai Zu
Abstract: Knowledge Tracing (KT) is a fundamental task in Intelligent Tutoring Systems (ITS), which aims to model the dynamic knowledge states of students based on their interaction histories. However, existing KT models often rely on a global forgetting decay mechanism for capturing learning patterns, assuming that students' performance is predominantly influenced by their most recent interactions. Such approaches fail to account for the diverse and complex learning patterns arising from individual differences and varying learning stages. To address this limitation, we propose RouterKT, a novel Mixture-of-Experts (MoE) architecture designed to capture heterogeneous learning patterns by enabling experts to specialize in different patterns without any handcrafted learning pattern bias such as forgetting decay. Specifically, RouterKT introduces a \textbf{person-wise routing mechanism} to effectively model individual-specific learning behaviors and employs \textbf{multi-heads as experts} to enhance the modeling of complex and diverse patterns. Comprehensive experiments on ten benchmark datasets demonstrate that RouterKT exhibits significant flexibility and improves the performance of various KT backbone models, with a maximum average AUC improvement of 3.29\% across different backbones and datasets, outperforming other state-of-the-art models. Moreover, RouterKT demonstrates consistently superior inference efficiency compared to existing approaches based on handcrafted learning pattern bias, highlighting its usability for real-world educational applications. The source code is available at https://github.com/ringotc/RouterKT.git.
Authors: Sayed Pouria Talebi, Clive Cheong Took, Danilo P. Mandic
Abstract: This article considers the problem of designing adaption and optimisation techniques for training quantum learning machines. To this end, the division algebra of quaternions is used to derive an effective model for representing computation and measurement operations on qubits. In turn, the derived model, serves as the foundation for formulating an adaptive learning problem on principal quantum learning units, thereby establishing quantum information processing units akin to that of neurons in classical approaches. Then, leveraging the modern HR-calculus, a comprehensive training framework for learning on quantum machines is developed. The quaternion-valued model accommodates mathematical tractability and establishment of performance criteria, such as convergence conditions.
Authors: Max Kirchner, Alexander C. Jenke, Sebastian Bodenstedt, Fiona R. Kolbinger, Oliver L. Saldanha, Jakob N. Kather, Martin Wagner, Stefanie Speidel
Abstract: Purpose: In this study, we investigate the training of foundation models using federated learning to address data-sharing limitations and enable collaborative model training without data transfer for minimally invasive surgery. Methods: Inspired by the EndoViT study, we adapt the Masked Autoencoder for federated learning, enhancing it with adaptive Sharpness-Aware Minimization (FedSAM) and Stochastic Weight Averaging (SWA). Our model is pretrained on the Endo700k dataset collection and later fine-tuned and evaluated for tasks such as Semantic Segmentation, Action Triplet Recognition, and Surgical Phase Recognition. Results: Our findings demonstrate that integrating adaptive FedSAM into the federated MAE approach improves pretraining, leading to a reduction in reconstruction loss per patch. The application of FL-EndoViT in surgical downstream tasks results in performance comparable to CEN-EndoViT. Furthermore, FL-EndoViT exhibits advantages over CEN-EndoViT in surgical scene segmentation when data is limited and in action triplet recognition when large datasets are used. Conclusion: These findings highlight the potential of federated learning for privacy-preserving training of surgical foundation models, offering a robust and generalizable solution for surgical data science. Effective collaboration requires adapting federated learning methods, such as the integration of FedSAM, which can accommodate the inherent data heterogeneity across institutions. In future, exploring FL in video-based models may enhance these capabilities by incorporating spatiotemporal dynamics crucial for real-world surgical environments.
Authors: Malte Luttermann, Jan Speller, Marcel Gehrke, Tanya Braun, Ralf M\"oller, Mattis Hartwig
Abstract: Probabilistic relational models such as parametric factor graphs enable efficient (lifted) inference by exploiting the indistinguishability of objects. In lifted inference, a representative of indistinguishable objects is used for computations. To obtain a relational (i.e., lifted) representation, the Advanced Colour Passing (ACP) algorithm is the state of the art. The ACP algorithm, however, requires underlying distributions, encoded as potential-based factorisations, to exactly match to identify and exploit indistinguishabilities. Hence, ACP is unsuitable for practical applications where potentials learned from data inevitably deviate even if associated objects are indistinguishable. To mitigate this problem, we introduce the $\varepsilon$-Advanced Colour Passing ($\varepsilon$-ACP) algorithm, which allows for a deviation of potentials depending on a hyperparameter $\varepsilon$. $\varepsilon$-ACP efficiently uncovers and exploits indistinguishabilities that are not exact. We prove that the approximation error induced by $\varepsilon$-ACP is strictly bounded and our experiments show that the approximation error is close to zero in practice.
Authors: Daniel Goldstein, Eric Alcaide, Janna Lu, Eugene Cheah
Abstract: We present Rapid Attention Distillation to Linear Attention Decoders at Scale (RADLADS), a protocol for rapidly converting softmax attention transformers into linear attention decoder models, along with two new RWKV-variant architectures, and models converted from popular Qwen2.5 open source models in 7B, 32B, and 72B sizes. Our conversion process requires only 350-700M tokens, less than 0.005% of the token count used to train the original teacher models. Converting to our 72B linear attention model costs less than \$2,000 USD at today's prices, yet quality at inference remains close to the original transformer. These models achieve state-of-the-art downstream performance across a set of standard benchmarks for linear attention models of their size. We release all our models on HuggingFace under the Apache 2.0 license, with the exception of our 72B models which are also governed by the Qwen License Agreement. Models at https://huggingface.co/collections/recursal/radlads-6818ee69e99e729ba8a87102 Training Code at https://github.com/recursal/RADLADS-paper
URLs: https://huggingface.co/collections/recursal/radlads-6818ee69e99e729ba8a87102, https://github.com/recursal/RADLADS-paper
Authors: Yu Yamaoka, Weng Ian Chan, Shigeto Seno, Soichiro Fukada, Hideo Matsuda
Abstract: Evaluating the regeneration process of damaged muscle tissue is a fundamental analysis in muscle research to measure experimental effect sizes and uncover mechanisms behind muscle weakness due to aging and disease. The conventional approach to assessing muscle tissue regeneration involves whole-slide imaging and expert visual inspection of the recovery stages based on the morphological information of cells and fibers. There is a need to replace these tasks with automated methods incorporating machine learning techniques to ensure a quantitative and objective analysis. Given the limited availability of fully labeled data, a possible approach is Learning from Label Proportions (LLP), a weakly supervised learning method using class label proportions. However, current LLP methods have two limitations: (1) they cannot adapt the feature extractor for muscle tissues, and (2) they treat the classes representing recovery stages and cell morphological changes as nominal, resulting in the loss of ordinal information. To address these issues, we propose Ordinal Scale Learning from Similarity Proportion (OSLSP), which uses a similarity proportion loss derived from two bag combinations. OSLSP can update the feature extractor by using class proportion attention to the ordinal scale of the class. Our model with OSLSP outperforms large-scale pre-trained and fine-tuning models in classification tasks of skeletal muscle recovery stages.