Authors: Ashutosh Agarwal
Abstract: This paper presents a novel solution, LEVER, designed to address the challenges posed by underperforming infrequent categories in Extreme Classification (XC) tasks. Infrequent categories, often characterized by sparse samples, suffer from high label inconsistency, which undermines classification performance. LEVER mitigates this problem by adopting a robust Siamese-style architecture, leveraging knowledge transfer to reduce label inconsistency and enhance the performance of One-vs-All classifiers. Comprehensive testing across multiple XC datasets reveals substantial improvements in the handling of infrequent categories, setting a new benchmark for the field. Additionally, the paper introduces two newly created multi-intent datasets, offering essential resources for future XC research.
Authors: Steven Atkinson
Abstract: This work demonstrates "slimmable Neural Amp Models", whose size and computational cost can be changed without additional training and with negligible computational overhead, enabling musicians to easily trade off between the accuracy and compute of the models they are using. The method's performance is quantified against commonly-used baselines, and a real-time demonstration of the model in an audio effect plug-in is developed.
Authors: Ratun Rahman, Sina Shaham, Dinh C. Nguyen
Abstract: Anomaly detection has a significant impact on applications such as video surveillance, medical diagnostics, and industrial monitoring, where anomalies frequently depend on context and anomaly-labeled data are limited. Quantum federated learning (QFL) overcomes these concerns by distributing model training among several quantum clients, consequently eliminating the requirement for centralized quantum storage and processing. However, in real-life quantum networks, clients frequently differ in terms of hardware capabilities, circuit designs, noise levels, and how classical data is encoded or preprocessed into quantum states. These differences create inherent heterogeneity across clients - not just in their data distributions, but also in their quantum processing behaviors. As a result, training a single global model becomes ineffective, especially when clients handle imbalanced or non-identically distributed (non-IID) data. To address this, we propose a new framework called personalized quantum federated learning (PQFL) for anomaly detection. PQFL enhances local model training at quantum clients using parameterized quantum circuits and classical optimizers, while introducing a quantum-centric personalization strategy that adapts each client's model to its own hardware characteristics and data representation. Extensive experiments show that PQFL significantly improves anomaly detection accuracy under diverse and realistic conditions. Compared to state-of-the-art methods, PQFL reduces false errors by up to 23%, and achieves gains of 24.2% in AUROC and 20.5% in AUPR, highlighting its effectiveness and scalability in practical quantum federated settings.
Authors: Mehmet Can Yavuz
Abstract: We present the Multivariate Variational Autoencoder (MVAE), a VAE variant that preserves Gaussian tractability while lifting the diagonal posterior restriction. MVAE factorizes each posterior covariance, where a \emph{global} coupling matrix $\mathbf{C}$ induces dataset-wide latent correlations and \emph{per-sample} diagonal scales modulate local uncertainty. This yields a full-covariance family with analytic KL and an efficient reparameterization via $\mathbf{L}=\mathbf{C}\mathrm{diag}(\boldsymbol{\sigma})$. Across Larochelle-style MNIST variants, Fashion-MNIST, CIFAR-10, and CIFAR-100, MVAE consistently matches or improves reconstruction (MSE~$\downarrow$) and delivers robust gains in calibration (NLL/Brier/ECE~$\downarrow$) and unsupervised structure (NMI/ARI~$\uparrow$) relative to diagonal-covariance VAEs with matched capacity, especially at mid-range latent sizes. Latent-plane visualizations further indicate smoother, more coherent factor traversals and sharper local detail. We release a fully reproducible implementation with training/evaluation scripts and sweep utilities to facilitate fair comparison and reuse.
Authors: Yang Yang (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA), Kathryn Pollak (Duke Cancer Institute, Durham, USA, Department of Population Health Sciences, Duke University School of Medicine, Durham, USA), Bibhas Chakraborty (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA, Centre for Quantitative Medicine, Duke-NUS Medical School, Singapore, Programme in Health Services and Systems Research, Duke-NUS Medical School, Singapore, Department of Statistics and Data Science, National University of Singapore, Singapore), Molei Liu (Department of Biostatistics, Peking University Health Science Center, Beijing, China, Beijing International Center for Mathematical Research, Peking University, Beijing, China), Doudou Zhou (Department of Statistics and Data Science, National University of Singapore, Singapore), Chuan Hong (Department of Biostatistics and Bioinformatics, Duke University, Durham, USA)
Abstract: Objective: Electronic health record (EHR) phenotyping often relies on noisy proxy labels, which undermine the reliability of downstream risk prediction. Active learning can reduce annotation costs, but most rely on fixed heuristics and do not ensure that phenotype refinement improves prediction performance. Our goal was to develop a framework that directly uses downstream prediction performance as feedback to guide phenotype correction and sample selection under constrained labeling budgets. Materials and Methods: We propose Reinforcement-Enhanced Label-Efficient Active Phenotyping (RELEAP), a reinforcement learning-based active learning framework. RELEAP adaptively integrates multiple querying strategies and, unlike prior methods, updates its policy based on feedback from downstream models. We evaluated RELEAP on a de-identified Duke University Health System (DUHS) cohort (2014-2024) for incident lung cancer risk prediction, using logistic regression and penalized Cox survival models. Performance was benchmarked against noisy-label baselines and single-strategy active learning. Results: RELEAP consistently outperformed all baselines. Logistic AUC increased from 0.774 to 0.805 and survival C-index from 0.718 to 0.752. Using downstream performance as feedback, RELEAP produced smoother and more stable gains than heuristic methods under the same labeling budget. Discussion: By linking phenotype refinement to prediction outcomes, RELEAP learns which samples most improve downstream discrimination and calibration, offering a more principled alternative to fixed active learning rules. Conclusion: RELEAP optimizes phenotype correction through downstream feedback, offering a scalable, label-efficient paradigm that reduces manual chart review and enhances the reliability of EHR-based risk prediction.
Authors: Reem Al-Saidi, Erman Ayday, Ziad Kobti
Abstract: This study investigates embedding reconstruction attacks in large language models (LLMs) applied to genomic sequences, with a specific focus on how fine-tuning affects vulnerability to these attacks. Building upon Pan et al.'s seminal work demonstrating that embeddings from pretrained language models can leak sensitive information, we conduct a comprehensive analysis using the HS3D genomic dataset to determine whether task-specific optimization strengthens or weakens privacy protections. Our research extends Pan et al.'s work in three significant dimensions. First, we apply their reconstruction attack pipeline to pretrained and fine-tuned model embeddings, addressing a critical gap in their methodology that did not specify embedding types. Second, we implement specialized tokenization mechanisms tailored specifically for DNA sequences, enhancing the model's ability to process genomic data, as these models are pretrained on natural language and not DNA. Third, we perform a detailed comparative analysis examining position-specific, nucleotide-type, and privacy changes between pretrained and fine-tuned embeddings. We assess embeddings vulnerabilities across different types and dimensions, providing deeper insights into how task adaptation shifts privacy risks throughout genomic sequences. Our findings show a clear distinction in reconstruction vulnerability between pretrained and fine-tuned embeddings. Notably, fine-tuning strengthens resistance to reconstruction attacks in multiple architectures -- XLNet (+19.8\%), GPT-2 (+9.8\%), and BERT (+7.8\%) -- pointing to task-specific optimization as a potential privacy enhancement mechanism. These results highlight the need for advanced protective mechanisms for language models processing sensitive genomic data, while highlighting fine-tuning as a potential privacy-enhancing technique worth further exploration.
Authors: Dev Patel, Gabrielle Gervacio, Diekola Raimi, Kevin Zhu, Ryan Lagasse, Gabriel Grand, Ashwinee Panda, Maheep Chaudhary
Abstract: Large Language Models require substantial computational resources for inference, posing deployment challenges. While dynamic pruning offers superior efficiency over static methods through adaptive circuit selection, it exacerbates alignment degradation by retaining only input-dependent safety-critical circuit preservation across diverse inputs. As a result, addressing these heightened alignment vulnerabilities remains critical. We introduce Alignment-Aware Probe Pruning (AAPP), a dynamic structured pruning method that adaptively preserves alignment-relevant circuits during inference, building upon Probe Pruning. Experiments on LLaMA 2-7B, Qwen2.5-14B-Instruct, and Gemma-3-12B-IT show AAPP improves refusal rates by 50\% at matched compute, enabling efficient yet safety-preserving LLM deployment.
Authors: Dharmateja Priyadarshi Uddandarao, Ravi Kiran Vadlamani
Abstract: This study presents a novel framework for counterfactual user behavior forecasting that combines structural causal models with transformer-based generative artificial intelligence. To model fictitious situations, the method creates causal graphs that map the connections between user interactions, adoption metrics, and product features. The framework generates realistic behavioral trajectories under counterfactual conditions by using generative models that are conditioned on causal variables. Tested on datasets from web interactions, mobile applications, and e-commerce, the methodology outperforms conventional forecasting and uplift modeling techniques. Product teams can effectively simulate and assess possible interventions prior to deployment thanks to the framework improved interpretability through causal path visualization.
Authors: Sushant Mehta
Abstract: Machine learning systems exhibit diverse failure modes: unfairness toward protected groups, brittleness to spurious correlations, poor performance on minority sub-populations, which are typically studied in isolation by distinct research communities. We propose a unifying theoretical framework that characterizes when different bias mechanisms produce quantitatively equivalent effects on model performance. By formalizing biases as violations of conditional independence through information-theoretic measures, we prove formal equivalence conditions relating spurious correlations, subpopulation shift, class imbalance, and fairness violations. Our theory predicts that a spurious correlation of strength $\alpha$ produces equivalent worst-group accuracy degradation as a sub-population imbalance ratio $r \approx (1+\alpha)/(1-\alpha)$ under feature overlap assumptions. Empirical validation in six datasets and three architectures confirms that predicted equivalences hold within the accuracy of the worst group 3\%, enabling the principled transfer of debiasing methods across problem domains. This work bridges the literature on fairness, robustness, and distribution shifts under a common perspective.
Authors: Sourav Ganguly, Arnob Ghosh
Abstract: We study the problem of learning policies that maximize cumulative reward while satisfying safety constraints, even when the real environment differs from a simulator or nominal model. We focus on robust constrained Markov decision processes (RCMDPs), where the agent must maximize reward while ensuring cumulative utility exceeds a threshold under the worst-case dynamics within an uncertainty set. While recent works have established finite-time iteration complexity guarantees for RCMDPs using policy optimization, their sample complexity guarantees remain largely unexplored. In this paper, we first show that Markovian policies may fail to be optimal even under rectangular uncertainty sets unlike the {\em unconstrained} robust MDP. To address this, we introduce an augmented state space that incorporates the remaining utility budget into the state representation. Building on this formulation, we propose a novel Robust constrained Value iteration (RCVI) algorithm with a sample complexity of $\mathcal{\tilde{O}}(|S||A|H^5/\epsilon^2)$ achieving at most $\epsilon$ violation using a generative model where $|S|$ and $|A|$ denote the sizes of the state and action spaces, respectively, and $H$ is the episode length. To the best of our knowledge, this is the {\em first sample complexity guarantee} for RCMDP. Empirical results further validate the effectiveness of our approach.
Authors: Marco Roccetti
Abstract: The integration of advanced analytical tools, including Machine Learning (ML) and massive data processing, has revolutionized health research, promising unprecedented accuracy in diagnosis and risk prediction. However, the rigor of these complex methods is fundamentally dependent on the quality and integrity of the underlying datasets and the validity of their statistical design. We propose an emblematic case where advanced analysis (ML/Big Data) must necessarily be subsequent to the verification of basic methodological coherence. This study highlights a crucial cautionary principle: sophisticated analyses amplify, rather than correct, severe methodological flaws rooted in basic design choices, leading to misleading or contradictory findings. By applying simple, standard descriptive statistical methods and established national epidemiological benchmarks to a recently published cohort study on vaccine outcomes and psychiatric events, we expose multiple, statistically irreconcilable paradoxes. These paradoxes, including an implausible risk reduction for a chronic disorder in a high-risk group and contradictory incidence rate comparisons, definitively invalidate the reported hazard ratios (HRs). We demonstrate that the observed effects are mathematical artifacts stemming from an uncorrected selection bias in the cohort construction. This analysis serves as a robust reminder that even the most complex health studies must first pass the test of basic epidemiological consistency before any conclusion drawn from subsequent advanced ML or statistical modeling can be considered valid or publishable. We conclude that robust methods, such as Propensity Score Matching, are essential for achieving valid causal inference from administrative data in the absence of randomization
Authors: Md Motaleb Hossen Manik, Md Zabirul Islam, Ge Wang
Abstract: Activation functions are fundamental for enabling nonlinear representations in deep neural networks. However, the standard rectified linear unit (ReLU) often suffers from inactive or "dead" neurons caused by its hard zero cutoff. To address this issue, we introduce N-ReLU (Noise-ReLU), a zero-mean stochastic extension of ReLU that replaces negative activations with Gaussian noise while preserving the same expected output. This expectation-aligned formulation maintains gradient flow in inactive regions and acts as an annealing-style regularizer during training. Experiments on the MNIST dataset using both multilayer perceptron (MLP) and convolutional neural network (CNN) architectures show that N-ReLU achieves accuracy comparable to or slightly exceeding that of ReLU, LeakyReLU, PReLU, GELU, and RReLU at moderate noise levels (sigma = 0.05-0.10), with stable convergence and no dead neurons observed. These results demonstrate that lightweight Gaussian noise injection offers a simple yet effective mechanism to enhance optimization robustness without modifying network structures or introducing additional parameters.
Authors: Sean P. Fillingham, Andrew Gordon, Peter Lai, Xavier Poncini, David Quarel, Stefan Heimersheim
Abstract: Mechanistic interpretability aims to decompose neural networks into interpretable features and map their connecting circuits. The standard approach trains sparse autoencoders (SAEs) on each layer's activations. However, SAEs trained in isolation don't encourage sparse cross-layer connections, inflating extracted circuits where upstream features needlessly affect multiple downstream features. Current evaluations focus on individual SAE performance, leaving interaction sparsity unexamined. We introduce SCALAR (Sparse Connectivity Assessment of Latent Activation Relationships), a benchmark measuring interaction sparsity between SAE features. We also propose "Staircase SAEs", using weight-sharing to limit upstream feature duplication across downstream features. Using SCALAR, we compare TopK SAEs, Jacobian SAEs (JSAEs), and Staircase SAEs. Staircase SAEs improve relative sparsity over TopK SAEs by $59.67\% \pm 1.83\%$ (feedforward) and $63.15\% \pm 1.35\%$ (transformer blocks). JSAEs provide $8.54\% \pm 0.38\%$ improvement over TopK for feedforward layers but cannot train effectively across transformer blocks, unlike Staircase and TopK SAEs which work anywhere in the residual stream. We validate on a $216$K-parameter toy model and GPT-$2$ Small ($124$M), where Staircase SAEs maintain interaction sparsity improvements while preserving feature interpretability. Our work highlights the importance of interaction sparsity in SAEs through benchmarking and comparing promising architectures.
Authors: Raffi Khatchadourian, Rolando Franco
Abstract: Financial institutions deploy Large Language Models (LLMs) for reconciliations, regulatory reporting, and client communications, but nondeterministic outputs (output drift) undermine auditability and trust. We quantify drift across five model architectures (7B-120B parameters) on regulated financial tasks, revealing a stark inverse relationship: smaller models (Granite-3-8B, Qwen2.5-7B) achieve 100% output consistency at T=0.0, while GPT-OSS-120B exhibits only 12.5% consistency (95% CI: 3.5-36.0%) regardless of configuration (p<0.0001, Fisher's exact test). This finding challenges conventional assumptions that larger models are universally superior for production deployment. Our contributions include: (i) a finance-calibrated deterministic test harness combining greedy decoding (T=0.0), fixed seeds, and SEC 10-K structure-aware retrieval ordering; (ii) task-specific invariant checking for RAG, JSON, and SQL outputs using finance-calibrated materiality thresholds (plus or minus 5%) and SEC citation validation; (iii) a three-tier model classification system enabling risk-appropriate deployment decisions; and (iv) an audit-ready attestation system with dual-provider validation. We evaluated five models (Qwen2.5-7B via Ollama, Granite-3-8B via IBM watsonx.ai, Llama-3.3-70B, Mistral-Medium-2505, and GPT-OSS-120B) across three regulated financial tasks. Across 480 runs (n=16 per condition), structured tasks (SQL) remain stable even at T=0.2, while RAG tasks show drift (25-75%), revealing task-dependent sensitivity. Cross-provider validation confirms deterministic behavior transfers between local and cloud deployments. We map our framework to Financial Stability Board (FSB), Bank for International Settlements (BIS), and Commodity Futures Trading Commission (CFTC) requirements, demonstrating practical pathways for compliance-ready AI deployments.
Authors: Georgiy Shakirov, Albert Arakelov
Abstract: A common practice in heterogeneous graph neural networks (HGNNs) is to condition parameters on node/edge types, assuming types reflect semantic roles. However, this can cause overreliance on surface-level labels and impede cross-type knowledge transfer. We explore integrating Mixture-of-Experts (MoE) into HGNNs--a direction underexplored despite MoE's success in homogeneous settings. Crucially, we question the need for type-specific experts. We propose Homogeneous Expert Routing (HER), an MoE layer for Heterogeneous Graph Transformers (HGT) that stochastically masks type embeddings during routing to encourage type-agnostic specialization. Evaluated on IMDB, ACM, and DBLP for link prediction, HER consistently outperforms standard HGT and a type-separated MoE baseline. Analysis on IMDB shows HER experts specialize by semantic patterns (e.g., movie genres) rather than node types, confirming routing is driven by latent semantics. Our work demonstrates that regularizing type dependence in expert routing yields more generalizable, efficient, and interpretable representations--a new design principle for heterogeneous graph learning.
Authors: Yue Jin, Giovanni Montana
Abstract: Offline multi-agent reinforcement learning (MARL) is severely hampered by the challenge of evaluating out-of-distribution (OOD) joint actions. Our core finding is that when the behavior policy is factorized - a common scenario where agents act fully or partially independently during data collection - a strategy of partial action replacement (PAR) can significantly mitigate this challenge. PAR updates a single or part of agents' actions while the others remain fixed to the behavioral data, reducing distribution shift compared to full joint-action updates. Based on this insight, we develop Soft-Partial Conservative Q-Learning (SPaCQL), using PAR to mitigate OOD issue and dynamically weighting different PAR strategies based on the uncertainty of value estimation. We provide a rigorous theoretical foundation for this approach, proving that under factorized behavior policies, the induced distribution shift scales linearly with the number of deviating agents rather than exponentially with the joint-action space. This yields a provably tighter value error bound for this important class of offline MARL problems. Our theoretical results also indicate that SPaCQL adaptively addresses distribution shift using uncertainty-informed weights. Our empirical results demonstrate SPaCQL enables more effective policy learning, and manifest its remarkable superiority over baseline algorithms when the offline dataset exhibits the independence structure.
Authors: Arya Bangun, Maximilian T\"ollner, Xuan Zhao, Christian K\"ubel, Hanno Scharr
Abstract: We introduce FlowTIE, a neural-network-based framework for phase reconstruction from 4D-Scanning Transmission Electron Microscopy (STEM) data, which integrates the Transport of Intensity Equation (TIE) with a flow-based representation of the phase gradient. This formulation allows the model to bridge data-driven learning with physics-based priors, improving robustness under dynamical scattering conditions for thick specimen. The validation on simulated datasets of crystalline materials, benchmarking to classical TIE and gradient-based optimization methods are presented. The results demonstrate that FlowTIE improves phase reconstruction accuracy, fast, and can be integrated with a thick specimen model, namely multislice method.
Authors: Ruihan Wu, Erchi Wang, Zhiyuan Zhang, Yu-Xiang Wang
Abstract: Retrieval-augmented generation (RAG) enhances large language models (LLMs) by retrieving documents from an external corpus at inference time. When this corpus contains sensitive information, however, unprotected RAG systems are at risk of leaking private information. Prior work has introduced differential privacy (DP) guarantees for RAG, but only in single-query settings, which fall short of realistic usage. In this paper, we study the more practical multi-query setting and propose two DP-RAG algorithms. The first, MURAG, leverages an individual privacy filter so that the accumulated privacy loss only depends on how frequently each document is retrieved rather than the total number of queries. The second, MURAG-ADA, further improves utility by privately releasing query-specific thresholds, enabling more precise selection of relevant documents. Our experiments across multiple LLMs and datasets demonstrate that the proposed methods scale to hundreds of queries within a practical DP budget ($\varepsilon\approx10$), while preserving meaningful utility.
Authors: Pengfei Hu, Ming Fan, Xiaoxue Han, Chang Lu, Wei Zhang, Hyun Kang, Yue Ning, Dan Lu
Abstract: Reservoir inflow prediction is crucial for water resource management, yet existing approaches mainly focus on single-reservoir models that ignore spatial dependencies among interconnected reservoirs. We introduce AdaTrip as an adaptive, time-varying graph learning framework for multi-reservoir inflow forecasting. AdaTrip constructs dynamic graphs where reservoirs are nodes with directed edges reflecting hydrological connections, employing attention mechanisms to automatically identify crucial spatial and temporal dependencies. Evaluation on thirty reservoirs in the Upper Colorado River Basin demonstrates superiority over existing baselines, with improved performance for reservoirs with limited records through parameter sharing. Additionally, AdaTrip provides interpretable attention maps at edge and time-step levels, offering insights into hydrological controls to support operational decision-making. Our code is available at https://github.com/humphreyhuu/AdaTrip.
Authors: Yicheng Zhan, Fahim Ahmed, Amy Burrell, Matthew J. Tonkin, Sarah Galambos, Jessica Woodhams, Dalal Alrajeh
Abstract: Effective crime linkage analysis is crucial for identifying serial offenders and enhancing public safety. To address limitations of traditional crime linkage methods in handling high-dimensional, sparse, and heterogeneous data, we propose a Siamese Autoencoder framework that learns meaningful latent representations and uncovers correlations in complex crime data. Using data from the Violent Crime Linkage Analysis System (ViCLAS), maintained by the Serious Crime Analysis Section of the UK's National Crime Agency, our approach mitigates signal dilution in sparse feature spaces by integrating geographic-temporal features at the decoder stage. This design amplifies behavioral representations rather than allowing them to be overshadowed at the input level, yielding consistent improvements across multiple evaluation metrics. We further analyze how different domain-informed data reduction strategies influence model performance, providing practical guidance for preprocessing in crime linkage contexts. Our results show that advanced machine learning approaches can substantially enhance linkage accuracy, improving AUC by up to 9% over traditional methods while offering interpretable insights to support investigative decision-making.
Authors: Veera V S Bhargav Nunna, Shinae Kang, Zheyuan Zhou, Virginia Wang, Sucharitha Boinapally, Michael Foley
Abstract: Enterprise relational databases increasingly contain vast amounts of non-semantic data - IP addresses, product identifiers, encoded keys, and timestamps - that challenge traditional semantic analysis. This paper introduces a novel Character-Level Autoencoder (CAE) approach that automatically identifies and groups semantically identical columns in non-semantic relational datasets by detecting column similarities based on data patterns and structures. Unlike conventional Natural Language Processing (NLP) models that struggle with limitations in semantic interpretability and out-of-vocabulary tokens, our approach operates at the character level with fixed dictionary constraints, enabling scalable processing of large-scale data lakes and warehouses. The CAE architecture encodes text representations of non-semantic relational table columns and extracts high-dimensional feature embeddings for data grouping. By maintaining a fixed dictionary size, our method significantly reduces both memory requirements and training time, enabling efficient processing of large-scale industrial data environments. Experimental evaluation demonstrates substantial performance gains: our CAE approach achieved 80.95% accuracy in top 5 column matching tasks across relational datasets, substantially outperforming traditional NLP approaches such as Bag of Words (47.62%). These results demonstrate its effectiveness for identifying and clustering identical columns in relational datasets. This work bridges the gap between theoretical advances in character-level neural architectures and practical enterprise data management challenges, providing an automated solution for schema understanding and data profiling of non-semantic industrial datasets at scale.
Authors: Xiaomeng Yang, Jian Gao, Yanzhi Wang, Xuan Zhang
Abstract: Although recent advancements in learning-based analog circuit design automation have tackled tasks such as topology generation, device sizing, and layout synthesis, efficient performance evaluation remains a major bottleneck. Traditional SPICE simulations are time-consuming, while existing machine learning methods often require topology-specific retraining or manual substructure segmentation for fine-tuning, hindering scalability and adaptability. In this work, we propose ZeroSim, a transformer-based performance modeling framework designed to achieve robust in-distribution generalization across trained topologies under novel parameter configurations and zero-shot generalization to unseen topologies without any fine-tuning. We apply three key enabling strategies: (1) a diverse training corpus of 3.6 million instances covering over 60 amplifier topologies, (2) unified topology embeddings leveraging global-aware tokens and hierarchical attention to robustly generalize to novel circuits, and (3) a topology-conditioned parameter mapping approach that maintains consistent structural representations independent of parameter variations. Our experimental results demonstrate that ZeroSim significantly outperforms baseline models such as multilayer perceptrons, graph neural networks and transformers, delivering accurate zero-shot predictions across different amplifier topologies. Additionally, when integrated into a reinforcement learning-based parameter optimization pipeline, ZeroSim achieves a remarkable speedup (13x) compared to conventional SPICE simulations, underscoring its practical value for a wide range of analog circuit design automation tasks.
Authors: Manh Nguyen, Sunil Gupta, Hung Le
Abstract: Large Language Models (LLMs) exhibit strong performance across various natural language processing (NLP) tasks but remain vulnerable to hallucinations, generating factually incorrect or misleading outputs. Uncertainty estimation, often using predictive entropy estimation, is key to addressing this issue. However, existing methods often require multiple samples or extra computation to assess semantic entropy. This paper proposes an efficient, training-free uncertainty estimation method that approximates predictive entropy using the responses' top-$K$ probabilities. Moreover, we employ an adaptive mechanism to determine $K$ to enhance flexibility and filter out low-confidence probabilities. Experimental results on three free-form question-answering datasets across several LLMs demonstrate that our method outperforms expensive state-of-the-art baselines, contributing to the broader goal of enhancing LLM trustworthiness.
Authors: Brandon Dominique, Prudence Lam, Nicholas Kurtansky, Jochen Weber, Kivanc Kose, Veronica Rotemberg, Jennifer Dy
Abstract: Artificial Intelligence (AI) models have demonstrated expert-level performance in melanoma detection, yet their clinical adoption is hindered by performance disparities across demographic subgroups such as gender, race, and age. Previous efforts to benchmark the performance of AI models have primarily focused on assessing model performance using group fairness metrics that rely on the Area Under the Receiver Operating Characteristic curve (AUROC), which does not provide insights into a model's ability to provide accurate estimates. In line with clinical assessments, this paper addresses this gap by incorporating calibration as a complementary benchmarking metric to AUROC-based fairness metrics. Calibration evaluates the alignment between predicted probabilities and observed event rates, offering deeper insights into subgroup biases. We assess the performance of the leading skin cancer detection algorithm of the ISIC 2020 Challenge on the ISIC 2020 Challenge dataset and the PROVE-AI dataset, and compare it with the second and third place models, focusing on subgroups defined by sex, race (Fitzpatrick Skin Tone), and age. Our findings reveal that while existing models enhance discriminative accuracy, they often over-diagnose risk and exhibit calibration issues when applied to new datasets. This study underscores the necessity for comprehensive model auditing strategies and extensive metadata collection to achieve equitable AI-driven healthcare solutions. All code is publicly available at https://github.com/bdominique/testing_strong_calibration.
URLs: https://github.com/bdominique/testing_strong_calibration.
Authors: Xiaolin Sun, Feidi Liu, Zhengming Ding, ZiZhan Zheng
Abstract: Reinforcement learning (RL) systems, while achieving remarkable success across various domains, are vulnerable to adversarial attacks. This is especially a concern in vision-based environments where minor manipulations of high-dimensional image inputs can easily mislead the agent's behavior. To this end, various defenses have been proposed recently, with state-of-the-art approaches achieving robust performance even under large state perturbations. However, after closer investigation, we found that the effectiveness of the current defenses is due to a fundamental weakness of the existing $l_p$ norm-constrained attacks, which can barely alter the semantics of image input even under a relatively large perturbation budget. In this work, we propose SHIFT, a novel policy-agnostic diffusion-based state perturbation attack to go beyond this limitation. Our attack is able to generate perturbed states that are semantically different from the true states while remaining realistic and history-aligned to avoid detection. Evaluations show that our attack effectively breaks existing defenses, including the most sophisticated ones, significantly outperforming existing attacks while being more perceptually stealthy. The results highlight the vulnerability of RL agents to semantics-aware adversarial perturbations, indicating the importance of developing more robust policies.
Authors: Meraj Hassanzadeh, Ehsan Ghaderi, Mohamad Ali Bijarchi, Siamak Kazemzadeh Hannani
Abstract: Multidimensional optimization has consistently been a critical challenge in engineering. However, traditional simulation-based optimization methods have long been plagued by significant limitations: they are typically capable of optimizing only a single problem at a time and require substantial computational time for meshing and numerical simulation. This paper introduces a novel framework leveraging cutting-edge Scientific Machine Learning (Sci-ML) methodologies to overcome these inherent drawbacks of conventional approaches. The proposed method provides instantaneous solutions to a spectrum of complex, multidimensional optimization problems. A micromixer case study is employed to demonstrate this methodology. An agent, operating on a Deep Reinforcement Learning (DRL) architecture, serves as the optimizer to explore the relationships between key problem parameters. This optimizer interacts with an environment constituted by a parametric Physics-Informed Neural Network (PINN), which responds to the agent's actions at a significantly higher speed than traditional numerical methods. The agent's objective, conditioned on the Schmidt number is to discover the optimal geometric and physical parameters that maximize the micromixer's efficiency. After training the agent across a wide range of Schmidt numbers, we analyzed the resulting optimal designs. Across this entire spectrum, the achieved efficiency was consistently greater than the baseline, normalized value. The maximum efficiency occurred at a Schmidt number of 13.3, demonstrating an improvement of approximately 32%. Finally, a comparative analysis with a Genetic Algorithm was conducted under equivalent conditions to underscore the advantages of the proposed method.
Authors: Piotr Szwed, Pawe{\l} Skrzynski, Jaros{\l}aw W\k{a}s
Abstract: The paper addresses the Vehicle Relocation Problem in free-floating car-sharing services by presenting a solution focused on strategies for repositioning vehicles and transferring personnel with the use of scooters. Our method begins by dividing the service area into zones that group regions with similar temporal patterns of vehicle presence and service demand, allowing the application of discrete optimization methods. In the next stage, we propose a fast ranking-based algorithm that makes its decisions on the basis of the number of cars available in each zone, the projected probability density of demand, and estimated trip durations. The experiments were carried out on the basis of real-world data originating from a major car-sharing service operator in Poland. The results of this algorithm are evaluated against scenarios without optimization that constitute a baseline and compared with the results of an exact algorithm to solve the Mixed Integer Programming (MIP) model. As performance metrics, the total travel time was used. Under identical conditions (number of vehicles, staff, and demand distribution), the average improvements with respect to the baseline of our algorithm and MIP solver were equal to 8.44\% and 19.6\% correspondingly. However, it should be noted that the MIP model also mimicked decisions on trip selection, which are excluded by current services business rules. The analysis of results suggests that, depending on the size of the workforce, the application of the proposed solution allows for improving performance metrics by roughly 3%-10%.
Authors: Bill Chunyuan Zheng, Vivek Myers, Benjamin Eysenbach, Sergey Levine
Abstract: Learning how to reach goals in an environment is a longstanding challenge in AI, yet reasoning over long horizons remains a challenge for modern methods. The key question is how to estimate the temporal distance between pairs of observations. While temporal difference methods leverage local updates to provide optimality guarantees, they often perform worse than Monte Carlo methods that perform global updates (e.g., with multi-step returns), which lack such guarantees. We show how these approaches can be integrated into a practical GCRL method that fits a quasimetric distance using a multistep Monte-Carlo return. We show our method outperforms existing GCRL methods on long-horizon simulated tasks with up to 4000 steps, even with visual observations. We also demonstrate that our method can enable stitching in the real-world robotic manipulation domain (Bridge setup). Our approach is the first end-to-end GCRL method that enables multistep stitching in this real-world manipulation domain from an unlabeled offline dataset of visual observations.
Authors: Shu Hong, Yongsheng Mei, Mahdi Imani, Tian Lan
Abstract: Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches often rely on either full graph topology-impractical for large or partially observed graphs-or incremental exploration, which can lead to slow convergence. We introduce a scalable framework for global optimization over graphs that employs low-rank spectral representations to build Gaussian process (GP) surrogates from sparse structural observations. The method jointly infers graph structure and node representations through learnable embeddings, enabling efficient global search and principled uncertainty estimation even with limited data. We also provide theoretical analysis establishing conditions for accurate recovery of underlying graph structure under different sampling regimes. Experiments on synthetic and real-world datasets demonstrate that our approach achieves faster convergence and improved optimization performance compared to prior methods.
Authors: Donglai Xu, Hongzheng Yang, Yuzhi Zhao, Pingping Zhang, Jinpeng Chen, Wenao Ma, Zhijian Hou, Mengyang Wu, Xiaolei Li, Senkang Hu, Ziyi Guan, Jason Chun Lok Li, Lai Man Po
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) for Multimodal Large Language Models (MLLMs) is highly dependent on high-quality labeled data, which is often scarce and prone to substantial annotation noise in real-world scenarios. Existing unsupervised RLVR methods, including pure entropy minimization, can overfit to incorrect labels and limit the crucial reward ranking signal for Group-Relative Policy Optimization (GRPO). To address these challenges and enhance noise tolerance, we propose a novel two-stage, token-level entropy optimization method for RLVR. This approach dynamically guides the model from exploration to exploitation during training. In the initial exploration phase, token-level entropy maximization promotes diverse and stochastic output generation, serving as a strong regularizer that prevents premature convergence to noisy labels and ensures sufficient intra-group variation, which enables more reliable reward gradient estimation in GRPO. As training progresses, the method transitions into the exploitation phase, where token-level entropy minimization encourages the model to produce confident and deterministic outputs, thereby consolidating acquired knowledge and refining prediction accuracy. Empirically, across three MLLM backbones - Qwen2-VL-2B, Qwen2-VL-7B, and Qwen2.5-VL-3B - spanning diverse noise settings and multiple tasks, our phased strategy consistently outperforms prior approaches by unifying and enhancing external, internal, and entropy-based methods, delivering robust and superior performance across the board.
Authors: Yuen-Man Pun, Matthew Buchholz, Robert M. Gower
Abstract: The recently proposed schedule-free method has been shown to achieve strong performance when hyperparameter tuning is limited. The current theory for schedule-free only supports a constant learning rate, where-as the implementation used in practice uses a warm-up schedule. We show how to extend the last-iterate convergence theory of schedule-free to allow for any scheduler, and how the averaging parameter has to be updated as a function of the learning rate. We then perform experiments showing how our convergence theory has some predictive power with regards to practical executions on deep neural networks, despite that this theory relies on assuming convexity. When applied to the warmup-stable-decay (wsd) schedule, our theory shows the optimal convergence rate of $\mathcal{O}(1/\sqrt{T})$. We then use convexity to design a new adaptive Polyak learning rate schedule for schedule-free. We prove an optimal anytime last-iterate convergence for our new Polyak schedule, and show that it performs well compared to a number of baselines on a black-box model distillation task.
Authors: Benjamin Richards, Pushpa Kumar Balan
Abstract: The high accuracy of large-scale weather forecasting models like Aurora is often accompanied by a lack of transparency, as their internal representations remain largely opaque. This "black box" nature hinders their adoption in high-stakes operational settings. In this work, we probe the physical consistency of Aurora's encoder by investigating whether its latent representations align with known physical and meteorological concepts. Using a large-scale dataset of embeddings, we train linear classifiers to identify three distinct concepts: the fundamental land-sea boundary, high-impact extreme temperature events, and atmospheric instability. Our findings provide quantitative evidence that Aurora learns physically consistent features, while also highlighting its limitations in capturing the rarest events. This work underscores the critical need for interpretability methods to validate and build trust in the next generation of Al-driven weather models.
Authors: Sara Kangaslahti, Danny Ebanks, Jean Kossaifi, Anqi Liu, R. Michael Alvarez, Animashree Anandkumar
Abstract: This paper proposes a topic modeling method that scales linearly to billions of documents. We make three core contributions: i) we present a topic modeling method, Tensor Latent Dirichlet Allocation (TLDA), that has identifiable and recoverable parameter guarantees and sample complexity guarantees for large data; ii) we show that this method is computationally and memory efficient (achieving speeds over 3-4x those of prior parallelized Latent Dirichlet Allocation (LDA) methods), and that it scales linearly to text datasets with over a billion documents; iii) we provide an open-source, GPU-based implementation, of this method. This scaling enables previously prohibitive analyses, and we perform two real-world, large-scale new studies of interest to political scientists: we provide the first thorough analysis of the evolution of the #MeToo movement through the lens of over two years of Twitter conversation and a detailed study of social media conversations about election fraud in the 2020 presidential election. Thus this method provides social scientists with the ability to study very large corpora at scale and to answer important theoretically-relevant questions about salient issues in near real-time.
Authors: Zhiyao Zhang, Zhuqing Liu, Xin Zhang, Wen-Yen Chen, Jiyan Yang, Jia Liu
Abstract: As machine learning (ML) applications grow increasingly complex in recent years, modern ML frameworks often need to address multiple potentially conflicting objectives with coupled decision variables across different layers. This creates a compelling need for multi-objective bilevel learning (MOBL). So far, however, the field of MOBL remains in its infancy and many important problems remain under-explored. This motivates us to fill this gap and systematically investigate the theoretical and algorithmic foundation of MOBL. Specifically, we consider MOBL problems with multiple conflicting objectives guided by preferences at the upper-level subproblem, where part of the inputs depend on the optimal solution of the lower-level subproblem. Our goal is to develop efficient MOBL optimization algorithms to (1) identify a preference-guided Pareto-stationary solution with low oracle complexity; and (2) enable systematic Pareto front exploration. To this end, we propose a unifying algorithmic framework called weighted-Chebyshev multi-hyper-gradient-descent (WC-MHGD) for both deterministic and stochastic settings with finite-time Pareto-stationarity convergence rate guarantees, which not only implies low oracle complexity but also induces systematic Pareto front exploration. We further conduct extensive experiments to confirm our theoretical results.
Authors: Chanakya Ekbote, Vijay Lingam, Behrooz Omidvar-Tehrani, Jun Huan, Sujay Sanghavi, Anoop Deoras, Stefano Soatto
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful framework for enhancing the reasoning capabilities of large language models (LLMs). However, existing approaches such as Group Relative Policy Optimization (GRPO) and its variants, while effective on reasoning benchmarks, struggle with agentic tasks that require iterative decision-making. We introduce Murphy, a multi-turn reflective optimization framework that extends GRPO by incorporating iterative self-correction during training. By leveraging both quantitative and qualitative execution feedback, Murphy enables models to progressively refine their reasoning across multiple turns. Evaluations on code generation benchmarks with model families such as Qwen and OLMo show that Murphy consistently improves performance, achieving up to a 8% relative gain in pass@1 over GRPO, on similar compute budgets.
Authors: Jay Chooi, Kevin Cong, Russell Li, Lillian Sun
Abstract: As deep learning methods increasingly utilize sensitive data on a widespread scale, differential privacy (DP) offers formal guarantees to protect against information leakage during model training. A significant challenge remains in implementing DP optimizers that retain strong performance while preserving privacy. Recent advances introduced ever more efficient optimizers, with AdamW being a popular choice for training deep learning models because of strong empirical performance. We study \emph{DP-AdamW} and introduce \emph{DP-AdamW-BC}, a differentially private variant of the AdamW optimizer with DP bias correction for the second moment estimator. We start by showing theoretical results for privacy and convergence guarantees of DP-AdamW and DP-AdamW-BC. Then, we empirically analyze the behavior of both optimizers across multiple privacy budgets ($\epsilon = 1, 3, 7$). We find that DP-AdamW outperforms existing state-of-the-art differentially private optimizers like DP-SGD, DP-Adam, and DP-AdamBC, scoring over 15\% higher on text classification, up to 5\% higher on image classification, and consistently 1\% higher on graph node classification. Moreover, we empirically show that incorporating bias correction in DP-AdamW (DP-AdamW-BC) consistently decreases accuracy, in contrast to the improvement of DP-AdamBC improvement over DP-Adam.
Authors: Wei Wang
Abstract: Deep learning architectures are highly diverse. To prove their universal approximation properties, existing works typically rely on model-specific proofs. Generally, they construct a dedicated mathematical formulation for each architecture (e.g., fully connected networks, CNNs, or Transformers) and then prove their universal approximability. However, this approach suffers from two major limitations: first, every newly proposed architecture often requires a completely new proof from scratch; second, these proofs are largely isolated from one another, lacking a common analytical foundation. This not only incurs significant redundancy but also hinders unified theoretical understanding across different network families. To address these issues, this paper proposes a general and modular framework for proving universal approximation. We define a basic building block (comprising one or multiple layers) that possesses the universal approximation property as a Universal Approximation Module (UAM). Under this condition, we show that any deep network composed of such modules inherently retains the universal approximation property. Moreover, the overall approximation process can be interpreted as a progressive refinement across modules. This perspective not only unifies the analysis of diverse architectures but also enables a step-by-step understanding of how expressive power evolves through the network.
Authors: Shihao Li, Jiachen Li, Jiamin Xu, Christopher Martin, Wei Li, Dongmei Chen
Abstract: We study how trajectory value depends on the learning algorithm in policy-gradient control. Using Trajectory Shapley in an uncertain LQR, we find a negative correlation between Persistence of Excitation (PE) and marginal value under vanilla REINFORCE ($r\approx-0.38$). We prove a variance-mediated mechanism: (i) for fixed energy, higher PE yields lower gradient variance; (ii) near saddles, higher variance increases escape probability, raising marginal contribution. When stabilized (state whitening or Fisher preconditioning), this variance channel is neutralized and information content dominates, flipping the correlation positive ($r\approx+0.29$). Hence, trajectory value is algorithm-relative. Experiments validate the mechanism and show decision-aligned scores (Leave-One-Out) complement Shapley for pruning, while Shapley identifies toxic subsets.
Authors: Si-Hyun Kim, Heon-Gyu Kwak, Byoung-Hee Kwon, Seong-Whan Lee
Abstract: Brain-computer interface (BCI) aims to decode motor intent from noninvasive neural signals to enable control of external devices, but practical deployment remains limited by noise and variability in motor imagery (MI)-based electroencephalogram (EEG) signals. This work investigates a hierarchical and meta-cognitive decoding framework for four-class MI classification. We introduce a multi-scale hierarchical signal processing module that reorganizes backbone features into temporal multi-scale representations, together with an introspective uncertainty estimation module that assigns per-cycle reliability scores and guides iterative refinement. We instantiate this framework on three standard EEG backbones (EEGNet, ShallowConvNet, and DeepConvNet) and evaluate four-class MI decoding using the BCI Competition IV-2a dataset under a subject-independent setting. Across all backbones, the proposed components improve average classification accuracy and reduce inter-subject variance compared to the corresponding baselines, indicating increased robustness to subject heterogeneity and noisy trials. These results suggest that combining hierarchical multi-scale processing with introspective confidence estimation can enhance the reliability of MI-based BCI systems.
Authors: Yizhou Zhang
Abstract: Empirical scaling laws describe how test loss and other performance metrics depend on model size, dataset size, and compute. While such laws are consistent within specific regimes, apparently distinct scaling behaviors have been reported for related settings such as model compression. Motivated by recent progress in spectral analyses of neural representations, this paper develops a \emph{generalized spectral framework} that unifies learning dynamics and compression phenomena under a common functional ansatz. We generalize the spectral evolution function from the linear kernel form $g(\lambda t)=\lambda t$ to an asymptotically polynomial function $g(\lambda,t;\beta)$, characterized by an effective spectral--temporal elasticity $\rho(\beta)$. This framework recovers existing lazy and feature-learning theories as special cases and yields an invariant relation between learning and compression
Authors: Ihab Tabbara, Yuxuan Yang, Hussein Sibai
Abstract: Safety assurance is a fundamental requirement for deploying learning-enabled autonomous systems. Hamilton-Jacobi (HJ) reachability analysis is a fundamental method for formally verifying safety and generating safe controllers. However, computing the HJ value function that characterizes the backward reachable set (BRS) of a set of user-defined failure states is computationally expensive, especially for high-dimensional systems, motivating the use of reinforcement learning approaches to approximate the value function. Unfortunately, a learned value function and its corresponding safe policy are not guaranteed to be correct. The learned value function evaluated at a given state may not be equal to the actual safety return achieved by following the learned safe policy. To address this challenge, we introduce a conformal prediction-based (CP) framework that bounds such uncertainty. We leverage CP to provide probabilistic safety guarantees when using learned HJ value functions and policies to prevent control systems from reaching failure states. Specifically, we use CP to calibrate the switching between the unsafe nominal controller and the learned HJ-based safe policy and to derive safety guarantees under this switched policy. We also investigate using an ensemble of independently trained HJ value functions as a safety filter and compare this ensemble approach to using individual value functions alone.
Authors: Zhao Yu, Xiuping Wu, Liangjun Ke
Abstract: Reinforcement learning (RL) has been recognized as a powerful tool for robot control tasks. RL typically employs reward functions to define task objectives and guide agent learning. However, since the reward function serves the dual purpose of defining the optimal goal and guiding learning, it is challenging to design the reward function manually, which often results in a suboptimal task representation. To tackle the reward design challenge in RL, inspired by the satisficing theory, we propose a Test-driven Reinforcement Learning (TdRL) framework. In the TdRL framework, multiple test functions are used to represent the task objective rather than a single reward function. Test functions can be categorized as pass-fail tests and indicative tests, each dedicated to defining the optimal objective and guiding the learning process, respectively, thereby making defining tasks easier. Building upon such a task definition, we first prove that if a trajectory return function assigns higher returns to trajectories closer to the optimal trajectory set, maximum entropy policy optimization based on this return function will yield a policy that is closer to the optimal policy set. Then, we introduce a lexicographic heuristic approach to compare the relative distance relationship between trajectories and the optimal trajectory set for learning the trajectory return function. Furthermore, we develop an algorithm implementation of TdRL. Experimental results on the DeepMind Control Suite benchmark demonstrate that TdRL matches or outperforms handcrafted reward methods in policy training, with greater design simplicity and inherent support for multi-objective optimization. We argue that TdRL offers a novel perspective for representing task objectives, which could be helpful in addressing the reward design challenges in RL applications.
Authors: Miroslav L\v{z}i\v{c}a\v{r}
Abstract: We introduce CellARC, a synthetic benchmark for abstraction and reasoning built from multicolor 1D cellular automata (CA). Each episode has five support pairs and one query serialized in 256 tokens, enabling rapid iteration with small models while exposing a controllable task space with explicit knobs for alphabet size k, radius r, rule family, Langton's lambda, query coverage, and cell entropy. We release 95k training episodes plus two 1k test splits (interpolation/extrapolation) and evaluate symbolic, recurrent, convolutional, transformer, recursive, and LLM baselines. CellARC decouples generalization from anthropomorphic priors, supports unlimited difficulty-controlled sampling, and enables reproducible studies of how quickly models infer new rules under tight budgets. Our strongest small-model baseline (a 10M-parameter vanilla transformer) outperforms recent recursive models (TRM, HRM), reaching 58.0%/32.4% per-token accuracy on the interpolation/extrapolation splits, while a large closed model (GPT-5 High) attains 62.3%/48.1% on subsets of 100 test tasks. An ensemble that chooses per episode between the Transformer and the best symbolic baseline reaches 65.4%/35.5%, highlighting neuro-symbolic complementarity. Leaderboard: https://cellarc.mireklzicar.com
Authors: Zhenyu Gu, Yanchen Xu, Sida Huang, Yubin Guo, Hongyuan Zhang
Abstract: Rectified Flow (RF) has been widely used as an effective generative model. Although RF is primarily based on probability flow Ordinary Differential Equations (ODE), recent studies have shown that injecting noise through reverse-time Stochastic Differential Equations (SDE) for sampling can achieve superior generative performance. Inspired by Positive-incentive Noise ($\pi$-noise), we propose an innovative generative algorithm to train $\pi$-noise generators, namely Rectified Noise ($\Delta$RN), which improves the generative performance by injecting $\pi$-noise into the velocity field of pre-trained RF models. After introducing the Rectified Noise pipeline, pre-trained RF models can be efficiently transformed into $\pi$-noise generators. We validate Rectified Noise by conducting extensive experiments across various model architectures on different datasets. Notably, we find that: (1) RF models using Rectified Noise reduce FID from \textbf{10.16 to 9.05} on ImageNet-1k. (2) The models of $\pi$-noise generators achieve improved performance with only \textbf{0.39\%} additional training parameters.
Authors: Yoonho Lee, Joseph Boen, Chelsea Finn
Abstract: We introduce \textit{Feedback Descent}, a framework that optimizes text artifacts -- prompts, code, and molecules -- through structured textual feedback, rather than relying solely on scalar rewards. By preserving detailed critiques instead of compressing them to binary preferences, Feedback Descent widens the information bottleneck in preference learning, enabling directed optimization in text space rather than weight space. We show that in-context learning can transform structured feedback into gradient-like directional information, enabling targeted edits. Unlike prior approaches that collapse judgments into single bits, our evaluators pair each comparison with textual feedback, which functions as high-bandwidth supervision. The iteration loop is done purely at inference time, without modifying any model weights, and is task-agnostic. We evaluate Feedback Descent on three diverse domains and find that it outperforms state-of-the-art prompt optimization (GEPA), reinforcement learning methods (GRPO, REINVENT), and even specialized graph-based molecular optimizers. In the DOCKSTRING molecule discovery benchmark, Feedback Descent identifies novel drug-like molecules surpassing the $99.9$th percentile of a database with more than $260{,}000$ compounds across six protein targets.
Authors: Weixuan Ou, Yanzhao Zheng, Shuoshuo Sun, Wei Zhang, Baohua Dong, Hangcheng Zhu, Ruohui Huang, Gang Yu, Pengwei Yan, Yifan Qiao
Abstract: Reinforcement Learning (RL) has been shown to improve the capabilities of large language models (LLMs). However, applying RL to open-domain tasks faces two key challenges: (1) the inherent subjectivity of these tasks prevents the verifiable rewards as required by Reinforcement Learning with Verifiable Rewards (RLVR); (2) Reinforcement Learning from Human Feedback (RLHF) relies on external reward mechanisms. To overcome these limitations, we propose Self-Examining Reinforcement Learning (SERL), a novel self-improving framework where the LLM serves as both Actor and Judge. SERL introduces two synergistic reward mechanisms without any external signals. On the one hand, to improve the Actor's capability, we derive rewards from Copeland-style pairwise comparison judgments across a group of generated responses. On the other hand, a self-consistency reward that encourages coherent judgments is proposed to improve the Judge's reliability. This process refines the Judge's capability, which in turn provides a more robust reward for Actor. Experiments show that our method outperforms existing self-improvement training methods. SERL improves the LC win rate of Qwen3-8B on AlpacaEval 2 from 52.37% to 59.90%. To the best of our knowledge, our method achieves state-of-the-art performance among self-improving approaches. Furthermore, it achieves a performance comparable to significantly larger models like Qwen3-32B, demonstrating superior effectiveness and robustness on open-domain tasks.
Authors: Dang Nha Nguyen, Hai Dang Nguyen, Khoa Tho Anh Nguyen
Abstract: Data augmentation in time series forecasting plays a crucial role in enhancing model performance by introducing variability while maintaining the underlying temporal patterns. However, time series data offers fewer augmentation strategies compared to fields such as image or text, with advanced techniques like Mixup rarely being used. In this work, we propose a novel approach, Imputation-Based Mixup Augmentation (IBMA), which combines Imputation-Augmented data with Mixup augmentation to bolster model generalization and improve forecasting performance. We evaluate the effectiveness of this method across several forecasting models, including DLinear (MLP), TimesNet (CNN), and iTrainformer (Transformer), these models represent some of the most recent advances in time series forecasting. Our experiments, conducted on four datasets (ETTh1, ETTh2, ETTm1, ETTm2) and compared against eight other augmentation techniques, demonstrate that IBMA consistently enhances performance, achieving 22 improvements out of 24 instances, with 10 of those being the best performances, particularly with iTrainformer imputation.
Authors: Chuanqing Pu, Feilong Fan, Nengling Tai, Yan Xu, Wentao Huang, Honglin Wen
Abstract: Power-logistics scheduling in modern seaports typically follow a predict-then-optimize pipeline. To enhance decision quality, decision-focused learning has been proposed to align forecasting and optimization via end-to-end training. However, most formulations assume a fixed task configuration in downstream optimization, and thus generalize poorly to evolving task structures induced by varying seaport vessel arrivals. We address this gap with a decision-focused continual learning framework that adapts online to a stream of scheduling tasks. Specifically, we introduce Fisher information based regularization to enhance cross-task generalization by preserving parameters critical to prior tasks. A differentiable convex surrogate is also developed to stabilize gradient backpropagation. The proposed approach enables learning a decision-aligned forecasting model for new scheduling tasks while retaining generalization on earlier tasks. Experiments calibrated to the Jurong Port demonstrate superior decision performance and generalization over existing methods with reduced computational cost.
Authors: Rishabh Agrawal, Yusuf Alvi, Rahul Jain, Ashutosh Nayyar
Abstract: Imitation Learning (IL) has proven highly effective for robotic and control tasks where manually designing reward functions or explicit controllers is infeasible. However, standard IL methods implicitly assume that the environment dynamics remain fixed between training and deployment. In practice, this assumption rarely holds where modeling inaccuracies, real-world parameter variations, and adversarial perturbations can all induce shifts in transition dynamics, leading to severe performance degradation. We address this challenge through Balance Equation-based Distributionally Robust Offline Imitation Learning, a framework that learns robust policies solely from expert demonstrations collected under nominal dynamics, without requiring further environment interaction. We formulate the problem as a distributionally robust optimization over an uncertainty set of transition models, seeking a policy that minimizes the imitation loss under the worst-case transition distribution. Importantly, we show that this robust objective can be reformulated entirely in terms of the nominal data distribution, enabling tractable offline learning. Empirical evaluations on continuous-control benchmarks demonstrate that our approach achieves superior robustness and generalization compared to state-of-the-art offline IL baselines, particularly under perturbed or shifted environments.
Authors: Justin Lee, Zheda Mai, Jinsu Yoo, Chongyu Fan, Cheng Zhang, Wei-Lun Chao
Abstract: Machine unlearning--the ability to remove designated concepts from a pre-trained model--has advanced rapidly, particularly for text-to-image diffusion models. However, existing methods typically assume that unlearning requests arrive all at once, whereas in practice they often arrive sequentially. We present the first systematic study of continual unlearning in text-to-image diffusion models and show that popular unlearning methods suffer from rapid utility collapse: after only a few requests, models forget retained knowledge and generate degraded images. We trace this failure to cumulative parameter drift from the pre-training weights and argue that regularization is crucial to addressing it. To this end, we study a suite of add-on regularizers that (1) mitigate drift and (2) remain compatible with existing unlearning methods. Beyond generic regularizers, we show that semantic awareness is essential for preserving concepts close to the unlearning target, and propose a gradient-projection method that constrains parameter drift orthogonal to their subspace. This substantially improves continual unlearning performance and is complementary to other regularizers for further gains. Taken together, our study establishes continual unlearning as a fundamental challenge in text-to-image generation and provides insights, baselines, and open directions for advancing safe and accountable generative AI.
Authors: Hyunseok Seung, Jaewoo Lee, Hyunsuk Ko
Abstract: We introduce LOREN, a curvature-aware zeroth-order (ZO) optimization method for fine-tuning large language models (LLMs). Existing ZO methods, which estimate gradients via finite differences using random perturbations, often suffer from high variance and suboptimal search directions. Our approach addresses these challenges by: (i) reformulating the problem of gradient preconditioning as that of adaptively estimating an anisotropic perturbation distribution for gradient estimation, (ii) capturing curvature through a low-rank block diagonal preconditioner using the framework of natural evolution strategies, and (iii) applying a REINFORCE leave-one-out (RLOO) gradient estimator to reduce variance. Experiments on standard LLM benchmarks show that our method outperforms state-of-the-art ZO methods by achieving higher accuracy and faster convergence, while cutting peak memory usage by up to 27.3% compared with MeZO-Adam.
Authors: Timo Stoll, Luis M\"uller, Christopher Morris
Abstract: Graph Transformers (GTs) have shown strong empirical performance, yet current architectures vary widely in their use of attention mechanisms, positional embeddings (PEs), and expressivity. Existing expressivity results are often tied to specific design choices and lack comprehensive empirical validation on large-scale data. This leaves a gap between theory and practice, preventing generalizable insights that exceed particular application domains. Here, we propose the Generalized-Distance Transformer (GDT), a GT architecture using standard attention that incorporates many advancements for GTs from recent years, and develop a fine-grained understanding of the GDT's representation power in terms of attention and PEs. Through extensive experiments, we identify design choices that consistently perform well across various applications, tasks, and model scales, demonstrating strong performance in a few-shot transfer setting without fine-tuning. Our evaluation covers over eight million graphs with roughly 270M tokens across diverse domains, including image-based object detection, molecular property prediction, code summarization, and out-of-distribution algorithmic reasoning. We distill our theoretical and practical findings into several generalizable insights about effective GT design, training, and inference.
Authors: Xinyu Wang, Jinxiao Du, Yiyang Peng, Wei Ma
Abstract: Decision-focused learning (DFL) has emerged as a powerful end-to-end alternative to conventional predict-then-optimize (PTO) pipelines by directly optimizing predictive models through downstream decision losses. Existing DFL frameworks are limited by their strictly sequential structure, referred to as sequential DFL (S-DFL). However, S-DFL fails to capture the bidirectional feedback between prediction and optimization in complex interaction scenarios. In view of this, we first time propose recursive decision-focused learning (R-DFL), a novel framework that introduces bidirectional feedback between downstream optimization and upstream prediction. We further extend two distinct differentiation methods: explicit unrolling via automatic differentiation and implicit differentiation based on fixed-point methods, to facilitate efficient gradient propagation in R-DFL. We rigorously prove that both methods achieve comparable gradient accuracy, with the implicit method offering superior computational efficiency. Extensive experiments on both synthetic and real-world datasets, including the newsvendor problem and the bipartite matching problem, demonstrate that R-DFL not only substantially enhances the final decision quality over sequential baselines but also exhibits robust adaptability across diverse scenarios in closed-loop decision-making problems.
Authors: Xueliang Zhao, Wei Wu, Jian Guan, Qintong Li, Lingpeng Kong
Abstract: In modern sequential decision-making systems, the construction of an optimal candidate action space is critical to efficient inference. However, existing approaches either rely on manually defined action spaces that lack scalability or utilize unstructured spaces that render exhaustive search computationally prohibitive. In this paper, we propose a novel framework named \textsc{DynaAct} for automatically constructing a compact action space to enhance sequential reasoning in complex problem-solving scenarios. Our method first estimates a proxy for the complete action space by extracting general sketches observed in a corpus covering diverse complex reasoning problems using large language models. We then formulate a submodular function that jointly evaluates candidate actions based on their utility to the current state and their diversity, and employ a greedy algorithm to select an optimal candidate set. Extensive experiments on six diverse standard benchmarks demonstrate that our approach significantly improves overall performance, while maintaining efficient inference without introducing substantial latency. The implementation is available at https://github.com/zhaoxlpku/DynaAct.
Authors: Nadav Merlis, Kyoungseok Jang, Nicol\`o Cesa-Bianchi
Abstract: We study an online linear regression setting in which the observed feature vectors are corrupted by noise and the learner can pay to reduce the noise level. In practice, this may happen for several reasons: for example, because features can be measured more accurately using more expensive equipment, or because data providers can be incentivized to release less private features. Assuming feature vectors are drawn i.i.d. from a fixed but unknown distribution, we measure the learner's regret against the linear predictor minimizing a notion of loss that combines the prediction error and payment. When the mapping between payments and noise covariance is known, we prove that the rate $\sqrt{T}$ is optimal for regret if logarithmic factors are ignored. When the noise covariance is unknown, we show that the optimal regret rate becomes of order $T^{2/3}$ (ignoring log factors). Our analysis leverages matrix martingale concentration, showing that the empirical loss uniformly converges to the expected one for all payments and linear predictors.
Authors: Jinbo Li, Peng Liu, Long Chen, Witold Pedrycz, Weiping Ding
Abstract: The integration of different learning paradigms has long been a focus of machine learning research, aimed at overcoming the inherent limitations of individual methods. Fuzzy rule-based models excel in interpretability and have seen widespread application across diverse fields. However, they face challenges such as complex design specifications and scalability issues with large datasets. The fusion of different techniques and strategies, particularly Gradient Boosting, with Fuzzy Rule-Based Models offers a robust solution to these challenges. This paper proposes an Integrated Fusion Framework that merges the strengths of both paradigms to enhance model performance and interpretability. At each iteration, a Fuzzy Rule-Based Model is constructed and controlled by a dynamic factor to optimize its contribution to the overall ensemble. This control factor serves multiple purposes: it prevents model dominance, encourages diversity, acts as a regularization parameter, and provides a mechanism for dynamic tuning based on model performance, thus mitigating the risk of overfitting. Additionally, the framework incorporates a sample-based correction mechanism that allows for adaptive adjustments based on feedback from a validation set. Experimental results substantiate the efficacy of the presented gradient boosting framework for fuzzy rule-based models, demonstrating performance enhancement, especially in terms of mitigating overfitting and complexity typically associated with many rules. By leveraging an optimal factor to govern the contribution of each model, the framework improves performance, maintains interpretability, and simplifies the maintenance and update of the models.
Authors: Ziyu Fan, Zhijian Huang, Yahan Li, Xiaowen Hu, Siyuan Shen, Yunliang Wang, Zeyu Zhong, Shuhong Liu, Shuning Yang, Shangqian Wu, Min Wu, Lei Deng
Abstract: Property-constrained molecular generation and editing are crucial in AI-driven drug discovery but remain hindered by two factors: (i) capturing the complex relationships between molecular structures and multiple properties remains challenging, and (ii) the narrow coverage and incomplete annotations of molecular properties weaken the effectiveness of property-based models. To tackle these limitations, we propose HSPAG, a data-efficient framework featuring hierarchical structure-property alignment. By treating SMILES and molecular properties as complementary modalities, the model learns their relationships at atom, substructure, and whole-molecule levels. Moreover, we select representative samples through scaffold clustering and hard samples via an auxiliary variational auto-encoder (VAE), substantially reducing the required pre-training data. In addition, we incorporate a property relevance-aware masking mechanism and diversified perturbation strategies to enhance generation quality under sparse annotations. Experiments demonstrate that HSPAG captures fine-grained structure-property relationships and supports controllable generation under multiple property constraints. Two real-world case studies further validate the editing capabilities of HSPAG.
Authors: William Hu, Drew Wadsworth, Sean Siddens, Stanley Winata, Daniel Y. Fu, Ryann Swann, Muhammad Osama, Christopher R\'e, Simran Arora
Abstract: AMD GPUs offer state-of-the-art compute and memory bandwidth; however, peak performance AMD kernels are written in raw assembly. To address the difficulty of mapping AI algorithms to hardware, recent work proposes C++ embedded and PyTorch-inspired domain-specific languages like ThunderKittens (TK) to simplify high performance AI kernel development on NVIDIA hardware. We explore the extent to which such primitives -- for explicit tile-based programming with optimized memory accesses and fine-grained asynchronous execution across workers -- are NVIDIA-specific or general. We provide the first detailed study of the programming primitives that lead to performant AMD AI kernels, and we encapsulate these insights in the HipKittens (HK) programming framework. We find that tile-based abstractions used in prior DSLs generalize to AMD GPUs, however we need to rethink the algorithms that instantiate these abstractions for AMD. We validate the HK primitives across CDNA3 and CDNA4 AMD platforms. In evaluations, HK kernels compete with AMD's hand-optimized assembly kernels for GEMMs and attention, and consistently outperform compiler baselines. Moreover, assembly is difficult to scale to the breadth of AI workloads; reflecting this, in some settings HK outperforms all available kernel baselines by $1.2-2.4\times$ (e.g., $d=64$ attention, GQA backwards, memory-bound kernels). These findings help pave the way for a single, tile-based software layer for high-performance AI kernels that translates across GPU vendors. HipKittens is released at: https://github.com/HazyResearch/HipKittens.
Authors: Muthukumar Pandaram, Jakob Hollenstein, David Drexel, Samuele Tosatto, Antonio Rodr\'iguez-S\'anchez, Justus Piater
Abstract: The use of learned dynamics models, also known as world models, can improve the sample efficiency of reinforcement learning. Recent work suggests that the underlying causal graphs of such dynamics models are sparsely connected, with each of the future state variables depending only on a small subset of the current state variables, and that learning may therefore benefit from sparsity priors. Similarly, temporal sparsity, i.e. sparsely and abruptly changing local dynamics, has also been proposed as a useful inductive bias. In this work, we critically examine these assumptions by analyzing ground-truth dynamics from a set of robotic reinforcement learning environments in the MuJoCo Playground benchmark suite, aiming to determine whether the proposed notions of state and temporal sparsity actually tend to hold in typical reinforcement learning tasks. We study (i) whether the causal graphs of environment dynamics are sparse, (ii) whether such sparsity is state-dependent, and (iii) whether local system dynamics change sparsely. Our results indicate that global sparsity is rare, but instead the tasks show local, state-dependent sparsity in their dynamics and this sparsity exhibits distinct structures, appearing in temporally localized clusters (e.g., during contact events) and affecting specific subsets of state dimensions. These findings challenge common sparsity prior assumptions in dynamics learning, emphasizing the need for grounded inductive biases that reflect the state-dependent sparsity structure of real-world dynamics.
Authors: Kaicheng Zhang, David N. Reynolds, Piero Deidda, Francesco Tudisco
Abstract: Oscillatory Graph Neural Networks (OGNNs) are an emerging class of physics-inspired architectures designed to mitigate oversmoothing and vanishing gradient problems in deep GNNs. In this work, we introduce the Complex-Valued Stuart-Landau Graph Neural Network (SLGNN), a novel architecture grounded in Stuart-Landau oscillator dynamics. Stuart-Landau oscillators are canonical models of limit-cycle behavior near Hopf bifurcations, which are fundamental to synchronization theory and are widely used in e.g. neuroscience for mesoscopic brain modeling. Unlike harmonic oscillators and phase-only Kuramoto models, Stuart-Landau oscillators retain both amplitude and phase dynamics, enabling rich phenomena such as amplitude regulation and multistable synchronization. The proposed SLGNN generalizes existing phase-centric Kuramoto-based OGNNs by allowing node feature amplitudes to evolve dynamically according to Stuart-Landau dynamics, with explicit tunable hyperparameters (such as the Hopf-parameter and the coupling strength) providing additional control over the interplay between feature amplitudes and network structure. We conduct extensive experiments across node classification, graph classification, and graph regression tasks, demonstrating that SLGNN outperforms existing OGNNs and establishes a novel, expressive, and theoretically grounded framework for deep oscillatory architectures on graphs.
Authors: Jorge Paz-Ruza, Jo\~ao Gama, Amparo Alonso-Betanzos, Bertha Guijarro-Berdi\~nas
Abstract: Sustainability and efficiency have become essential considerations in the development and deployment of Artificial Intelligence systems, yet existing regulatory and reporting practices lack standardized, model-agnostic evaluation protocols. Current assessments often measure only short-term experimental resource usage and disproportionately emphasize batch learning settings, failing to reflect real-world, long-term AI lifecycles. In this work, we propose a comprehensive evaluation protocol for assessing the long-term sustainability of ML models, applicable to both batch and streaming learning scenarios. Through experiments on diverse classification tasks using a range of model types, we demonstrate that traditional static train-test evaluations do not reliably capture sustainability under evolving data and repeated model updates. Our results show that long-term sustainability varies significantly across models, and in many cases, higher environmental cost yields little performance benefit.
Authors: Returaj Burnwal, Nirav Pravinbhai Bhatt, Balaraman Ravindran
Abstract: In this work, we study the problem of offline safe imitation learning (IL). In many real-world settings, online interactions can be risky, and accurately specifying the reward and the safety cost information at each timestep can be difficult. However, it is often feasible to collect trajectories reflecting undesirable or risky behavior, implicitly conveying the behavior the agent should avoid. We refer to these trajectories as non-preferred trajectories. Unlike standard IL, which aims to mimic demonstrations, our agent must also learn to avoid risky behavior using non-preferred trajectories. In this paper, we propose a novel approach, SafeMIL, to learn a parameterized cost that predicts if the state-action pair is risky via \textit{Multiple Instance Learning}. The learned cost is then used to avoid non-preferred behaviors, resulting in a policy that prioritizes safety. We empirically demonstrate that our approach can learn a safer policy that satisfies cost constraints without degrading the reward performance, thereby outperforming several baselines.
Authors: Anna Lackinger, Andrea Morichetta, Pantelis A. Frangoudis, Schahram Dustdar
Abstract: Federated Learning (FL) is a promising machine learning solution in large-scale IoT systems, guaranteeing load distribution and privacy. However, FL does not natively consider infrastructure efficiency, a critical concern for systems operating in resource-constrained environments. Several Reinforcement Learning (RL) based solutions offer improved client selection for FL; however, they do not consider infrastructure challenges, such as resource limitations and device churn. Furthermore, the training of RL methods is often not designed for practical application, as these approaches frequently do not consider generalizability and are not optimized for energy efficiency. To fill this gap, we propose BIPPO (Budget-aware Independent Proximal Policy Optimization), which is an energy-efficient multi-agent RL solution that improves performance. We evaluate BIPPO on two image classification tasks run in a highly budget-constrained setting, with FL clients training on non-IID data, a challenging context for vanilla FL. The improved sampler of BIPPO enables it to increase the mean accuracy compared to non-RL mechanisms, traditional PPO, and IPPO. In addition, BIPPO only consumes a negligible proportion of the budget, which stays consistent even if the number of clients increases. Overall, BIPPO delivers a performant, stable, scalable, and sustainable solution for client selection in IoT-FL.
Authors: Hang Xu, Kai Li, Haobo Fu, Qiang Fu, Junliang Xing, Jian Cheng
Abstract: Counterfactual regret minimization (CFR) is a family of algorithms for effectively solving imperfect-information games. To enhance CFR's applicability in large games, researchers use neural networks to approximate its behavior. However, existing methods are mainly based on vanilla CFR and struggle to effectively integrate more advanced CFR variants. In this work, we propose an efficient model-free neural CFR algorithm, overcoming the limitations of existing methods in approximating advanced CFR variants. At each iteration, it collects variance-reduced sampled advantages based on a value network, fits cumulative advantages by bootstrapping, and applies discounting and clipping operations to simulate the update mechanisms of advanced CFR variants. Experimental results show that, compared with model-free neural algorithms, it exhibits faster convergence in typical imperfect-information games and demonstrates stronger adversarial performance in a large poker game.
Authors: Tai Hoang, Alessandro Trenta, Alessio Gravina, Niklas Freymuth, Philipp Becker, Davide Bacciu, Gerhard Neumann
Abstract: Learning to simulate complex physical systems from data has emerged as a promising way to overcome the limitations of traditional numerical solvers, which often require prohibitive computational costs for high-fidelity solutions. Recent Graph Neural Simulators (GNSs) accelerate simulations by learning dynamics on graph-structured data, yet often struggle to capture long-range interactions and suffer from error accumulation under autoregressive rollouts. To address these challenges, we propose Information-preserving Graph Neural Simulators (IGNS), a graph-based neural simulator built on the principles of Hamiltonian dynamics. This structure guarantees preservation of information across the graph, while extending to port-Hamiltonian systems allows the model to capture a broader class of dynamics, including non-conservative effects. IGNS further incorporates a warmup phase to initialize global context, geometric encoding to handle irregular meshes, and a multi-step training objective to reduce rollout error. To evaluate these properties systematically, we introduce new benchmarks that target long-range dependencies and challenging external forcing scenarios. Across all tasks, IGNS consistently outperforms state-of-the-art GNSs, achieving higher accuracy and stability under challenging and complex dynamical systems.
Authors: Rapha\"el Bayle, Martial Mermillod, Robert M. French
Abstract: In order to achieve Continual Learning (CL), the problem of catastrophic forgetting, one that has plagued neural networks since their inception, must be overcome. The evaluation of continual learning methods relies on splitting a known homogeneous dataset and learning the associated tasks one after the other. We argue that most CL methods introduce a priori information about the data to come and cannot be considered agnostic. We exemplify this point with the case of methods relying on pretrained feature extractors, which are still used in CL. After showing that pretrained feature extractors imply a loss of generality with respect to the data that can be learned by the model, we then discuss other kinds of a priori information introduced in other CL methods. We then present the Online Patch Redundancy Eliminator (OPRE), an online dataset compression algorithm, which, along with the training of a classifier at test time, yields performance on CIFAR-10 and CIFAR-100 superior to a number of other state-of-the-art online continual learning methods. Additionally, OPRE requires only minimal and interpretable hypothesis on the data to come. We suggest that online dataset compression could well be necessary to achieve fully agnostic CL.
Authors: Junkai Lu, Peng Chen, Chenjuan Guo, Yang Shu, Meng Wang, Bin Yang
Abstract: Time series forecasting is critical for decision-making across dynamic domains such as energy, finance, transportation, and cloud computing. However, real-world time series often exhibit non-stationarity, including temporal distribution shifts and spectral variability, which pose significant challenges for long-term time series forecasting. In this paper, we propose DTAF, a dual-branch framework that addresses non-stationarity in both the temporal and frequency domains. For the temporal domain, the Temporal Stabilizing Fusion (TFS) module employs a non-stationary mix of experts (MOE) filter to disentangle and suppress temporal non-stationary patterns while preserving long-term dependencies. For the frequency domain, the Frequency Wave Modeling (FWM) module applies frequency differencing to dynamically highlight components with significant spectral shifts. By fusing the complementary outputs of TFS and FWM, DTAF generates robust forecasts that adapt to both temporal and frequency domain non-stationarity. Extensive experiments on real-world benchmarks demonstrate that DTAF outperforms state-of-the-art baselines, yielding significant improvements in forecasting accuracy under non-stationary conditions. All codes are available at https://github.com/PandaJunk/DTAF.
Authors: Zhihao Lin, Lin Wu, Zhen Tian, Jianglin Lan
Abstract: Exploration in reinforcement learning remains a critical challenge, as naive entropy maximization often results in high variance and inefficient policy updates. We introduce \textbf{PrefPoE}, a novel \textit{Preference-Product-of-Experts} framework that performs intelligent, advantage-guided exploration via the first principled application of product-of-experts (PoE) fusion for single-task exploration-exploitation balancing. By training a preference network to concentrate probability mass on high-advantage actions and fusing it with the main policy through PoE, PrefPoE creates a \textbf{soft trust region} that stabilizes policy updates while maintaining targeted exploration. Across diverse control tasks spanning both continuous and discrete action spaces, PrefPoE demonstrates consistent improvements: +321\% on HalfCheetah-v4 (1276~$\rightarrow$~5375), +69\% on Ant-v4, +276\% on LunarLander-v2, with consistently enhanced training stability and sample efficiency. Unlike standard PPO, which suffers from entropy collapse, PrefPoE sustains adaptive exploration through its unique dynamics, thereby preventing premature convergence and enabling superior performance. Our results establish that learning \textit{where to explore} through advantage-guided preferences is as crucial as learning how to act, offering a general framework for enhancing policy gradient methods across the full spectrum of reinforcement learning domains. Code and pretrained models are available in supplementary materials.
Authors: Xianshuai Shi, Jianfeng Zhu, Leibo Liu
Abstract: The Transformer architecture has achieved tremendous success in natural language processing, computer vision, and scientific computing through its self-attention mechanism. However, its core components-positional encoding and attention mechanisms-have lacked a unified physical or mathematical interpretation. This paper proposes a structural theoretical framework that integrates positional encoding, kernel integral operators, and attention mechanisms for in-depth theoretical investigation. We map discrete positions (such as text token indices and image pixel coordinates) to spatial functions on continuous manifolds, enabling a field-theoretic interpretation of Transformer layers as kernel-modulated operators acting over embedded manifolds.
Authors: Fedor Sergeev, Manuel Burger, Polina Leshetkina, Vincent Fortuin, Gunnar R\"atsch, Rita Kuznetsova
Abstract: Clinical time series data are critical for patient monitoring and predictive modeling. These time series are typically multivariate and often comprise hundreds of heterogeneous features from different data sources. The grouping of features based on similarity and relevance to the prediction task has been shown to enhance the performance of deep learning architectures. However, defining these groups a priori using only semantic knowledge is challenging, even for domain experts. To address this, we propose a novel method that learns feature groups by clustering weights of feature-wise embedding layers. This approach seamlessly integrates into standard supervised training and discovers the groups that directly improve downstream performance on clinically relevant tasks. We demonstrate that our method outperforms static clustering approaches on synthetic data and achieves performance comparable to expert-defined groups on real-world medical data. Moreover, the learned feature groups are clinically interpretable, enabling data-driven discovery of task-relevant relationships between variables.
Authors: Yi Cai, Thibaud Ardoin, Mayank Gulati, Gerhard Wunder
Abstract: Feature attribution has gained prominence as a tool for explaining model decisions, yet evaluating explanation quality remains challenging due to the absence of ground-truth explanations. To circumvent this, explanation-guided input manipulation has emerged as an indirect evaluation strategy, measuring explanation effectiveness through the impact of input modifications on model outcomes during inference. Despite the widespread use, a major concern with inference-based schemes is the distribution shift caused by such manipulations, which undermines the reliability of their assessments. The retraining-based scheme ROAR overcomes this issue by adapting the model to the altered data distribution. However, its evaluation results often contradict the theoretical foundations of widely accepted explainers. This work investigates this misalignment between empirical observations and theoretical expectations. In particular, we identify the sign issue as a key factor responsible for residual information that ultimately distorts retraining-based evaluation. Based on the analysis, we show that a straightforward reframing of the evaluation process can effectively resolve the identified issue. Building on the existing framework, we further propose novel variants that jointly structure a comprehensive perspective on explanation evaluation. These variants largely improve evaluation efficiency over the standard retraining protocol, thereby enhancing practical applicability for explainer selection and benchmarking. Following our proposed schemes, empirical results across various data scales provide deeper insights into the performance of carefully selected explainers, revealing open challenges and future directions in explainability research.
Authors: Xiang Chen, Kun Yue, Wenjie Liu, Zhenyu Zhang, Liang Duan
Abstract: Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message passing mechanism of GNN and the quadratic computational complexity of contrastive loss over positive and negative node pairs. To address these issues, we propose an efficient GCL framework that transforms the input graph into a compact network of interconnected node sets while preserving structural information across communities. We firstly introduce a kernelized graph community contrastive loss with linear complexity, enabling effective information transfer among node sets to capture hierarchical structural information of the graph. We then incorporate a knowledge distillation technique into the decoupled GNN architecture to accelerate inference while maintaining strong generalization performance. Extensive experiments on sixteen real-world datasets of varying scales demonstrate that our method outperforms state-of-the-art GCL baselines in both effectiveness and scalability.
Authors: Ly Tran Ho Khanh, Dongxuan Zhu, Man-Chung Yue, Viet Anh Nguyen
Abstract: Best-of-$N$ reasoning improves the accuracy of language models in solving complex tasks by sampling multiple candidate solutions and then selecting the best one based on some criteria. A critical bottleneck for this strategy is the output diversity limit, which occurs when the model generates similar outputs despite stochastic sampling, and hence recites the same error. To address this lack of variance in reasoning paths, we propose a novel unsupervised activation steering strategy that simultaneously optimizes the steering vectors for multiple reasoning trajectories at test time. At any synchronization anchor along the batch generation process, we find the steering vectors that maximize the total volume spanned by all possible intervened activation subsets. We demonstrate that these steering vectors can be determined by solving a Riemannian optimization problem over the product of spheres with a log-determinant objective function. We then use a Riemannian block-coordinate descent algorithm with a well-tuned learning rate to obtain a stationary point of the problem, and we apply these steering vectors until the generation process reaches the subsequent synchronization anchor. Empirical evaluations on popular mathematical benchmarks demonstrate that our test-time Riemannian activation steering strategy outperforms vanilla sampling techniques in terms of generative diversity and solution accuracy.
Authors: Xiaoyu Fan, Lin Guo, Ruizhen Jia, Yang Tian, Zhihao Yang, Boxue Tian
Abstract: Artificial Intelligence (AI)-aided drug discovery is an active research field, yet AI models often exhibit poor accuracy in regression tasks for molecular property prediction, and perform catastrophically poorly for out-of-distribution (OOD) molecules. Here, we present MolRuleLoss, a substructure-substitution-rule-informed framework that improves the accuracy and generalizability of multiple molecular property regression models (MPRMs) such as GEM and UniMol for diverse molecular property prediction tasks. MolRuleLoss incorporates partial derivative constraints for substructure substitution rules (SSRs) into an MPRM's loss function. When using GEM models for predicting lipophilicity, water solubility, and solvation-free energy (using lipophilicity, ESOL, and freeSolv datasets from MoleculeNet), the root mean squared error (RMSE) values with and without MolRuleLoss were 0.587 vs. 0.660, 0.777 vs. 0.798, and 1.252 vs. 1.877, respectively, representing 2.6-33.3% performance improvements. We show that both the number and the quality of SSRs contribute to the magnitude of prediction accuracy gains obtained upon adding MolRuleLoss to an MPRM. MolRuleLoss improved the generalizability of MPRMs for "activity cliff" molecules in a lipophilicity prediction task and improved the generalizability of MPRMs for OOD molecules in a melting point prediction task. In a molecular weight prediction task for OOD molecules, MolRuleLoss reduced the RMSE value of a GEM model from 29.507 to 0.007. We also provide a formal demonstration that the upper bound of the variation for property change of SSRs is positively correlated with an MPRM's error. Together, we show that using the MolRuleLoss framework as a bolt-on boosts the prediction accuracy and generalizability of multiple MPRMs, supporting diverse applications in areas like cheminformatics and AI-aided drug discovery.
Authors: Eunice Chan, Hanghang Tong
Abstract: With the growing adoption of AI and machine learning systems in real-world applications, ensuring their fairness has become increasingly critical. The majority of the work in algorithmic fairness focus on assessing and improving the fairness of machine learning systems. There is relatively little research on fairness vulnerability, i.e., how an AI system's fairness can be intentionally compromised. In this work, we first provide a theoretical analysis demonstrating that a simple adversarial poisoning strategy is sufficient to induce maximally unfair behavior in naive Bayes classifiers. Our key idea is to strategically inject a small fraction of carefully crafted adversarial data points into the training set, biasing the model's decision boundary to disproportionately affect a protected group while preserving generalizable performance. To illustrate the practical effectiveness of our method, we conduct experiments across several benchmark datasets and models. We find that our attack significantly outperforms existing methods in degrading fairness metrics across multiple models and datasets, often achieving substantially higher levels of unfairness with a comparable or only slightly worse impact on accuracy. Notably, our method proves effective on a wide range of models, in contrast to prior work, demonstrating a robust and potent approach to compromising the fairness of machine learning systems.
Authors: Ruiyu Qiu, Rui Wang, Guanghui Yang, Xiang Li, Zhijiang Shao
Abstract: Lexicographic multi-objective problems, which consist of multiple conflicting subtasks with explicit priorities, are common in real-world applications. Despite the advantages of Reinforcement Learning (RL) in single tasks, extending conventional RL methods to prioritized multiple objectives remains challenging. In particular, traditional Safe RL and Multi-Objective RL (MORL) methods have difficulty enforcing priority orderings efficiently. Therefore, Lexicographic Multi-Objective RL (LMORL) methods have been developed to address these challenges. However, existing LMORL methods either rely on heuristic threshold tuning with prior knowledge or are restricted to discrete domains. To overcome these limitations, we propose Lexicographically Projected Policy Gradient RL (LPPG-RL), a novel LMORL framework which leverages sequential gradient projections to identify feasible policy update directions, thereby enabling LPPG-RL broadly compatible with all policy gradient algorithms in continuous spaces. LPPG-RL reformulates the projection step as an optimization problem, and utilizes Dykstra's projection rather than generic solvers to deliver great speedups, especially for small- to medium-scale instances. In addition, LPPG-RL introduces Subproblem Exploration (SE) to prevent gradient vanishing, accelerate convergence and enhance stability. We provide theoretical guarantees for convergence and establish a lower bound on policy improvement. Finally, through extensive experiments in a 2D navigation environment, we demonstrate the effectiveness of LPPG-RL, showing that it outperforms existing state-of-the-art continuous LMORL methods.
Authors: Andrey Savchenko, Oleg Kachan
Abstract: Accurate forecasting of multivariate time series data remains a formidable challenge, particularly due to the growing complexity of temporal dependencies in real-world scenarios. While neural network-based models have achieved notable success in this domain, complex channel-dependent models often suffer from performance degradation compared to channel-independent models that do not consider the relationship between components but provide high robustness due to small capacity. In this work, we propose HN-MVTS, a novel architecture that integrates a hypernetwork-based generative prior with an arbitrary neural network forecasting model. The input of this hypernetwork is a learnable embedding matrix of time series components. To restrict the number of new parameters, the hypernetwork learns to generate the weights of the last layer of the target forecasting networks, serving as a data-adaptive regularizer that improves generalization and long-range predictive accuracy. The hypernetwork is used only during the training, so it does not increase the inference time compared to the base forecasting model. Extensive experiments on eight benchmark datasets demonstrate that application of HN-MVTS to the state-of-the-art models (DLinear, PatchTST, TSMixer, etc.) typically improves their performance. Our findings suggest that hypernetwork-driven parameterization offers a promising direction for enhancing existing forecasting techniques in complex scenarios.
Authors: Helena Monke, Benjamin Sae-Chew, Benjamin Fresz, Marco F. Huber
Abstract: The complexity and opacity of neural networks (NNs) pose significant challenges, particularly in high-stakes fields such as healthcare, finance, and law, where understanding decision-making processes is crucial. To address these issues, the field of explainable artificial intelligence (XAI) has developed various methods aimed at clarifying AI decision-making, thereby facilitating appropriate trust and validating the fairness of outcomes. Among these methods, prototype-based explanations offer a promising approach that uses representative examples to elucidate model behavior. However, a critical gap exists regarding standardized benchmarks to objectively compare prototype-based XAI methods, especially in the context of time series data. This lack of reliable benchmarks results in subjective evaluations, hindering progress in the field. We aim to establish a robust framework, ProtoScore, for assessing prototype-based XAI methods across different data types with a focus on time series data, facilitating fair and comprehensive evaluations. By integrating the Co-12 properties of Nauta et al., this framework allows for effectively comparing prototype methods against each other and against other XAI methods, ultimately assisting practitioners in selecting appropriate explanation methods while minimizing the costs associated with user studies. All code is publicly available at https://github.com/HelenaM23/ProtoScore .
Authors: Soham Basu, Frank Hutter, Danny Stoll
Abstract: While Deep Learning (DL) experts often have prior knowledge about which hyperparameter settings yield strong performance, only few Hyperparameter Optimization (HPO) algorithms can leverage such prior knowledge and none incorporate priors over multiple objectives. As DL practitioners often need to optimize not just one but many objectives, this is a blind spot in the algorithmic landscape of HPO. To address this shortcoming, we introduce PriMO, the first HPO algorithm that can integrate multi-objective user beliefs. We show PriMO achieves state-of-the-art performance across 8 DL benchmarks in the multi-objective and single-objective setting, clearly positioning itself as the new go-to HPO algorithm for DL practitioners.
Authors: Zhiwei Zhang, Xinyi Du, Xuanchi Guo, Weihao Wang, Wenjuan Han
Abstract: Multivariate time series forecasting is crucial across a wide range of domains. While presenting notable progress for the Transformer architecture, iTransformer still lags behind the latest MLP-based models. We attribute this performance gap to unstable inter-channel relationships. To bridge this gap, we propose EMAformer, a simple yet effective model that enhances the Transformer with an auxiliary embedding suite, akin to armor that reinforces its ability. By introducing three key inductive biases, i.e., \textit{global stability}, \textit{phase sensitivity}, and \textit{cross-axis specificity}, EMAformer unlocks the further potential of the Transformer architecture, achieving state-of-the-art performance on 12 real-world benchmarks and reducing forecasting errors by an average of 2.73\% in MSE and 5.15\% in MAE. This significantly advances the practical applicability of Transformer-based approaches for multivariate time series forecasting. The code is available on https://github.com/PlanckChang/EMAformer.
Authors: Hua Ye (Nanjing University, Airon Technology CO. LTD), Hang Ding (University of Bristol), Siyuan Chen (The Hong Kong Polytechnic University), Yiyang Jiang (Shanghai Jiao Tong University), Changyuan Zhang (The University of Hong Kong), Xuan Zhang (Airon Technology CO. LTD, Carnegie Mellon University)
Abstract: Most multimodal models treat every negative pair alike, ignoring the ambiguous negatives that differ from the positive by only a small detail. We propose Boundary-Aware Curriculum with Local Attention (BACL), a lightweight add-on that turns these borderline cases into a curriculum signal. A Boundary-aware Negative Sampler gradually raises difficulty, while a Contrastive Local Attention loss highlights where the mismatch occurs. The two modules are fully differentiable and work with any off-the-shelf dual encoder. Theory predicts a fast O(1/n) error rate; practice shows up to +32% R@1 over CLIP and new SOTA on four large-scale benchmarks, all without extra labels.
Authors: Ruochuan Shi, Runyu Lu, Yuanheng Zhu, Dongbin Zhao
Abstract: In graph-structured multi-agent reinforcement learning (MARL) adversarial tasks such as pursuit and confrontation, agents must coordinate under highly dynamic interactions, where sparse rewards hinder efficient policy learning. We propose Adaptive Regularized Multi-Agent Soft Actor-Critic (ARAC), which integrates an attention-based graph neural network (GNN) for modeling agent dependencies with an adaptive divergence regularization mechanism. The GNN enables expressive representation of spatial relations and state features in graph environments. Divergence regularization can serve as policy guidance to alleviate the sparse reward problem, but it may lead to suboptimal convergence when the reference policy itself is imperfect. The adaptive divergence regularization mechanism enables the framework to exploit reference policies for efficient exploration in the early stages, while gradually reducing reliance on them as training progresses to avoid inheriting their limitations. Experiments in pursuit and confrontation scenarios demonstrate that ARAC achieves faster convergence, higher final success rates, and stronger scalability across varying numbers of agents compared with MARL baselines, highlighting its effectiveness in complex graph-structured environments.
Authors: Xiyuan Wei, Chih-Jen Lin, Tianbao Yang
Abstract: Accurately estimating the normalization term (also known as the partition function) in the contrastive loss is a central challenge for training Contrastive Language-Image Pre-training (CLIP) models. Conventional methods rely on large batches for approximation, demanding substantial computational resources. To mitigate this issue, prior works introduced per-sample normalizer estimators, which are updated at each epoch in a blockwise coordinate manner to keep track of updated encoders. However, this scheme incurs optimization error that scales with the ratio of dataset size to batch size, limiting effectiveness for large datasets or small batches. To overcome this limitation, we propose NeuCLIP, a novel and elegant optimization framework based on two key ideas: (i) $\textbf{reformulating}$ the contrastive loss for each sample $\textbf{via convex analysis}$ into a minimization problem with an auxiliary variable representing its log-normalizer; and (ii) $\textbf{transforming}$ the resulting minimization over $n$ auxiliary variables (where $n$ is the dataset size) via $\textbf{variational analysis}$ into the minimization over a compact neural network that predicts the log-normalizers. We design an alternating optimization algorithm that jointly trains the CLIP model and the auxiliary network. By employing a tailored architecture and acceleration techniques for the auxiliary network, NeuCLIP achieves more accurate normalizer estimation, leading to improved performance compared with previous methods. Extensive experiments on large-scale CLIP training, spanning datasets from millions to billions of samples, demonstrate that NeuCLIP outperforms previous methods.
Authors: Hannah Lydon, Milad Kazemi, Martin Bishop, Nicola Paoletti
Abstract: Accurately simulating systems governed by PDEs, such as voltage fields in cardiac electrophysiology (EP) modelling, remains a significant modelling challenge. Traditional numerical solvers are computationally expensive and sensitive to discretisation, while canonical deep learning methods are data-hungry and struggle with chaotic dynamics and long-term predictions. Physics-Informed Neural Networks (PINNs) mitigate some of these issues by incorporating physical constraints in the learning process, yet they remain limited by mesh resolution and long-term predictive stability. In this work, we propose a Physics-Informed Neural Operator (PINO) approach to solve PDE problems in cardiac EP. Unlike PINNs, PINO models learn mappings between function spaces, allowing them to generalise to multiple mesh resolutions and initial conditions. Our results show that PINO models can accurately reproduce cardiac EP dynamics over extended time horizons and across multiple propagation scenarios, including zero-shot evaluations on scenarios unseen during training. Additionally, our PINO models maintain high predictive quality in long roll-outs (where predictions are recursively fed back as inputs), and can scale their predictive resolution by up to 10x the training resolution. These advantages come with a significant reduction in simulation time compared to numerical PDE solvers, highlighting the potential of PINO-based approaches for efficient and scalable cardiac EP simulations.
Authors: Zeyang Li, Kaveh Alim, Navid Azizan
Abstract: Diffusion and flow-matching have emerged as powerful methodologies for generative modeling, with remarkable success in capturing complex data distributions and enabling flexible guidance at inference time. Many downstream applications, however, demand enforcing hard constraints on generated samples (for example, robot trajectories must avoid obstacles), a requirement that goes beyond simple guidance. Prevailing projection-based approaches constrain the entire sampling path to the constraint manifold, which is overly restrictive and degrades sample quality. In this paper, we introduce a novel framework that reformulates hard-constrained sampling as a trajectory optimization problem. Our key insight is to leverage numerical optimal control to steer the sampling trajectory so that constraints are satisfied precisely at the terminal time. By exploiting the underlying structure of flow-matching models and adopting techniques from model predictive control, we transform this otherwise complex constrained optimization problem into a tractable surrogate that can be solved efficiently and effectively. Furthermore, this trajectory optimization perspective offers significant flexibility beyond mere constraint satisfaction, allowing for the inclusion of integral costs to minimize distribution shift and terminal objectives to further enhance sample quality, all within a unified framework. We provide a control-theoretic analysis of our method, establishing bounds on the approximation error between our tractable surrogate and the ideal formulation. Extensive experiments across diverse domains, including robotics (planning), partial differential equations (boundary control), and vision (text-guided image editing), demonstrate that our algorithm, which we name $\textit{HardFlow}$, substantially outperforms existing methods in both constraint satisfaction and sample quality.
Authors: Linda-Sophie Schneider, Yipeng Sun, Chengze Ye, Markus Michen, Andreas Maier
Abstract: Deep learning has brought significant advancements to X-ray Computed Tomography (CT) reconstruction, offering solutions to challenges arising from modern imaging technologies. These developments benefit from methods that combine classical reconstruction techniques with data-driven approaches. Differentiable operators play a key role in this integration by enabling end-to-end optimization and the incorporation of physical modeling within neural networks. In this work, we present an updated version of PYRO-NN, a Python-based library for differentiable CT reconstruction. The updated framework extends compatibility to PyTorch and introduces native CUDA kernel support for efficient projection and back-projection operations across parallel, fan, and cone-beam geometries. Additionally, it includes tools for simulating imaging artifacts, modeling arbitrary acquisition trajectories, and creating flexible, end-to-end trainable pipelines through a high-level Python API. Code is available at: https://github.com/csyben/PYRO-NN
Authors: Mehryar Mohri, Jon Schneider, Yifan Wu
Abstract: Self-improvement is a critical capability for large language models and other intelligent systems, enabling them to refine their behavior and internal consistency without external supervision. Despite its importance, prior approaches largely rely on empirical heuristics and lack formal guarantees. In this paper, we propose a principled framework for self-improvement based on the concept of \emph{coherence}, which requires that a model's outputs remain consistent under task-preserving transformations of the input. We formalize this concept using projection-based mechanisms that update a baseline model to be coherent while remaining as close as possible to its original behavior. We provide rigorous theoretical guarantees that these mechanisms achieve \emph{monotonic improvement}, measured by a reduction in expected Bregman divergence. Our analysis is comprehensive, covering both \emph{direct} and \emph{two-step} projection methods, and robustly extends these guarantees to non-realizable settings, empirical (finite-sample) distributions, and relaxed coherence constraints. Furthermore, we establish a general \emph{characterization theorem}, showing that any mechanism with similar provable improvement guarantees must inherently conform to a coherence-based structure. This culminates in rigidity results under the demand for universal improvement, establishing coherence as a fundamental and, in a formal sense, necessary principle for provable self-improvement.
Authors: Xiang Li, You Li, Yazhou Zhang
Abstract: EEG-based emotion recognition is hampered by profound dataset heterogeneity (channel/subject variability), hindering generalizable models. Existing approaches struggle to transfer knowledge effectively. We propose 'One Model for All', a universal pre-training framework for EEG analysis across disparate datasets. Our paradigm decouples learning into two stages: (1) Univariate pre-training via self-supervised contrastive learning on individual channels, enabled by a Unified Channel Schema (UCS) that leverages the channel union (e.g., SEED-62ch, DEAP-32ch); (2) Multivariate fine-tuning with a novel 'ART' (Adaptive Resampling Transformer) and 'GAT' (Graph Attention Network) architecture to capture complex spatio-temporal dependencies. Experiments show universal pre-training is an essential stabilizer, preventing collapse on SEED (vs. scratch) and yielding substantial gains on DEAP (+7.65%) and DREAMER (+3.55%). Our framework achieves new SOTA performance on all within-subject benchmarks: SEED (99.27%), DEAP (93.69%), and DREAMER (93.93%). We also show SOTA cross-dataset transfer, achieving 94.08% (intersection) and 93.05% (UCS) on the unseen DREAMER dataset, with the former surpassing the within-domain pre-training benchmark. Ablation studies validate our architecture: the GAT module is critical, yielding a +22.19% gain over GCN on the high-noise DEAP dataset, and its removal causes a catastrophic -16.44% performance drop. This work paves the way for more universal, scalable, and effective pre-trained models for diverse EEG analysis tasks.
Authors: Peng Yu, Yike Chen, Chao Xu, Albert Bifet, Jesse Read
Abstract: In the context of the Classification and Regression Trees (CART) algorithm, the efficient splitting of categorical features using standard criteria like GINI and Entropy is well-established. However, using the Mean Absolute Error (MAE) criterion for categorical features has traditionally relied on various numerical encoding methods. This paper demonstrates that unsupervised numerical encoding methods are not viable for the MAE criteria. Furthermore, we present a novel and efficient splitting algorithm that addresses the challenges of handling categorical features with the MAE criterion. Our findings underscore the limitations of existing approaches and offer a promising solution to enhance the handling of categorical data in CART algorithms.
Authors: Ali Sonmez, Erencem Ozbey, Efe Feyzi Mantaroglu, H. Birkan Yilmaz
Abstract: Transmitter localization in Molecular Communication via Diffusion is a critical topic with many applications. However, accurate localization of multiple transmitters is a challenging problem due to the stochastic nature of diffusion and overlapping molecule distributions at the receiver surface. To address these issues, we introduce clustering-based centroid correction methods that enhance robustness against density variations, and outliers. In addition, we propose two clusteringguided Residual Neural Networks, namely AngleNN for direction refinement and SizeNN for cluster size estimation. Experimental results show that both approaches provide significant improvements with reducing localization error between 69% (2-Tx) and 43% (4-Tx) compared to the K-means.
Authors: Randall Balestriero, Yann LeCun
Abstract: Learning manipulable representations of the world and its dynamics is central to AI. Joint-Embedding Predictive Architectures (JEPAs) offer a promising blueprint, but lack of practical guidance and theory has led to ad-hoc R&D. We present a comprehensive theory of JEPAs and instantiate it in {\bf LeJEPA}, a lean, scalable, and theoretically grounded training objective. First, we identify the isotropic Gaussian as the optimal distribution that JEPAs' embeddings should follow to minimize downstream prediction risk. Second, we introduce a novel objective--{\bf Sketched Isotropic Gaussian Regularization} (SIGReg)--to constrain embeddings to reach that ideal distribution. Combining the JEPA predictive loss with SIGReg yields LeJEPA with numerous theoretical and practical benefits: (i) single trade-off hyperparameter, (ii) linear time and memory complexity, (iii) stability across hyper-parameters, architectures (ResNets, ViTs, ConvNets) and domains, (iv) heuristics-free, e.g., no stop-gradient, no teacher-student, no hyper-parameter schedulers, and (v) distributed training-friendly implementation requiring only $\approx$50 lines of code. Our empirical validation covers 10+ datasets, 60+ architectures, all with varying scales and domains. As an example, using imagenet-1k for pretraining and linear evaluation with frozen backbone, LeJEPA reaches 79\% with a ViT-H/14. We hope that the simplicity and theory-friendly ecosystem offered by LeJEPA will reestablish self-supervised pre-training as a core pillar of AI research (\href{git@github.com:rbalestr-lab/lejepa.git}{GitHub repo}).
Authors: Ivan Butakov, Alexander Semenenko, Alexey Frolov, Ivan Oseledets
Abstract: We introduce a novel Mutual Information (MI) estimator that fundamentally reframes the discriminative approach. Instead of training a classifier to discriminate between joint and marginal distributions, we learn a normalizing flow that transforms one into the other. This technique produces a computationally efficient and precise MI estimate that scales well to high dimensions and across a wide range of ground-truth MI values.
Authors: Hanqing Zhu, Zhenyu Zhang, Hanxian Huang, DiJia Su, Zechun Liu, Jiawei Zhao, Igor Fedorov, Hamed Pirsiavash, Zhizhou Sha, Jinwon Lee, David Z. Pan, Zhangyang Wang, Yuandong Tian, Kai Sheng Tai
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) reliably improves the reasoning performance of large language models, yet it appears to modify only a small fraction of parameters. We revisit this paradox and show that sparsity is a surface artifact of a model-conditioned optimization bias: for a fixed pretrained model, updates consistently localize to preferred parameter regions, highly consistent across runs and largely invariant to datasets and RL recipes. We mechanistically explain these dynamics with a Three-Gate Theory: Gate I (KL Anchor) imposes a KL-constrained update; Gate II (Model Geometry) steers the step off principal directions into low-curvature, spectrum-preserving subspaces; and Gate III (Precision) hides micro-updates in non-preferred regions, making the off-principal bias appear as sparsity. We then validate this theory and, for the first time, provide a parameter-level characterization of RLVR's learning dynamics: RLVR learns off principal directions in weight space, achieving gains via minimal spectral drift, reduced principal-subspace rotation, and off-principal update alignment. In contrast, SFT targets principal weights, distorts the spectrum, and even lags RLVR. Together, these results provide the first parameter-space account of RLVR's training dynamics, revealing clear regularities in how parameters evolve. Crucially, we show that RL operates in a distinct optimization regime from SFT, so directly adapting SFT-era parameter-efficient fine-tuning (PEFT) methods can be flawed, as evidenced by our case studies on advanced sparse fine-tuning and LoRA variants. We hope this work charts a path toward a white-box understanding of RLVR and the design of geometry-aware, RLVR-native learning algorithms, rather than repurposed SFT-era heuristics.
Authors: Jamison Moody, James Usevitch
Abstract: Kolmogorov-Arnold Networks (KANs) are a class of neural networks that have received increased attention in recent literature. In contrast to MLPs, KANs leverage parameterized, trainable activation functions and offer several benefits including improved interpretability and higher accuracy on learning symbolic equations. However, the original KAN architecture requires adjustments to the domain discretization of the network (called the "domain grid") during training, creating extra overhead for the user in the training process. Typical KAN layers are not designed with the ability to autonomously update their domains in a data-driven manner informed by the changing output ranges of previous layers. As an added benefit, this histogram algorithm may also be applied towards detecting out-of-distribution (OOD) inputs in a variety of settings. We demonstrate that AdaptKAN exceeds or matches the performance of prior KAN architectures and MLPs on four different tasks: learning scientific equations from the Feynman dataset, image classification from frozen features, learning a control Lyapunov function, and detecting OOD inputs on the OpenOOD v1.5 benchmark.
Authors: Genglin Wang, Liekang Zeng, Bufang Yang, Kaiwei Liu, Guoliang Xing, Chumin Sun, Li Zhou, Jie Sun, Zhenyu Yan
Abstract: Large Language Models (LLMs) are becoming key components in various mobile operating systems, driving smart applications like interactive chatbots and personal assistants. While bringing enhanced intelligence to mobile ends, their deployment suffers from a set of performance challenges, especially the generation quality degradation and prolonged latency. Prior works have mainly relied on solutions of cloud offloading or on-device Small Language Models (SLMs). However, the former is usually limited by the communication bottleneck, and the latter sacrifices generation quality due to resource constraints. To mitigate these limitations, this paper proposes Synera, a device-cloud synergistic LLM serving system that applies an efficient SLM-LLM synergistic mechanism. Through empirical studies on LLM's unique computing characteristics, Synera identifies a set of underexplored optimization opportunities in device-cloud synergistic LLM inference, including offloading decisions, pipeline stalls, and batching bottlenecks. To translate them into enhanced performance, Synera introduces tailored designs of communication-efficient selective offloading, stall-free parallel inference, and scalable cloud batching. Extensive evaluations with real-world testbeds show that Synera enables 1.20-5.47x better generation quality against competitive baselines with on-par latency performance. Compared with existing cloud serving, Synera achieves 8.2-16.5% lower cloud serving cost on various benchmarks.
Authors: Aymen Hamrouni, Sofie Pollin, Hazem Sallouha
Abstract: This paper addresses the problem of dual-technology scheduling in hybrid Internet of Things (IoT) networks that integrate Optical Wireless Communication (OWC) alongside Radio Frequency (RF). We begin by formulating a Mixed-Integer Nonlinear Programming (MINLP) model that jointly considers throughput maximization and delay minimization between access points and IoT nodes under energy and link availability constraints. However, given the intractability of solving such NP-hard problems at scale and the impractical assumption of full channel observability, we propose the Dual-Graph Embedding with Transformer (DGET) framework, a supervised multi-task learning architecture combining a two-stage Graph Neural Networks (GNNs) with a Transformer-based encoder. The first stage employs a transductive GNN that encodes the known graph topology and initial node and link states. The second stage introduces an inductive GNN for temporal refinement, which learns to generalize these embeddings to the evolved states of the same network, capturing changes in energy and queue dynamics over time, by aligning them with ground-truth scheduling decisions through a consistency loss. These enriched embeddings are then processed by a classifier for the communication links with a Transformer encoder that captures cross-link dependencies through multi-head self-attention via classification loss. Simulation results show that hybrid RF-OWC networks outperform standalone RF systems by handling higher traffic loads more efficiently and reducing the Age of Information (AoI) by up to 20%, all while maintaining comparable energy consumption. The proposed DGET framework, compared to traditional optimization-based methods, achieves near-optimal scheduling with over 90% classification accuracy, reduces computational complexity, and demonstrates higher robustness under partial channel observability.
Authors: Enzo Duflot, Stanislas Robineau
Abstract: We study opportunistic optimal liquidation over fixed deadlines on BTC-USD limit-order books (LOB). We present RL-Exec, a PPO agent trained on historical replays augmented with endogenous transient impact (resilience), partial fills, maker/taker fees, and latency. The policy observes depth-20 LOB features plus microstructure indicators and acts under a sell-only inventory constraint to reach a residual target. Evaluation follows a strict time split (train: Jan-2020; test: Feb-2020) and a per-day protocol: for each test day we run ten independent start times and aggregate to a single daily score, avoiding pseudo-replication. We compare the agent to (i) TWAP and (ii) a VWAP-like baseline allocating using opposite-side order-book liquidity (top-20 levels), both executed on identical timestamps and costs. Statistical inference uses one-sided Wilcoxon signed-rank tests on daily RL-baseline differences with Benjamini-Hochberg FDR correction and bootstrap confidence intervals. On the Feb-2020 test set, RL-Exec significantly outperforms both baselines and the gap increases with the execution horizon (+2-3 bps at 30 min, +7-8 bps at 60 min, +23 bps at 120 min). Code: github.com/Giafferri/RL-Exec
Authors: Priyanka Mudgal
Abstract: Evaluating log summarization systems is challenging due to the lack of high-quality reference summaries and the limitations of existing metrics like ROUGE and BLEU, which depend on surface-level lexical overlap. We introduce REFLEX, a reference-free evaluation metric for log summarization based on large language model (LLM) judgment. REFLEX uses LLMs as zero-shot evaluators to assess summary quality along dimensions such as relevance, informativeness, and coherence, without requiring gold-standard references or human annotations. We show that REFLEX produces stable, interpretable, and fine-grained evaluations across multiple log summarization dataset, and more effectively distinguishes model outputs than traditional metrics. REFLEX provides a scalable alternative for evaluating log summaries in real-world settings where reference data is scarce or unavailable.
Authors: Protik Bose Pranto, Minhazul Islam, Ripon Kumar Saha, Abimelec Mercado Rivera, Namig Abbasov
Abstract: Cultural infrastructures, such as libraries, museums, theaters, and galleries, support learning, civic life, health, and local economies, yet access is uneven across cities. We present a novel, scalable, and open-data framework to measure spatial equity in cultural access. We map cultural infrastructures and compute a metric called Cultural Infrastructure Accessibility Score (CIAS) using exponential distance decay at fine spatial resolution, then aggregate the score per capita and integrate socio-demographic indicators. Interpretable tree-ensemble models with SHapley Additive exPlanation (SHAP) are used to explain associations between accessibility, income, density, and tract-level racial/ethnic composition. Results show a pronounced core-periphery gradient, where non-library cultural infrastructures cluster near urban cores, while libraries track density and provide broader coverage. Non-library accessibility is modestly higher in higher-income tracts, and library accessibility is slightly higher in denser, lower-income areas.
Authors: Qianxi He, Qingyu Ren, Shanzhe Lei, Xuhong Wang, Yingchun Wang
Abstract: Recent advancements in large language models (LLMs) have shifted the post-training paradigm from traditional instruction tuning and human preference alignment toward reinforcement learning (RL) focused on reasoning capabilities. However, numerous technical reports indicate that purely rule-based reward RL frequently results in poor-quality reasoning chains or inconsistencies between reasoning processes and final answers, particularly when the base model is of smaller scale. During the RL exploration process, models might employ low-quality reasoning chains due to the lack of knowledge, occasionally producing correct answers randomly and receiving rewards based on established rule-based judges. This constrains the potential for resource-limited organizations to conduct direct reinforcement learning training on smaller-scale models. We propose a novel confidence-based reward model tailored for enhancing STEM reasoning capabilities. Unlike conventional approaches, our model penalizes not only incorrect answers but also low-confidence correct responses, thereby promoting more robust and logically consistent reasoning. We validate the effectiveness of our approach through static evaluations, Best-of-N inference tests, and PPO-based RL training. Our method outperforms several state-of-the-art open-source reward models across diverse STEM benchmarks. We release our codes and model in https://github.com/qianxiHe147/C2RM.
Authors: Barath Chandran. C, Srinivas Anumasa, Dianbo Liu
Abstract: Diffusion models, though successful, are known to suffer from hallucinations that create incoherent or unrealistic samples. Recent works have attributed this to the phenomenon of mode interpolation and score smoothening, but they lack a method to prevent their generation during sampling. In this paper, we propose a post-hoc adjustment to the score function during inference that leverages the Laplacian (or sharpness) of the score to reduce mode interpolation hallucination in unconditional diffusion models across 1D, 2D, and high-dimensional image data. We derive an efficient Laplacian approximation for higher dimensions using a finite-difference variant of the Hutchinson trace estimator. We show that this correction significantly reduces the rate of hallucinated samples across toy 1D/2D distributions and a high- dimensional image dataset. Furthermore, our analysis explores the relationship between the Laplacian and uncertainty in the score.
Authors: Raymond Zhang, H\'edi Hadiji, Richard Combes
Abstract: We consider the maximization of $x^\top \theta$ over $(x,\theta) \in \mathcal{X} \times \Theta$, with $\mathcal{X} \subset \mathbb{R}^d$ convex and $\Theta \subset \mathbb{R}^d$ an ellipsoid. This problem is fundamental in linear bandits, as the learner must solve it at every time step using optimistic algorithms. We first show that for some sets $\mathcal{X}$ e.g. $\ell_p$ balls with $p>2$, no efficient algorithms exist unless $\mathcal{P} = \mathcal{NP}$. We then provide two novel algorithms solving this problem efficiently when $\mathcal{X}$ is a centered ellipsoid. Our findings provide the first known method to implement optimistic algorithms for linear bandits in high dimensions.
Authors: Saya Hashemian, Azam Asilian Bidgoli
Abstract: In computational pathology, the gigapixel scale of Whole-Slide Images (WSIs) necessitates their division into thousands of smaller patches. Analyzing these high-dimensional patch embeddings is computationally expensive and risks diluting key diagnostic signals with many uninformative patches. Existing patch selection methods often rely on random sampling or simple clustering heuristics and typically fail to explicitly manage the crucial trade-off between the number of selected patches and the accuracy of the resulting slide representation. To address this gap, we propose EvoPS (Evolutionary Patch Selection), a novel framework that formulates patch selection as a multi-objective optimization problem and leverages an evolutionary search to simultaneously minimize the number of selected patch embeddings and maximize the performance of a downstream similarity search task, generating a Pareto front of optimal trade-off solutions. We validated our framework across four major cancer cohorts from The Cancer Genome Atlas (TCGA) using five pretrained deep learning models to generate patch embeddings, including both supervised CNNs and large self-supervised foundation models. The results demonstrate that EvoPS can reduce the required number of training patch embeddings by over 90% while consistently maintaining or even improving the final classification F1-score compared to a baseline that uses all available patches' embeddings selected through a standard extraction pipeline. The EvoPS framework provides a robust and principled method for creating efficient, accurate, and interpretable WSI representations, empowering users to select an optimal balance between computational cost and diagnostic performance.
Authors: Trishit Mondal, Ricardo Vinuesa, Ameya D. Jagtap
Abstract: Active flow control of compressible transonic shock-boundary layer interactions over a two-dimensional RAE2822 airfoil at Re = 50,000 is investigated using deep reinforcement learning (DRL). The flow field exhibits highly unsteady dynamics, including complex shock-boundary layer interactions, shock oscillations, and the generation of Kutta waves from the trailing edge. A high-fidelity CFD solver, employing a fifth-order spectral discontinuous Galerkin scheme in space and a strong-stability-preserving Runge-Kutta (5,4) method in time, together with adaptive mesh refinement capability, is used to obtain the accurate flow field. Synthetic jet actuation is employed to manipulate these unsteady flow features, while the DRL agent autonomously discovers effective control strategies through direct interaction with high-fidelity compressible flow simulations. The trained controllers effectively mitigate shock-induced separation, suppress unsteady oscillations, and manipulate aerodynamic forces under transonic conditions. In the first set of experiments, aimed at both drag reduction and lift enhancement, the DRL-based control reduces the average drag coefficient by 13.78% and increases lift by 131.18%, thereby improving the lift-to-drag ratio by 121.52%, which underscores its potential for managing complex flow dynamics. In the second set, targeting drag reduction while maintaining lift, the DRL-based control achieves a 25.62% reduction in drag and a substantial 196.30% increase in lift, accompanied by markedly diminished oscillations. In this case, the lift-to-drag ratio improves by 220.26%.
Authors: Halyun Jeong, Palle E. T. Jorgensen, Hyun-Kyoung Kwon, Myung-Sin Song
Abstract: We present a variety of projection-based linear regression algorithms with a focus on modern machine-learning models and their algorithmic performance. We study the role of the relaxation parameter in generalized Kaczmarz algorithms and establish a priori regret bounds with explicit $\lambda$-dependence to quantify how much an algorithm's performance deviates from its optimal performance. A detailed analysis of relaxation parameter is also provided. Applications include: explicit regret bounds for the framework of Kaczmarz algorithm models, non-orthogonal Fourier expansions, and the use of regret estimates in modern machine learning models, including for noisy data, i.e., regret bounds for the noisy Kaczmarz algorithms. Motivated by machine-learning practice, our wider framework treats bounded operators (on infinite-dimensional Hilbert spaces), with updates realized as (block) Kaczmarz algorithms, leading to new and versatile results.
Authors: Paritosh Aggarwal, Bowei Chen, Anupam Datta, Benjamin Han, Boxin Jiang, Nitish Jindal, Zihan Li, Aaron Lin, Pawel Liskowski, Jay Tayade, Dimitris Tsirogiannis, Nathan Wiegand, Weicheng Zhao
Abstract: Snowflake's Cortex AISQL is a production SQL engine that integrates native semantic operations directly into SQL. This integration allows users to write declarative queries that combine relational operations with semantic reasoning, enabling them to query both structured and unstructured data effortlessly. However, making semantic operations efficient at production scale poses fundamental challenges. Semantic operations are more expensive than traditional SQL operations, possess distinct latency and throughput characteristics, and their cost and selectivity are unknown during query compilation. Furthermore, existing query engines are not designed to optimize semantic operations. The AISQL query execution engine addresses these challenges through three novel techniques informed by production deployment data from Snowflake customers. First, AI-aware query optimization treats AI inference cost as a first-class optimization objective, reasoning about large language model (LLM) cost directly during query planning to achieve 2-8$\times$ speedups. Second, adaptive model cascades reduce inference costs by routing most rows through a fast proxy model while escalating uncertain cases to a powerful oracle model, achieving 2-6$\times$ speedups while maintaining 90-95% of oracle model quality. Third, semantic join query rewriting lowers the quadratic time complexity of join operations to linear through reformulation as multi-label classification tasks, achieving 15-70$\times$ speedups with often improved prediction quality. AISQL is deployed in production at Snowflake, where it powers diverse customer workloads across analytics, search, and content understanding.
Authors: Yasir Zubayr Barlas, Sabina J. Sloman, Samuel Kaski
Abstract: Bayesian optimal experimental design is a principled framework for conducting experiments that leverages Bayesian inference to quantify how much information one can expect to gain from selecting a certain design. However, accurate Bayesian inference relies on the assumption that one's statistical model of the data-generating process is correctly specified. If this assumption is violated, Bayesian methods can lead to poor inference and estimates of information gain. Generalised Bayesian (or Gibbs) inference is a more robust probabilistic inference framework that replaces the likelihood in the Bayesian update by a suitable loss function. In this work, we present Generalised Bayesian Optimal Experimental Design (GBOED), an extension of Gibbs inference to the experimental design setting which achieves robustness in both design and inference. Using an extended information-theoretic framework, we derive a new acquisition function, the Gibbs expected information gain (Gibbs EIG). Our empirical results demonstrate that GBOED enhances robustness to outliers and incorrect assumptions about the outcome noise distribution.
Authors: Manasi Sharma, Chen Bo Calvin Zhang, Chaithanya Bandi, Clinton Wang, Ankit Aich, Huy Nghiem, Tahseen Rabbani, Ye Htet, Brian Jang, Sumana Basu, Aishwarya Balwani, Denis Peskoff, Marcos Ayestaran, Sean M. Hendryx, Brad Kenstler, Bing Liu
Abstract: Deep Research (DR) is an emerging agent application that leverages large language models (LLMs) to address open-ended queries. It requires the integration of several capabilities, including multi-step reasoning, cross-document synthesis, and the generation of evidence-backed, long-form answers. Evaluating DR remains challenging because responses are lengthy and diverse, admit many valid solutions, and often depend on dynamic information sources. We introduce ResearchRubrics, a standardized benchmark for DR built with over 2,800+ hours of human labor that pairs realistic, domain-diverse prompts with 2,500+ expert-written, fine-grained rubrics to assess factual grounding, reasoning soundness, and clarity. We also propose a new complexity framework for categorizing DR tasks along three axes: conceptual breadth, logical nesting, and exploration. In addition, we develop human and model-based evaluation protocols that measure rubric adherence for DR agents. We evaluate several state-of-the-art DR systems and find that even leading agents like Gemini's DR and OpenAI's DR achieve under 68% average compliance with our rubrics, primarily due to missed implicit context and inadequate reasoning about retrieved information. Our results highlight the need for robust, scalable assessment of deep research capabilities, to which end we release ResearchRubrics(including all prompts, rubrics, and evaluation code) to facilitate progress toward well-justified research assistants.
Authors: Benjamin C. Koenig, Sili Deng
Abstract: Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard CRNNs cannot represent pressure-dependent rate behavior, which is critical in many combustion and chemical systems and typically requires empirical formulations such as Troe or PLOG. Here, we develop Kolmogorov-Arnold Chemical Reaction Neural Networks (KA-CRNNs) that generalize CRNNs by modeling each kinetic parameter as a learnable function of system pressure using Kolmogorov-Arnold activations. This structure maintains full interpretability and physical consistency while enabling assumption-free inference of pressure effects directly from data. A proof-of-concept study on the CH3 recombination reaction demonstrates that KA-CRNNs accurately reproduce pressure-dependent kinetics across a range of temperatures and pressures, outperforming conventional interpolative models. The framework establishes a foundation for data-driven discovery of extended kinetic behaviors in complex reacting systems, advancing interpretable and physics-consistent approaches for chemical model inference.
Authors: Zain Muhammad Mujahid, Dustin Wright, Isabelle Augenstein
Abstract: Evaluating the factual consistency of abstractive text summarization remains a significant challenge, particularly for long documents, where conventional metrics struggle with input length limitations and long-range dependencies. In this work, we systematically evaluate the reliability of six widely used reference-free factuality metrics, originally proposed for short-form summarization, in the long-document setting. We probe metric robustness through seven factuality-preserving perturbations applied to summaries, namely paraphrasing, simplification, synonym replacement, logically equivalent negations, vocabulary reduction, compression, and source text insertion, and further analyze their sensitivity to retrieval context and claim information density. Across three long-form benchmark datasets spanning science fiction, legal, and scientific domains, our results reveal that existing short-form metrics produce inconsistent scores for semantically equivalent summaries and exhibit declining reliability for information-dense claims whose content is semantically similar to many parts of the source document. While expanding the retrieval context improves stability in some domains, no metric consistently maintains factual alignment under long-context conditions. Finally, our results highlight concrete directions for improving factuality evaluation, including multi-span reasoning, context-aware calibration, and training on meaning-preserving variations to enhance robustness in long-form summarization. We release all code, perturbed data, and scripts required to reproduce our results at https://github.com/zainmujahid/metricEval-longSum.
Authors: David Autor, Andrew Caplin, Daniel Martin, Philip Marx
Abstract: The cost of error in many high-stakes settings is asymmetric: misdiagnosing pneumonia when absent is an inconvenience, but failing to detect it when present can be life-threatening. Because of this, artificial intelligence (AI) models used to assist such decisions are frequently trained with asymmetric loss functions that incorporate human decision-makers' trade-offs between false positives and false negatives. In two focal applications, we show that this standard alignment practice can backfire. In both cases, it would be better to train the machine learning model with a loss function that ignores the human's objective and then adjust predictions ex post according to that objective. We rationalize this result using an economic model of incentive design with endogenous information acquisition. The key insight from our theoretical framework is that machine classifiers perform not one but two incentivized tasks: choosing how to classify and learning how to classify. We show that while the adjustments engineers use correctly incentivize choosing, they can simultaneously reduce the incentives to learn. Our formal treatment of the problem reveals that methods embraced for their intuitive appeal can in fact misalign human and machine objectives in predictable ways.
Authors: Sandeep Routray, Hengkai Pan, Unnat Jain, Shikhar Bahl, Deepak Pathak
Abstract: Can we turn a video prediction model into a robot policy? Videos, including those of humans or teleoperated robots, capture rich physical interactions. However, most of them lack labeled actions, which limits their use in robot learning. We present Video Prediction for Robot Actions (ViPRA), a simple pretraining-finetuning framework that learns continuous robot control from these actionless videos. Instead of directly predicting actions, we train a video-language model to predict both future visual observations and motion-centric latent actions, which serve as intermediate representations of scene dynamics. We train these latent actions using perceptual losses and optical flow consistency to ensure they reflect physically grounded behavior. For downstream control, we introduce a chunked flow matching decoder that maps latent actions to robot-specific continuous action sequences, using only 100 to 200 teleoperated demonstrations. This approach avoids expensive action annotation, supports generalization across embodiments, and enables smooth, high-frequency continuous control upto 22 Hz via chunked action decoding. Unlike prior latent action works that treat pretraining as autoregressive policy learning, explicitly models both what changes and how. Our method outperforms strong baselines, with a 16% gain on the SIMPLER benchmark and a 13% improvement across real world manipulation tasks. We will release models and code at https://vipra-project.github.io
Authors: Steve Dai, Cunxi Yu, Kalyan Krishnamani, Brucek Khailany
Abstract: While accelerated computing has transformed many domains of computing, its impact on logical reasoning, specifically Boolean satisfiability (SAT), remains limited. State-of-the-art SAT solvers rely heavily on inherently sequential conflict-driven search algorithms that offer powerful heuristics but limit the amount of parallelism that could otherwise enable significantly more scalable SAT solving. Inspired by neural network training, we formulate the SAT problem as a binarized matrix-matrix multiplication layer that could be optimized using a differentiable objective function. Enabled by this encoding, we combine the strengths of parallel differentiable optimization and sequential search to accelerate SAT on a hybrid GPU-CPU system. In this system, the GPUs leverage parallel differentiable solving to rapidly evaluate SAT clauses and use gradients to stochastically explore the solution space and optimize variable assignments. Promising partial assignments generated by the GPUs are post-processed on many CPU threads which exploit conflict-driven sequential search to further traverse the solution subspaces and identify complete assignments. Prototyping the hybrid solver on an NVIDIA DGX GB200 node, our solver achieves runtime speedups up to over 200x when compared to a state-of-the-art CPU-based solver on public satisfiable benchmark problems from the SAT Competition.
Authors: Shourya Batra, Pierce Tillman, Samarth Gaggar, Shashank Kesineni, Kevin Zhu, Sunishchal Dev, Ashwinee Panda, Vasu Sharma, Maheep Chaudhary
Abstract: As Large Language Models (LLMs) evolve into personal assistants with access to sensitive user data, they face a critical privacy challenge: while prior work has addressed output-level privacy, recent findings reveal that LLMs often leak private information through their internal reasoning processes, violating contextual privacy expectations. These leaky thoughts occur when models inadvertently expose sensitive details in their reasoning traces, even when final outputs appear safe. The challenge lies in preventing such leakage without compromising the model's reasoning capabilities, requiring a delicate balance between privacy and utility. We introduce Steering Activations towards Leakage-free Thinking (SALT), a lightweight test-time intervention that mitigates privacy leakage in model's Chain of Thought (CoT) by injecting targeted steering vectors into hidden state. We identify the high-leakage layers responsible for this behavior. Through experiments across multiple LLMs, we demonstrate that SALT achieves reductions including $18.2\%$ reduction in CPL on QwQ-32B, $17.9\%$ reduction in CPL on Llama-3.1-8B, and $31.2\%$ reduction in CPL on Deepseek in contextual privacy leakage dataset AirGapAgent-R while maintaining comparable task performance and utility. Our work establishes SALT as a practical approach for test-time privacy protection in reasoning-capable language models, offering a path toward safer deployment of LLM-based personal agents.
Authors: Gina Sohn, Genghan Zhang, Konstantin Hossfeld, Jungwoo Kim, Nathan Sobotka, Nathan Zhang, Olivia Hsu, Kunle Olukotun
Abstract: Dynamic behaviors are becoming prevalent in many tensor applications. In machine learning, for example, the input tensors are dynamically shaped or ragged, and data-dependent control flow is widely used in many models. However, the limited expressiveness of prior programming abstractions for spatial dataflow accelerators forces the dynamic behaviors to be implemented statically or lacks the visibility for performance-critical decisions. To address these challenges, we present the Streaming Tensor Program (STeP), a new streaming abstraction that enables dynamic tensor workloads to run efficiently on spatial dataflow accelerators. STeP introduces flexible routing operators, an explicit memory hierarchy, and symbolic shape semantics that expose dynamic data rates and tensor dimensions. These capabilities unlock new optimizations-dynamic tiling, dynamic parallelization, and configuration time-multiplexing-that adapt to dynamic behaviors while preserving dataflow efficiency. Using a cycle-approximate simulator on representative LLM layers with real-world traces, dynamic tiling reduces on-chip memory requirement by 2.18x, dynamic parallelization improves latency by 1.5x, and configuration time-multiplexing improves compute utilization by 2.57x over implementations available in prior abstractions.
Authors: Binayak Kara, Ujjwal Sahua, Ciza Thomas, Jyoti Prakash Sahoo
Abstract: Securing Dew-Enabled Edge-of-Things (EoT) networks against sophisticated intrusions is a critical challenge. This paper presents HybridGuard, a framework that integrates machine learning and deep learning to improve intrusion detection. HybridGuard addresses data imbalance through mutual information based feature selection, ensuring that the most relevant features are used to improve detection performance, especially for minority attack classes. The framework leverages Wasserstein Conditional Generative Adversarial Networks with Gradient Penalty (WCGAN-GP) to further reduce class imbalance and enhance detection precision. It adopts a two-phase architecture called DualNetShield to support advanced traffic analysis and anomaly detection, improving the granular identification of threats in complex EoT environments. HybridGuard is evaluated on the UNSW-NB15, CIC-IDS-2017, and IOTID20 datasets, where it demonstrates strong performance across diverse attack scenarios and outperforms existing solutions in adapting to evolving cybersecurity threats. This approach establishes HybridGuard as an effective tool for protecting EoT networks against modern intrusions.
Authors: Zeinab Elkhatib, Ali Sekmen, Kamrul Hasan
Abstract: With the rapid advancements in machine learning, models have become increasingly capable of learning and making predictions in various industries. However, deploying these models in critical infrastructures presents a major challenge, as concerns about data privacy prevent unrestricted data sharing. Homomor- phic encryption (HE) offers a solution by enabling computations on encrypted data, but it remains incompatible with machine learning models like convolutional neural networks (CNNs), due to their reliance on non-linear activation functions. To bridge this gap, this work proposes an optimized framework that replaces standard non-linear functions with homomorphically compatible approximations, ensuring secure computations while minimizing computational overhead. The proposed approach restructures the CNN architecture and introduces an efficient activation function approximation method to mitigate the performance trade-offs in- troduced by encryption. Experiments on CIFAR-10 achieve 94.4% accuracy with 2.42 s per single encrypted sample and 24,000 s per 10,000 encrypted samples, using a degree-4 polynomial and Softplus activation under CKKS, balancing accuracy and privacy.
Authors: Zewu Zheng, Yuanyuan Lin
Abstract: The sim-to-real gap, where agents trained in a simulator face significant performance degradation during testing, is a fundamental challenge in reinforcement learning. Extansive works adopt the framework of distributionally robust RL, to learn a policy that acts robustly under worst case environment shift. Within this framework, our objective is to devise algorithms that are sample efficient with interactive data collection and large state spaces. By assuming d-rectangularity of environment dynamic shift, we identify a fundamental hardness result for learning in online Markov game, and address it by adopting minimum value assumption. Then, a novel least square value iteration type algorithm, DR-CCE-LSI, with exploration bonus devised specifically for multiple agents, is proposed to find an \episilon-approximate robust Coarse Correlated Equilibrium(CCE). To obtain sample efficient learning, we find that: when the feature mapping function satisfies certain properties, our algorithm, DR-CCE-LSI, is able to achieve \epsilon-approximate CCE with a regret bound of O{dHmin{H,1/min{\sigma_i}}\sqrt{K}}, where K is the number of interacting episodes, H is the horizon length, d is the feature dimension, and \simga_i represents the uncertainty level of player i. Our work introduces the first sample-efficient algorithm for this setting, matches the best result so far in single agent setting, and achieves minimax optimalsample complexity in terms of the feature dimension d. Meanwhile, we also conduct simulation study to validate the efficacy of our algorithm in learning a robust equilibrium.
Authors: Julian Soltes
Abstract: The curse of dimensionality presents a pervasive challenge in optimization problems, with exponential expansion of the search space rapidly causing traditional algorithms to become inefficient or infeasible. An adaptive sampling strategy is presented to accelerate optimization in this domain as an alternative to uniform quasi-Monte Carlo (QMC) methods. This method, referred to as Hyperellipsoid Density Sampling (HDS), generates its sequences by defining multiple hyperellipsoids throughout the search space. HDS uses three types of unsupervised learning algorithms to circumvent high-dimensional geometric calculations, producing an intelligent, non-uniform sample sequence that exploits statistically promising regions of the parameter space and improves final solution quality in high-dimensional optimization problems. A key feature of the method is optional Gaussian weights, which may be provided to influence the sample distribution towards known locations of interest. This capability makes HDS versatile for applications beyond optimization, providing a focused, denser sample distribution where models need to concentrate their efforts on specific, non-uniform regions of the parameter space. The method was evaluated against Sobol, a standard QMC method, using differential evolution (DE) on the 29 CEC2017 benchmark test functions. The results show statistically significant improvements in solution geometric mean error (p < 0.05), with average performance gains ranging from 3% in 30D to 37% in 10D. This paper demonstrates the efficacy of HDS as a robust alternative to QMC sampling for high-dimensional optimization.
Authors: Nima Anari, Carlo Baronio, CJ Chen, Alireza Haqi, Frederic Koehler, Anqi Li, Thuy-Duong Vuong
Abstract: We present parallel algorithms to accelerate sampling via counting in two settings: any-order autoregressive models and denoising diffusion models. An any-order autoregressive model accesses a target distribution $\mu$ on $[q]^n$ through an oracle that provides conditional marginals, while a denoising diffusion model accesses a target distribution $\mu$ on $\mathbb{R}^n$ through an oracle that provides conditional means under Gaussian noise. Standard sequential sampling algorithms require $\widetilde{O}(n)$ time to produce a sample from $\mu$ in either setting. We show that, by issuing oracle calls in parallel, the expected sampling time can be reduced to $\widetilde{O}(n^{1/2})$. This improves the previous $\widetilde{O}(n^{2/3})$ bound for any-order autoregressive models and yields the first parallel speedup for diffusion models in the high-accuracy regime, under the relatively mild assumption that the support of $\mu$ is bounded. We introduce a novel technique to obtain our results: speculative rejection sampling. This technique leverages an auxiliary ``speculative'' distribution~$\nu$ that approximates~$\mu$ to accelerate sampling. Our technique is inspired by the well-studied ``speculative decoding'' techniques popular in large language models, but differs in key ways. Firstly, we use ``autospeculation,'' namely we build the speculation $\nu$ out of the same oracle that defines~$\mu$. In contrast, speculative decoding typically requires a separate, faster, but potentially less accurate ``draft'' model $\nu$. Secondly, the key differentiating factor in our technique is that we make and accept speculations at a ``sequence'' level rather than at the level of single (or a few) steps. This last fact is key to unlocking our parallel runtime of $\widetilde{O}(n^{1/2})$.
Authors: Jiaqi Wang, Liutao Yu, Xiongri Shen, Sihang Guo, Chenlin Zhou, Leilei Zhao, Yi Zhong, Zhengyu Ma, Zhiguo Zhang
Abstract: Spiking neural networks (SNNs) offer a promising path toward energy-efficient speech command recognition (SCR) by leveraging their event-driven processing paradigm. However, existing SNN-based SCR methods often struggle to capture rich temporal dependencies and contextual information from speech due to limited temporal modeling and binary spike-based representations. To address these challenges, we first introduce the multi-view spiking temporal-aware self-attention (MSTASA) module, which combines effective spiking temporal-aware attention with a multi-view learning framework to model complementary temporal dependencies in speech commands. Building on MSTASA, we further propose SpikCommander, a fully spike-driven transformer architecture that integrates MSTASA with a spiking contextual refinement channel MLP (SCR-MLP) to jointly enhance temporal context modeling and channel-wise feature integration. We evaluate our method on three benchmark datasets: the Spiking Heidelberg Dataset (SHD), the Spiking Speech Commands (SSC), and the Google Speech Commands V2 (GSC). Extensive experiments demonstrate that SpikCommander consistently outperforms state-of-the-art (SOTA) SNN approaches with fewer parameters under comparable time steps, highlighting its effectiveness and efficiency for robust speech command recognition.
Authors: Jon Saad-Falcon, Avanika Narayan, Hakki Orhun Akengin, J. Wes Griffin, Herumb Shandilya, Adrian Gamarra Lafuente, Medhya Goel, Rebecca Joseph, Shlok Natarajan, Etash Kumar Guha, Shang Zhu, Ben Athiwaratkun, John Hennessy, Azalia Mirhoseini, Christopher R\'e
Abstract: Large language model (LLM) queries are predominantly processed by frontier models in centralized cloud infrastructure. Rapidly growing demand strains this paradigm, and cloud providers struggle to scale infrastructure at pace. Two advances enable us to rethink this paradigm: small LMs (<=20B active parameters) now achieve competitive performance to frontier models on many tasks, and local accelerators (e.g., Apple M4 Max) run these models at interactive latencies. This raises the question: can local inference viably redistribute demand from centralized infrastructure? Answering this requires measuring whether local LMs can accurately answer real-world queries and whether they can do so efficiently enough to be practical on power-constrained devices (i.e., laptops). We propose intelligence per watt (IPW), task accuracy divided by unit of power, as a metric for assessing capability and efficiency of local inference across model-accelerator pairs. We conduct a large-scale empirical study across 20+ state-of-the-art local LMs, 8 accelerators, and a representative subset of LLM traffic: 1M real-world single-turn chat and reasoning queries. For each query, we measure accuracy, energy, latency, and power. Our analysis reveals $3$ findings. First, local LMs can accurately answer 88.7% of single-turn chat and reasoning queries with accuracy varying by domain. Second, from 2023-2025, IPW improved 5.3x and local query coverage rose from 23.2% to 71.3%. Third, local accelerators achieve at least 1.4x lower IPW than cloud accelerators running identical models, revealing significant headroom for optimization. These findings demonstrate that local inference can meaningfully redistribute demand from centralized infrastructure, with IPW serving as the critical metric for tracking this transition. We release our IPW profiling harness for systematic intelligence-per-watt benchmarking.
Authors: Chaeri Kim, Jaeyeon Bae, Taehwan Kim
Abstract: Deep learning models have been successful in many areas but understanding their behaviors still remains a black-box. Most prior explainable AI (XAI) approaches have focused on interpreting and explaining how models make predictions. In contrast, we would like to understand how data can be explained with deep learning model training and propose a novel approach to understand the data via one of the most common media - language - so that humans can easily understand. Our approach proposes a pipeline to generate textual descriptions that can explain the data with large language models by incorporating external knowledge bases. However, generated data descriptions may still include irrelevant information, so we introduce to exploit influence estimation to choose the most informative textual descriptions, along with the CLIP score. Furthermore, based on the phenomenon of cross-modal transferability, we propose a novel benchmark task named cross-modal transfer classification to examine the effectiveness of our textual descriptions. In the experiment of zero-shot setting, we show that our textual descriptions are more effective than other baseline descriptions, and furthermore, we successfully boost the performance of the model trained only on images across all nine image classification datasets. These results are further supported by evaluation using GPT-4o. Through our approach, we may gain insights into the inherent interpretability of the decision-making process of the model.
Authors: Akif Hamid, Orchi Hassan
Abstract: Resistive random access memory (RRAM) is a promising candidate for next-generation nonvolatile memory (NVM) and in-memory computing applications. Compact models are essential for analyzing the circuit and system-level performance of experimental RRAM devices. However, most existing RRAM compact models rely on multiple fitting parameters to reproduce the device I-V characteristics, and in most cases, as the parameters are not directly related to measurable quantities, their extraction requires extensive manual tuning, making the process time-consuming and limiting adaptability across different devices. This work presents an automated framework for extracting the fitting parameters of the widely used Stanford RRAM model directly from the device I-V characteristics. The framework employs a convolutional neural network (CNN) trained on a synthetic dataset to generate initial parameter estimates, which are then refined through three heuristic optimization blocks that minimize errors via adaptive binary search in the parameter space. We evaluated the framework using four key NVM metrics: set voltage, reset voltage, hysteresis loop area, and low resistance state (LRS) slope. Benchmarking against RRAM device characteristics derived from previously reported Stanford model fits, other analytical models, and experimental data shows that the framework achieves low error across diverse device characteristics, offering a fast, reliable, and robust solution for RRAM modeling.
Authors: Yaxin Xiao, Qingqing Ye, Zi Liang, Haoyang Li, RongHua Li, Huadi Zheng, Haibo Hu
Abstract: Machine learning models constitute valuable intellectual property, yet remain vulnerable to model extraction attacks (MEA), where adversaries replicate their functionality through black-box queries. Model watermarking counters MEAs by embedding forensic markers for ownership verification. Current black-box watermarks prioritize MEA survival through representation entanglement, yet inadequately explore resilience against sequential MEAs and removal attacks. Our study reveals that this risk is underestimated because existing removal methods are weakened by entanglement. To address this gap, we propose Watermark Removal attacK (WRK), which circumvents entanglement constraints by exploiting decision boundaries shaped by prevailing sample-level watermark artifacts. WRK effectively reduces watermark success rates by at least 88.79% across existing watermarking benchmarks. For robust protection, we propose Class-Feature Watermarks (CFW), which improve resilience by leveraging class-level artifacts. CFW constructs a synthetic class using out-of-domain samples, eliminating vulnerable decision boundaries between original domain samples and their artifact-modified counterparts (watermark samples). CFW concurrently optimizes both MEA transferability and post-MEA stability. Experiments across multiple domains show that CFW consistently outperforms prior methods in resilience, maintaining a watermark success rate of at least 70.15% in extracted models even under the combined MEA and WRK distortion, while preserving the utility of protected models.
Authors: Ziqian Zhang, Min Huang, Zhongzhe Xiao
Abstract: Speech emotion recognition (SER) has advanced significantly for the sake of deep-learning methods, while textual information further enhances its performance. However, few studies have focused on the physiological information during speech production, which also encompasses speaker traits, including emotional states. To bridge this gap, we conducted a series of experiments to investigate the potential of the phonation excitation information and articulatory kinematics for SER. Due to the scarcity of training data for this purpose, we introduce a portrayed emotional dataset, STEM-E2VA, which includes audio and physiological data such as electroglottography (EGG) and electromagnetic articulography (EMA). EGG and EMA provide information of phonation excitation and articulatory kinematics, respectively. Additionally, we performed emotion recognition using estimated physiological data derived through inversion methods from speech, instead of collected EGG and EMA, to explore the feasibility of applying such physiological information in real-world SER. Experimental results confirm the effectiveness of incorporating physiological information about speech production for SER and demonstrate its potential for practical use in real-world scenarios.
Authors: Ke Jia, Yuheng Ma, Yang Li, Feifei Wang
Abstract: We revisit the problem of generating synthetic data under differential privacy. To address the core limitations of marginal-based methods, we propose the Private Adaptive Generative Adversarial Network with Bayes Network Structure (PrAda-GAN), which integrates the strengths of both GAN-based and marginal-based approaches. Our method adopts a sequential generator architecture to capture complex dependencies among variables, while adaptively regularizing the learned structure to promote sparsity in the underlying Bayes network. Theoretically, we establish diminishing bounds on the parameter distance, variable selection error, and Wasserstein distance. Our analysis shows that leveraging dependency sparsity leads to significant improvements in convergence rates. Empirically, experiments on both synthetic and real-world datasets demonstrate that PrAda-GAN outperforms existing tabular data synthesis methods in terms of the privacy-utility trade-off.
Authors: Stella C. Dong
Abstract: This paper develops a prudential framework for assessing the reliability of large language models (LLMs) in reinsurance. A five-pillar architecture--governance, data lineage, assurance, resilience, and regulatory alignment--translates supervisory expectations from Solvency II, SR 11-7, and guidance from EIOPA (2025), NAIC (2023), and IAIS (2024) into measurable lifecycle controls. The framework is implemented through the Reinsurance AI Reliability and Assurance Benchmark (RAIRAB), which evaluates whether governance-embedded LLMs meet prudential standards for grounding, transparency, and accountability. Across six task families, retrieval-grounded configurations achieved higher grounding accuracy (0.90), reduced hallucination and interpretive drift by roughly 40%, and nearly doubled transparency. These mechanisms lower informational frictions in risk transfer and capital allocation, showing that existing prudential doctrines already accommodate reliable AI when governance is explicit, data are traceable, and assurance is verifiable.
Authors: Mehmet Batuhan Duman, Alejandro Carnero, Cristian Mart\'in, Daniel Garrido, Manuel D\'iaz
Abstract: Foam formation in Wastewater Treatment Plants (WTPs) is a major challenge that can reduce treatment efficiency and increase costs. The ability to automatically examine changes in real-time with respect to the percentage of foam can be of great benefit to the plant. However, large amounts of labeled data are required to train standard Machine Learning (ML) models. The development of these systems is slow due to the scarcity and heterogeneity of labeled data. Additionally, the development is often hindered by the fact that different WTPs do not share their data due to privacy concerns. This paper proposes a new framework to address these challenges by combining Federated Learning (FL) with the state-of-the-art base model for image segmentation, Segment Anything Model 2 (SAM2). The FL paradigm enables collaborative model training across multiple WTPs without centralizing sensitive operational data, thereby ensuring privacy. The framework accelerates training convergence and improves segmentation performance even with limited local datasets by leveraging SAM2's strong pre-trained weights for initialization. The methodology involves fine-tuning SAM2 on distributed clients (edge nodes) using the Flower framework, where a central Fog server orchestrates the process by aggregating model weights without accessing private data. The model was trained and validated using various data collections, including real-world images captured at a WTPs in Granada, Spain, a synthetically generated foam dataset, and images from publicly available datasets to improve generalization. This research offers a practical, scalable, and privacy-aware solution for automatic foam tracking in WTPs. The findings highlight the significant potential of integrating large-scale foundational models into FL systems to solve real-world industrial challenges characterized by distributed and sensitive data.
Authors: Jun Sun, Xinxin Zhang, Simin Hong, Jian Zhu, Xiang Gao
Abstract: Multimodal learning, while contributing to numerous success stories across various fields, faces the challenge of prohibitively expensive manual annotation. To address the scarcity of annotated data, a popular solution is unsupervised domain adaptation, which has been extensively studied in unimodal settings yet remains less explored in multimodal settings. In this paper, we investigate heterogeneous multimodal domain adaptation, where the primary challenge is the varying domain shifts of different modalities from the source to the target domain. We first introduce the information bottleneck method to learn representations for each modality independently, and then match the source and target domains in the representation space with correlation alignment. To balance the domain alignment of all modalities, we formulate the problem as a multi-objective task, aiming for a Pareto optimal solution. By exploiting the properties specific to our model, the problem can be simplified to a quadratic programming problem. Further approximation yields a closed-form solution, leading to an efficient modality-balanced multimodal domain adaptation algorithm. The proposed method features \textbf{B}alanced multi-\textbf{o}bjective \textbf{o}ptimization for \textbf{m}ultimodal \textbf{d}omain \textbf{a}daptation, termed \textbf{Boomda}. Extensive empirical results showcase the effectiveness of the proposed approach and demonstrate that Boomda outperforms the competing schemes. The code is is available at: https://github.com/sunjunaimer/Boomda.git.
Authors: Fayez Abu-Ajamieh, Shinsuke Kawai, Nobuchika Okada
Abstract: We revisit the fermion mass problem of the $SU(5)$ grand unified theory using machine learning techniques. The original $SU(5)$ model proposed by Georgi and Glashow is incompatible with the observed fermion mass spectrum. Two remedies are known to resolve this discrepancy, one is through introducing a new interaction via a 45-dimensional field, and the other via a 24-dimensional field. We investigate which modification is more natural, defining naturalness as proximity to the original Georgi-Glashow $SU(5)$ model. Our analysis shows that, in both supersymmetric and non-supersymmetric scenarios, the model incorporating the interaction with the 24-dimensional field is more natural under this criterion. We then generalise these models by introducing a continuous parameter $y$, which takes the value 3 for the 45-dimensional field and 1.5 for the 24-dimensional field. Numerical optimisation reveals that $y \approx 0.8$ yields the closest match to the original $SU(5)$ model, indicating that this value corresponds to the most natural model according to our definition.
Authors: Omri Isac, Idan Refaeli, Haoze Wu, Clark Barrett, Guy Katz
Abstract: The widespread adoption of deep neural networks (DNNs) requires efficient techniques for verifying their safety. DNN verifiers are complex tools, which might contain bugs that could compromise their soundness and undermine the reliability of the verification process. This concern can be mitigated using proofs: artifacts that are checkable by an external and reliable proof checker, and which attest to the correctness of the verification process. However, such proofs tend to be extremely large, limiting their use in many scenarios. In this work, we address this problem by minimizing proofs of unsatisfiability produced by DNN verifiers. We present algorithms that remove facts which were learned during the verification process, but which are unnecessary for the proof itself. Conceptually, our method analyzes the dependencies among facts used to deduce UNSAT, and removes facts that did not contribute. We then further minimize the proof by eliminating remaining unnecessary dependencies, using two alternative procedures. We implemented our algorithms on top of a proof producing DNN verifier, and evaluated them across several benchmarks. Our results show that our best-performing algorithm reduces proof size by 37%-82% and proof checking time by 30%-88%, while introducing a runtime overhead of 7%-20% to the verification process itself.
Authors: Silvie Ill\'esov\'a, Tom\'a\v{s} Bezd\v{e}k, Vojt\v{e}ch Nov\'ak, Ivan Zelinka, Stefano Cacciatore, Martin Beseda
Abstract: This work addresses the challenge of enabling practitioners without quantum expertise to transition from classical to hybrid quantum-classical machine learning workflows. We propose a three-stage framework: starting with a classical self-training model, then introducing a minimal hybrid quantum variant, and finally applying diagnostic feedback via QMetric to refine the hybrid architecture. In experiments on the Iris dataset, the refined hybrid model improved accuracy from 0.31 in the classical approach to 0.87 in the quantum approach. These results suggest that even modest quantum components, when guided by proper diagnostics, can enhance class separation and representation capacity in hybrid learning, offering a practical pathway for classical machine learning practitioners to leverage quantum-enhanced methods.
Authors: Devri\c{s} \.I\c{s}ler (IMDEA Networks Institute - Universidad Carlos III de Madrid), Elina van Kempen (University of California, Irvine), Seoyeon Hwang (Stealth Software Technologies Inc.), Nikolaos Laoutaris (IMDEA Networks Institute)
Abstract: Federated learning (FL) offers privacy preserving, distributed machine learning, allowing clients to contribute to a global model without revealing their local data. As models increasingly serve as monetizable digital assets, the ability to prove participation in their training becomes essential for establishing ownership. In this paper, we address this emerging need by introducing FedPoP, a novel FL framework that allows nonlinkable proof of participation while preserving client anonymity and privacy without requiring either extensive computations or a public ledger. FedPoP is designed to seamlessly integrate with existing secure aggregation protocols to ensure compatibility with real-world FL deployments. We provide a proof of concept implementation and an empirical evaluation under realistic client dropouts. In our prototype, FedPoP introduces 0.97 seconds of per-round overhead atop securely aggregated FL and enables a client to prove its participation/contribution to a model held by a third party in 0.0612 seconds. These results indicate FedPoP is practical for real-world deployments that require auditable participation without sacrificing privacy.
Authors: Rizal Khoirul Anam
Abstract: The proliferation of digital food applications necessitates robust methods for automated nutritional analysis and culinary guidance. This paper presents a comprehensive comparative evaluation of a decoupled, multimodal pipeline for food recognition. We evaluate a system integrating a specialized visual backbone (EfficientNet-B4) with a powerful generative large language model (Google's Gemini LLM). The core objective is to evaluate the trade-offs between visual classification accuracy, model efficiency, and the quality of generative output (nutritional data and recipes). We benchmark this pipeline against alternative vision backbones (VGG-16, ResNet-50, YOLOv8) and a lightweight LLM (Gemma). We introduce a formalization for "Semantic Error Propagation" (SEP) to analyze how classification inaccuracies from the visual module cascade into the generative output. Our analysis is grounded in a new Custom Chinese Food Dataset (CCFD) developed to address cultural bias in public datasets. Experimental results demonstrate that while EfficientNet-B4 (89.0\% Top-1 Acc.) provides the best balance of accuracy and efficiency, and Gemini (9.2/10 Factual Accuracy) provides superior generative quality, the system's overall utility is fundamentally bottlenecked by the visual front-end's perceptive accuracy. We conduct a detailed per-class analysis, identifying high semantic similarity as the most critical failure mode.
Authors: Rune Rost, Lorenzo Branca, Tobias Buck
Abstract: Radiative transfer is a fundamental process in astrophysics, essential for both interpreting observations and modeling thermal and dynamical feedback in simulations via ionizing radiation and photon pressure. However, numerically solving the underlying radiative transfer equation is computationally intensive due to the complex interaction of light with matter and the disparity between the speed of light and the typical gas velocities in astrophysical environments, making it particularly expensive to include the effects of on-the-fly radiation in hydrodynamic simulations. This motivates the development of surrogate models that can significantly accelerate radiative transfer calculations while preserving high accuracy. We present a surrogate model based on a Fourier Neural Operator architecture combined with U-Nets. Our model approximates three-dimensional, monochromatic radiative transfer in time-dependent regimes, in absorption-emission approximation, achieving speedups of more than 2 orders of magnitude while maintaining an average relative error below 3%, demonstrating our approach's potential to be integrated into state-of-the-art hydrodynamic simulations.
Authors: Felix Reichel
Abstract: Reichel (2025) defined the Bariance as $\mathrm{Bariance}(x)=\frac{1}{n(n-1)}\sum_{i
Authors: Devin Hunter, Chinwendu Enyioha
Abstract: Various neural network architectures are used in many of the state-of-the-art approaches for real-time nonlinear state estimation. With the ever-increasing incorporation of these data-driven models into the estimation domain, model predictions with reliable margins of error are a requirement -- especially for safety-critical applications. This paper discusses the application of a novel real-time, data-driven estimation approach based on the multi-fidelity residual physics-informed neural process (MFR-PINP) toward the real-time state estimation of a robotic system. Specifically, we address the model-mismatch issue of selecting an accurate kinematic model by tasking the MFR-PINP to also learn the residuals between simple, low-fidelity predictions and complex, high-fidelity ground-truth dynamics. To account for model uncertainty present in a physical implementation, robust uncertainty guarantees from the split conformal (SC) prediction framework are modeled in the training and inference paradigms. We provide implementation details of our MFR-PINP-based estimator for a hybrid online learning setting to validate our model's usage in real-time applications. Experimental results of our approach's performance in comparison to the state-of-the-art variants of the Kalman filter (i.e. unscented Kalman filter and deep Kalman filter) in estimation scenarios showed promising results for the MFR-PINP model as a viable option in real-time estimation tasks.
Authors: Jisoo Jang, Tien-Cuong Bui, Yunjun Choi, Wen-Syan Li
Abstract: This paper introduces an Error Correction through Prompt Tuning for NL-to-SQL, leveraging the latest advancements in generative pre-training-based LLMs and RAG. Our work addresses the crucial need for efficient and accurate translation of natural language queries into SQL expressions in various settings with the growing use of natural language interfaces. We explore the evolution of NLIDBs from early rule-based systems to advanced neural network-driven approaches. Drawing inspiration from the medical diagnostic process, we propose a novel framework integrating an error correction mechanism that diagnoses error types, identifies their causes, provides fixing instructions, and applies these corrections to SQL queries. This approach is further enriched by embedding fine-tuning and RAG, which harnesses external knowledge bases for improved accuracy and transparency. Through comprehensive experiments, we demonstrate that our framework achieves a significant 12 percent accuracy improvement over existing baselines, highlighting its potential to revolutionize data access and handling in contemporary data-driven environments.
Authors: Raphael Schwinger, Ben McEwen, Vincent S. Kather, Ren\'e Heinrich, Lukas Rauch, Sven Tomforde
Abstract: Passive acoustic monitoring enables large-scale biodiversity assessment, but reliable classification of bioacoustic sounds requires not only high accuracy but also well-calibrated uncertainty estimates to ground decision-making. In bioacoustics, calibration is challenged by overlapping vocalisations, long-tailed species distributions, and distribution shifts between training and deployment data. The calibration of multi-label deep learning classifiers within the domain of bioacoustics has not yet been assessed. We systematically benchmark the calibration of four state-of-the-art multi-label bird sound classifiers on the BirdSet benchmark, evaluating both global, per-dataset and per-class calibration using threshold-free calibration metrics (ECE, MCS) alongside discrimination metrics (cmAP). Model calibration varies significantly across datasets and classes. While Perch v2 and ConvNeXt$_{BS}$ show better global calibration, results vary between datasets. Both models indicate consistent underconfidence, while AudioProtoPNet and BirdMAE are mostly overconfident. Surprisingly, calibration seems to be better for less frequent classes. Using simple post hoc calibration methods we demonstrate a straightforward way to improve calibration. A small labelled calibration set is sufficient to significantly improve calibration with Platt scaling, while global calibration parameters suffer from dataset variability. Our findings highlight the importance of evaluating and improving uncertainty calibration in bioacoustic classifiers.
Authors: Dehan Shen, Changhao Chen
Abstract: Learning-based inertial odometry has achieved remarkable progress in pedestrian navigation. However, extending these methods to quadruped robots remains challenging due to their distinct and highly dynamic motion patterns. Models that perform well on pedestrian data often experience severe degradation when deployed on legged platforms. To tackle this challenge, we introduce X-IONet, a cross-platform inertial odometry framework that operates solely using a single Inertial Measurement Unit (IMU). X-IONet incorporates a rule-based expert selection module to classify motion platforms and route IMU sequences to platform-specific expert networks. The displacement prediction network features a dual-stage attention architecture that jointly models long-range temporal dependencies and inter-axis correlations, enabling accurate motion representation. It outputs both displacement and associated uncertainty, which are further fused through an Extended Kalman Filter (EKF) for robust state estimation. Extensive experiments on public pedestrian datasets and a self-collected quadruped robot dataset demonstrate that X-IONet achieves state-of-the-art performance, reducing Absolute Trajectory Error (ATE) by 14.3% and Relative Trajectory Error (RTE) by 11.4% on pedestrian data, and by 52.8% and 41.3% on quadruped robot data. These results highlight the effectiveness of X-IONet in advancing accurate and robust inertial navigation across both human and legged robot platforms.
Authors: Masahiro Kato
Abstract: This study investigates treatment effect estimation in the semi-supervised setting, where we can use not only the standard triple of covariates, treatment indicator, and outcome, but also unlabeled auxiliary covariates. For this problem, we develop efficiency bounds and efficient estimators whose asymptotic variance aligns with the efficiency bound. In the analysis, we introduce two different data-generating processes: the one-sample setting and the two-sample setting. The one-sample setting considers the case where we can observe treatment indicators and outcomes for a part of the dataset, which is also called the censoring setting. In contrast, the two-sample setting considers two independent datasets with labeled and unlabeled data, which is also called the case-control setting or the stratified setting. In both settings, we find that by incorporating auxiliary covariates, we can lower the efficiency bound and obtain an estimator with an asymptotic variance smaller than that without such auxiliary covariates.
Authors: Aranyak Acharyya, Joshua Agterberg, Youngser Park, Carey E. Priebe
Abstract: Generative models, such as large language models or text-to-image diffusion models, can generate relevant responses to user-given queries. Response-based vector embeddings of generative models facilitate statistical analysis and inference on a given collection of black-box generative models. The Data Kernel Perspective Space embedding is one particular method of obtaining response-based vector embeddings for a given set of generative models, already discussed in the literature. In this paper, under appropriate regularity conditions, we establish high probability concentration bounds on the sample vector embeddings for a given set of generative models, obtained through the method of Data Kernel Perspective Space embedding. Our results tell us the required number of sample responses needed in order to approximate the population-level vector embeddings with a desired level of accuracy. The algebraic tools used to establish our results can be used further for establishing concentration bounds on Classical Multidimensional Scaling embeddings in general, when the dissimilarities are observed with noise.
Authors: Mingkai Miao, Jianheng Tang, Guangyu Hu, Hongce Zhang
Abstract: Binary Decision Diagrams (BDDs) are instrumental in many electronic design automation (EDA) tasks thanks to their compact representation of Boolean functions. In BDD-based reversible-circuit synthesis, which is critical for quantum computing, the chosen variable ordering governs the number of BDD nodes and thus the key metrics of resource consumption, such as Quantum Cost. Because finding an optimal variable ordering for BDDs is an NP-complete problem, existing heuristics often degrade as circuit complexity grows. We introduce BDD2Seq, a graph-to-sequence framework that couples a Graph Neural Network encoder with a Pointer-Network decoder and Diverse Beam Search to predict high-quality orderings. By treating the circuit netlist as a graph, BDD2Seq learns structural dependencies that conventional heuristics overlooked, yielding smaller BDDs and faster synthesis. Extensive experiments on three public benchmarks show that BDD2Seq achieves around 1.4 times lower Quantum Cost and 3.7 times faster synthesis than modern heuristic algorithms. To the best of our knowledge, this is the first work to tackle the variable-ordering problem in BDD-based reversible-circuit synthesis with a graph-based generative model and diversity-promoting decoding.
Authors: Simone Ricci, Niccol\`o Biondi, Federico Pernici, Alberto Del Bimbo
Abstract: Minimizing inconsistencies across successive versions of an AI system is as crucial as reducing the overall error. In image classification, such inconsistencies manifest as negative flips, where an updated model misclassifies test samples that were previously classified correctly. This issue becomes increasingly pronounced as the number of training classes grows over time, since adding new categories reduces the margin of each class and may introduce conflicting patterns that undermine their learning process, thereby degrading performance on the original subset. To mitigate negative flips, we propose a novel approach that preserves the margins of the original model while learning an improved one. Our method encourages a larger relative margin between the previously learned and newly introduced classes by introducing an explicit margin-calibration term on the logits. However, overly constraining the logit margin for the new classes can significantly degrade their accuracy compared to a new independently trained model. To address this, we integrate a double-source focal distillation loss with the previous model and a new independently trained model, learning an appropriate decision margin from both old and new data, even under a logit margin calibration. Extensive experiments on image classification benchmarks demonstrate that our approach consistently reduces the negative flip rate with high overall accuracy.
Authors: Zhiheng Xi, Chenyang Liao, Guanyu Li, Yajie Yang, Wenxiang Chen, Zhihao Zhang, Binghai Wang, Senjie Jin, Yuhao Zhou, Jian Guan, Wei Wu, Tao Ji, Tao Gui, Qi Zhang, Xuanjing Huang
Abstract: Despite rapid development, large language models (LLMs) still encounter challenges in multi-turn decision-making tasks (i.e., agent tasks) like web shopping and browser navigation, which require making a sequence of intelligent decisions based on environmental feedback. Previous work for LLM agents typically relies on elaborate prompt engineering or fine-tuning with expert trajectories to improve performance. In this work, we take a different perspective: we explore constructing process reward models (PRMs) to evaluate each decision and guide the agent's decision-making process. Unlike LLM reasoning, where each step is scored based on correctness, actions in agent tasks do not have a clear-cut correctness. Instead, they should be evaluated based on their proximity to the goal and the progress they have made. Building on this insight, we propose a re-defined PRM for agent tasks, named AgentPRM, to capture both the interdependence between sequential decisions and their contribution to the final goal. This enables better progress tracking and exploration-exploitation balance. To scalably obtain labeled data for training AgentPRM, we employ a Temporal Difference-based (TD-based) estimation method combined with Generalized Advantage Estimation (GAE), which proves more sample-efficient than prior methods. Extensive experiments across different agentic tasks show that AgentPRM is over $8\times$ more compute-efficient than baselines, and it demonstrates robust improvement when scaling up test-time compute. Moreover, we perform detailed analyses to show how our method works and offer more insights, e.g., applying AgentPRM to the reinforcement learning of LLM agents.
Authors: Jo\~ao Vitorino, Daniela Pinto, Eva Maia, Ivone Amorim, Isabel Pra\c{c}a
Abstract: To ensure that Machine Learning (ML) models can perform a robust detection and classification of cyberattacks, it is essential to train them with high-quality datasets with relevant features. However, it can be difficult to accurately represent the complex traffic patterns of an attack, especially in Internet-of-Things (IoT) networks. This paper studies the impact that seemingly similar features created by different network traffic flow exporters can have on the generalization and robustness of ML models. In addition to the original CSV files of the Bot-IoT, IoT-23, and CICIoT23 datasets, the raw network packets of their PCAP files were analysed with the HERA tool, generating new labelled flows and extracting consistent features for new CSV versions. To assess the usefulness of these new flows for intrusion detection, they were compared with the original versions and were used to fine-tune multiple models. Overall, the results indicate that directly analysing and preprocessing PCAP files, instead of just using the commonly available CSV files, enables the computation of more relevant features to train bagging and gradient boosting decision tree ensembles. It is important to continue improving feature extraction and feature selection processes to make different datasets more compatible and enable a trustworthy evaluation and comparison of the ML models used in cybersecurity solutions.
Authors: Grace Guinan, Michelle A. Smeaton, Brian C. Wyatt, Steven Goldy, Hilary Egan, Andrew Glaws, Garritt J. Tucker, Babak Anasori, Steven R. Spurgeon
Abstract: Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti$_3$C$_2$T$_X$ MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures--from isolated vacancies to nanopores--revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.
Authors: Dan Liu, Nikita Dvornik, Xue Liu
Abstract: Deep neural networks (DNNs) are used in many applications, but their large size and high computational cost make them hard to run on devices with limited resources. Two widely used techniques to address this challenge are weight quantization, which lowers the precision of all weights, and structured sparsity, which removes unimportant weights while retaining the important ones at full precision. Although both are effective individually, they are typically studied in isolation due to their compounded negative impact on model accuracy when combined. In this work, we introduce SLOPE Structured Sparsity at Low Precision), a unified framework, to effectively combine structured sparsity and low-bit quantization in a principled way. We show that naively combining sparsity and quantization severely harms performance due to the compounded impact of both techniques. To address this, we propose a training-time regularization strategy that minimizes the discrepancy between full-precision weights and their sparse, quantized counterparts by promoting angular alignment rather than direct matching. On ResNet-18, SLOPE achieves $\sim20\times$ model size reduction while retaining $\sim$99% of the original accuracy. It consistently outperforms state-of-the-art quantization and structured sparsity methods across classification, detection, and segmentation tasks on models such as ResNet-18, ViT-Small, and Mask R-CNN.
Authors: Gordon Ma, Dimitris G. Angelakis
Abstract: Qubit-efficient optimization seeks to represent an $N$-variable combinatorial problem within a Hilbert space smaller than $2^N$, using only as much quantum structure as the objective itself requires. Quadratic unconstrained binary optimization (QUBO) problems, for example, depend only on pairwise information -- expectations and correlations between binary variables -- yet standard quantum circuits explore exponentially large state spaces. We recast qubit-efficient optimization as a geometry problem: the minimal representation should match the $O(N^2)$ structure of quadratic objectives. The key insight is that the local-consistency problem -- ensuring that pairwise marginals correspond to a realizable global distribution -- coincides exactly with the Sherali-Adams level-2 polytope $\mathrm{SA}(2)$, the tightest convex relaxation expressible at the two-body level. Previous qubit-efficient approaches enforced this consistency only implicitly. Here we make it explicit: (a) anchoring learning to the $\mathrm{SA}(2)$ geometry, (b) projecting via a differentiable iterative-proportional-fitting (IPF) step, and (c) decoding through a maximum-entropy Gibbs sampler. This yields a logarithmic-width pipeline ($2\lceil\log_2 N\rceil + 2$ qubits) that is classically simulable yet achieves strong empirical performance. On Gset Max-Cut instances (N=800--2000), depth-2--3 circuits reach near-optimal ratios ($r^* \approx 0.99$), surpassing direct $\mathrm{SA}(2)$ baselines. The framework resolves the local-consistency gap by giving it a concrete convex geometry and a minimal differentiable projection, establishing a clean polyhedral baseline. Extending beyond $\mathrm{SA}(2)$ naturally leads to spectrahedral geometries, where curvature encodes global coherence and genuine quantum structure becomes necessary.
Authors: Giorgio Piras, Raffaele Mura, Fabio Brau, Luca Oneto, Fabio Roli, Battista Biggio
Abstract: Refusal refers to the functional behavior enabling safety-aligned language models to reject harmful or unethical prompts. Following the growing scientific interest in mechanistic interpretability, recent work encoded refusal behavior as a single direction in the model's latent space; e.g., computed as the difference between the centroids of harmful and harmless prompt representations. However, emerging evidence suggests that concepts in LLMs often appear to be encoded as a low-dimensional manifold embedded in the high-dimensional latent space. Motivated by these findings, we propose a novel method leveraging Self-Organizing Maps (SOMs) to extract multiple refusal directions. To this end, we first prove that SOMs generalize the prior work's difference-in-means technique. We then train SOMs on harmful prompt representations to identify multiple neurons. By subtracting the centroid of harmless representations from each neuron, we derive a set of multiple directions expressing the refusal concept. We validate our method on an extensive experimental setup, demonstrating that ablating multiple directions from models' internals outperforms not only the single-direction baseline but also specialized jailbreak algorithms, leading to an effective suppression of refusal. Finally, we conclude by analyzing the mechanistic implications of our approach.
Authors: Sian Gooding, Edward Grefenstette
Abstract: The alignment of Large Language Models (LLMs) for multi-turn conversations typically relies on reward signals derived from the content of the text. This approach, however, overlooks a rich, complementary source of signal: the dynamics of the interaction itself. This paper introduces TRACE (Trajectory-based Reward for Agent Collaboration Estimation), a novel reward signal derived from the geometric properties of a dialogue's embedding trajectory--a concept we term 'conversational geometry'. Our central finding is that a reward model trained only on these structural signals achieves a pairwise accuracy (68.20%) comparable to a powerful LLM baseline that analyzes the full transcript (70.04%). Furthermore, a hybrid model combining interaction dynamics with textual analysis achieves the highest performance (80.17%), demonstrating their complementary nature. This work provides strong evidence that for interactive settings, how an agent communicates is as powerful a predictor of success as what it says, offering a new, privacy-preserving framework that not only aligns agents but also serves as a diagnostic tool for understanding the distinct interaction patterns that drive successful collaboration.
Authors: C. Evans Hedges
Abstract: We prove a fundamental misalignment in transfer learning: the source regularization that minimizes source risk almost never coincides with the regularization maximizing transfer benefit. Through sharp phase boundaries for L2-SP ridge regression, we characterize the transfer-optimal source penalty $\tau_0^*$ and show it diverges predictably from task-optimal values, requiring stronger regularization in high-SNR regimes and weaker regularization in low-SNR regimes. Additionally, in isotropic settings the decision to transfer is remarkably independent of target sample size and noise, depending only on task alignment and source characteristics. CIFAR-10 and MNIST experiments confirm this counterintuitive pattern persists in non-linear networks.
Authors: Difei Gu, Yunhe Gao, Mu Zhou, Dimitris Metaxas
Abstract: Accurate disease interpretation from radiology remains challenging due to imaging heterogeneity. Achieving expert-level diagnostic decisions requires integration of subtle image features with clinical knowledge. Yet major vision-language models (VLMs) treat images as holistic entities and overlook fine-grained image details that are vital for disease diagnosis. Clinicians analyze images by utilizing their prior medical knowledge and identify anatomical structures as important region of interests (ROIs). Inspired from this human-centric workflow, we introduce Anatomy-VLM, a fine-grained, vision-language model that incorporates multi-scale information. First, we design a model encoder to localize key anatomical features from entire medical images. Second, these regions are enriched with structured knowledge for contextually-aware interpretation. Finally, the model encoder aligns multi-scale medical information to generate clinically-interpretable disease prediction. Anatomy-VLM achieves outstanding performance on both in- and out-of-distribution datasets. We also validate the performance of Anatomy-VLM on downstream image segmentation tasks, suggesting that its fine-grained alignment captures anatomical and pathology-related knowledge. Furthermore, the Anatomy-VLM's encoder facilitates zero-shot anatomy-wise interpretation, providing its strong expert-level clinical interpretation capabilities.
Authors: Hai-Long Qin, Jincheng Dai, Guo Lu, Shuo Shao, Sixian Wang, Tongda Xu, Wenjun Zhang, Ping Zhang, Khaled B. Letaief
Abstract: Semantic communications mark a paradigm shift from bit-accurate transmission toward meaning-centric communication, essential as wireless systems approach theoretical capacity limits. The emergence of generative AI has catalyzed generative semantic communications, where receivers reconstruct content from minimal semantic cues by leveraging learned priors. Among generative approaches, diffusion models stand out for their superior generation quality, stable training dynamics, and rigorous theoretical foundations. However, the field currently lacks systematic guidance connecting diffusion techniques to communication system design, forcing researchers to navigate disparate literatures. This article provides the first comprehensive tutorial on diffusion models for generative semantic communications. We present score-based diffusion foundations and systematically review three technical pillars: conditional diffusion for controllable generation, efficient diffusion for accelerated inference, and generalized diffusion for cross-domain adaptation. In addition, we introduce an inverse problem perspective that reformulates semantic decoding as posterior inference, bridging semantic communications with computational imaging. Through analysis of human-centric, machine-centric, and agent-centric scenarios, we illustrate how diffusion models enable extreme compression while maintaining semantic fidelity and robustness. By bridging generative AI innovations with communication system design, this article aims to establish diffusion models as foundational components of next-generation wireless networks and beyond.
Authors: Saber Omidi, Marek Petrik, Se Young Yoon, Momotaz Begum
Abstract: Safety in stochastic control systems, which are subject to random noise with a known probability distribution, aims to compute policies that satisfy predefined operational constraints with high confidence throughout the uncertain evolution of the state variables. The unpredictable evolution of state variables poses a significant challenge for meeting predefined constraints using various control methods. To address this, we present a new algorithm that computes safe policies to determine the safety level across a finite state set. This algorithm reduces the safety objective to the standard average reward Markov Decision Process (MDP) objective. This reduction enables us to use standard techniques, such as linear programs, to compute and analyze safe policies. We validate the proposed method numerically on the Double Integrator and the Inverted Pendulum systems. Results indicate that the average-reward MDPs solution is more comprehensive, converges faster, and offers higher quality compared to the minimum discounted-reward solution.
Authors: Evgeniya Kabliman, Gabriel Kronberger
Abstract: Process-structure-property relationships are fundamental in materials science and engineering and are key to the development of new and improved materials. Symbolic regression serves as a powerful tool for uncovering mathematical models that describe these relationships. It can automatically generate equations to predict material behaviour under specific manufacturing conditions and optimize performance characteristics such as strength and elasticity. The present work illustrates how symbolic regression can derive constitutive models that describe the behaviour of various metallic alloys during plastic deformation. Constitutive modelling is a mathematical framework for understanding the relationship between stress and strain in materials under different loading conditions. In this study, two materials (age-hardenable aluminium alloy and high-chromium martensitic steel) and two different testing methods (compression and tension) are considered to obtain the required stress-strain data. The results highlight the benefits of using symbolic regression while also discussing potential challenges.
Authors: Shivam Pandey, Christopher C. Lovell, Chirag Modi, Benjamin D. Wandelt
Abstract: Connecting the formation and evolution of galaxies to the large-scale structure is crucial for interpreting cosmological observations. While hydrodynamical simulations accurately model the correlated properties of galaxies, they are computationally prohibitive to run over volumes that match modern surveys. We address this by developing a framework to rapidly generate mock galaxy catalogs conditioned on inexpensive dark-matter-only simulations. We present a multi-modal, transformer-based model that takes 3D dark matter density and velocity fields as input, and outputs a corresponding point cloud of galaxies with their physical properties. We demonstrate that our trained model faithfully reproduces a variety of galaxy summary statistics and correctly captures their variation with changes in the underlying cosmological and astrophysical parameters, making it the first accelerated forward model to capture all the relevant galaxy properties, their full spatial distribution, and their conditional dependencies in hydrosimulations.
Authors: Siddharth Sahay
Abstract: This paper presents a comprehensive methodology and comparative performance analysis for the automated classification and object detection of peripheral blood cells (PBCs) in microscopic images. Addressing the critical challenge of data scarcity and heterogeneity, robust data pipeline was first developed to standardize and merge four public datasets (PBC, BCCD, Chula, Sickle Cell) into a unified resource. Then employed a state-of-the-art Faster R-CNN object detection framework, leveraging a ResNet-50-FPN backbone. Comparative training rigorously evaluated a randomly initialized baseline model (Regimen 1) against a Transfer Learning Regimen (Regimen 2), initialized with weights pre-trained on the Microsoft COCO dataset. The results demonstrate that the Transfer Learning approach achieved significantly faster convergence and superior stability, culminating in a final validation loss of 0.08666, a substantial improvement over the baseline. This validated methodology establishes a robust foundation for building high-accuracy, deployable systems for automated hematological diagnosis.
Authors: Li Yang, Abdallah Shami
Abstract: With increasingly sophisticated cybersecurity threats and rising demand for network automation, autonomous cybersecurity mechanisms are becoming critical for securing modern networks. The rapid expansion of Internet of Things (IoT) systems amplifies these challenges, as resource-constrained IoT devices demand scalable and efficient security solutions. In this work, an innovative Intrusion Detection System (IDS) utilizing Automated Machine Learning (AutoML) and Multi-Objective Optimization (MOO) is proposed for autonomous and optimized cyber-attack detection in modern networking environments. The proposed IDS framework integrates two primary innovative techniques: Optimized Importance and Percentage-based Automated Feature Selection (OIP-AutoFS) and Optimized Performance, Confidence, and Efficiency-based Combined Algorithm Selection and Hyperparameter Optimization (OPCE-CASH). These components optimize feature selection and model learning processes to strike a balance between intrusion detection effectiveness and computational efficiency. This work presents the first IDS framework that integrates all four AutoML stages and employs multi-objective optimization to jointly optimize detection effectiveness, efficiency, and confidence for deployment in resource-constrained systems. Experimental evaluations over two benchmark cybersecurity datasets demonstrate that the proposed MOO-AutoML IDS outperforms state-of-the-art IDSs, establishing a new benchmark for autonomous, efficient, and optimized security for networks. Designed to support IoT and edge environments with resource constraints, the proposed framework is applicable to a variety of autonomous cybersecurity applications across diverse networked environments.
Authors: Berkcan Kapusuzoglu, Supriyo Chakraborty, Renkun Ni, Stephen Rawls, Sambit Sahu
Abstract: Large language models (LLMs) adapted to financial domains often suffer from catastrophic forgetting of general reasoning capabilities essential for customer interactions and complex financial analysis. We introduce Selective Parameter Evaluation and Restoration via Model Merging (SPEAR-MM), a practical framework that preserves critical capabilities while enabling domain adaptation. Our method approximates layer-wise impact on external benchmarks through post-hoc analysis, then selectively freezes or restores transformer layers via spherical interpolation merging. Applied to LLaMA-3.1-8B for financial tasks, SPEAR-MM achieves 91.2% retention of general capabilities versus 69.7% for standard continual pretraining, while maintaining 94% of domain adaptation gains. The approach provides interpretable trade-off control and reduces computational costs by 90% crucial for resource-constrained financial institutions.
Authors: Omri Koshorek, Niv Granot, Aviv Alloni, Shahar Admati, Roee Hendel, Ido Weiss, Alan Arazi, Shay-Nitzan Cohen, Yonatan Belinkov
Abstract: Retrieval-Augmented Generation (RAG) has become the dominant approach for answering questions over large corpora. However, current datasets and methods are highly focused on cases where only a small part of the corpus (usually a few paragraphs) is relevant per query, and fail to capture the rich world of aggregative queries. These require gathering information from a large set of documents and reasoning over them. To address this gap, we propose S-RAG, an approach specifically designed for such queries. At ingestion time, S-RAG constructs a structured representation of the corpus; at inference time, it translates natural-language queries into formal queries over said representation. To validate our approach and promote further research in this area, we introduce two new datasets of aggregative queries: HOTELS and WORLD CUP. Experiments with S-RAG on the newly introduced datasets, as well as on a public benchmark, demonstrate that it substantially outperforms both common RAG systems and long-context LLMs.
Authors: Leonie Bossemeyer, Samuel Heinrich, Grant Van Horn, Oisin Mac Aodha
Abstract: Mastering fine-grained visual recognition, essential in many expert domains, can require that specialists undergo years of dedicated training. Modeling the progression of such expertize in humans remains challenging, and accurately inferring a human learner's knowledge state is a key step toward understanding visual learning. We introduce CleverBirds, a large-scale knowledge tracing benchmark for fine-grained bird species recognition. Collected by the citizen-science platform eBird, it offers insight into how individuals acquire expertize in complex fine-grained classification. More than 40,000 participants have engaged in the quiz, answering over 17 million multiple-choice questions spanning over 10,000 bird species, with long-range learning patterns across an average of 400 questions per participant. We release this dataset to support the development and evaluation of new methods for visual knowledge tracing. We show that tracking learners' knowledge is challenging, especially across participant subgroups and question types, with different forms of contextual information offering varying degrees of predictive benefit. CleverBirds is among the largest benchmark of its kind, offering a substantially higher number of learnable concepts. With it, we hope to enable new avenues for studying the development of visual expertize over time and across individuals.
Authors: Shanaka Liyanaarachchi, Chathurya Wijethunga, Shihab Aaquil Ahamed, Akthas Absar, Ranga Rodrigo
Abstract: Spatial transcriptomics is an emerging field that enables the identification of functional regions based on the spatial distribution of gene expression. Integrating this functional information present in transcriptomic data with structural data from histopathology images is an active research area with applications in identifying tumor substructures associated with cancer drug resistance. Current histopathology-spatial-transcriptomic region segmentation methods suffer due to either making spatial transcriptomics prominent by using histopathology features just to assist processing spatial transcriptomics data or using vanilla contrastive learning that make histopathology images prominent due to only promoting common features losing functional information. In both extremes, the model gets either lost in the noise of spatial transcriptomics or overly smoothed, losing essential information. Thus, we propose our novel architecture SENCA-st (Shared Encoder with Neighborhood Cross Attention) that preserves the features of both modalities. More importantly, it emphasizes regions that are structurally similar in histopathology but functionally different on spatial transcriptomics using cross-attention. We demonstrate the superior performance of our model that surpasses state-of-the-art methods in detecting tumor heterogeneity and tumor micro-environment regions, a clinically crucial aspect.
Authors: Tianyu Fu, Yichen You, Zekai Chen, Guohao Dai, Huazhong Yang, Yu Wang
Abstract: Improving reasoning capabilities of Large Language Models (LLMs), especially under parameter constraints, is crucial for real-world applications. Prior work proposes recurrent transformers, which allocate a fixed number of extra iterations per token to improve generation quality. After the first, standard forward pass, instead of verbalization, last-layer hidden states are fed back as inputs for additional iterations to refine token predictions. Yet we identify a latent overthinking phenomenon: easy token predictions that are already correct after the first pass are sometimes revised into errors in additional iterations. To address this, we propose Think-at-Hard (TaH), a dynamic latent thinking method that iterates deeper only at hard tokens. It employs a lightweight neural decider to trigger latent iterations only at tokens that are likely incorrect after the standard forward pass. During latent iterations, Low-Rank Adaptation (LoRA) modules shift the LLM objective from general next-token prediction to focused hard-token refinement. We further introduce a duo-causal attention mechanism that extends attention from the token sequence dimension to an additional iteration depth dimension. This enables cross-iteration information flow while maintaining full sequential parallelism. Experiments show that TaH boosts LLM reasoning performance across five challenging benchmarks while maintaining the same parameter count. Compared with baselines that iterate twice for all output tokens, TaH delivers 8.1-11.3% accuracy gains while exempting 94% of tokens from the second iteration. Against strong single-iteration Qwen3 models finetuned with the same data, it also delivers 4.0-5.0% accuracy gains. When allowing less than 3% additional parameters from LoRA and the iteration decider, the gains increase to 8.5-12.6% and 5.3-5.4%, respectively. Our code is available at https://github.com/thu-nics/TaH.
Authors: Belinda Z. Li, Zifan Carl Guo, Vincent Huang, Jacob Steinhardt, Jacob Andreas
Abstract: Can language models (LMs) learn to faithfully describe their internal computations? Are they better able to describe themselves than other models? We study the extent to which LMs' privileged access to their own internals can be leveraged to produce new techniques for explaining their behavior. Using existing interpretability techniques as a source of ground truth, we fine-tune LMs to generate natural language descriptions of (1) the information encoded by LM features, (2) the causal structure of LMs' internal activations, and (3) the influence of specific input tokens on LM outputs. When trained with only tens of thousands of example explanations, explainer models exhibit non-trivial generalization to new queries. This generalization appears partly attributable to explainer models' privileged access to their own internals: using a model to explain its own computations generally works better than using a *different* model to explain its computations (even if the other model is significantly more capable). Our results suggest not only that LMs can learn to reliably explain their internal computations, but that such explanations offer a scalable complement to existing interpretability methods.
Authors: Rong Xue, Jiageng Mao, Mingtong Zhang, Yue Wang
Abstract: Developing efficient and accurate visuomotor policies poses a central challenge in robotic imitation learning. While recent rectified flow approaches have advanced visuomotor policy learning, they suffer from a key limitation: After iterative distillation, generated actions may deviate from the ground-truth actions corresponding to the current visual observation, leading to accumulated error as the reflow process repeats and unstable task execution. We present Selective Flow Alignment (SeFA), an efficient and accurate visuomotor policy learning framework. SeFA resolves this challenge by a selective flow alignment strategy, which leverages expert demonstrations to selectively correct generated actions and restore consistency with observations, while preserving multimodality. This design introduces a consistency correction mechanism that ensures generated actions remain observation-aligned without sacrificing the efficiency of one-step flow inference. Extensive experiments across both simulated and real-world manipulation tasks show that SeFA Policy surpasses state-of-the-art diffusion-based and flow-based policies, achieving superior accuracy and robustness while reducing inference latency by over 98%. By unifying rectified flow efficiency with observation-consistent action generation, SeFA provides a scalable and dependable solution for real-time visuomotor policy learning. Code is available on https://github.com/RongXueZoe/SeFA.
Authors: Noga Bar, Tomer Koren, Raja Giryes
Abstract: Neural networks are widespread due to their powerful performance. Yet, they degrade in the presence of noisy labels at training time. Inspired by the setting of learning with expert advice, where multiplicative weights (MW) updates were recently shown to be robust to moderate data corruptions in expert advice, we propose to use MW for reweighting examples during neural networks optimization. We theoretically establish the convergence of our method when used with gradient descent and prove its advantages in 1d cases. We then validate empirically our findings for the general case by showing that MW improves neural networks' accuracy in the presence of label noise on CIFAR-10, CIFAR-100 and Clothing1M. We also show the impact of our approach on adversarial robustness.
Authors: Jiayu Chen, Zhekai Wang, Vaneet Aggarwal
Abstract: Imperfect Information Games (IIGs) offer robust models for scenarios where decision-makers face uncertainty or lack complete information. Counterfactual Regret Minimization (CFR) has been one of the most successful family of algorithms for tackling IIGs. The integration of skill-based strategy learning with CFR could potentially mirror more human-like decision-making process and enhance the learning performance for complex IIGs. It enables the learning of a hierarchical strategy, wherein low-level components represent skills for solving subgames and the high-level component manages the transition between skills. In this paper, we introduce the first hierarchical version of Deep CFR (HDCFR), an innovative method that boosts learning efficiency in tasks involving extensively large state spaces and deep game trees. A notable advantage of HDCFR over previous works is its ability to facilitate learning with predefined (human) expertise and foster the acquisition of skills that can be transferred to similar tasks. To achieve this, we initially construct our algorithm on a tabular setting, encompassing hierarchical CFR updating rules and a variance-reduced Monte Carlo sampling extension. Notably, we offer the theoretical justifications, including the convergence rate of the proposed updating rule, the unbiasedness of the Monte Carlo regret estimator, and ideal criteria for effective variance reduction. Then, we employ neural networks as function approximators and develop deep learning objectives to adapt our proposed algorithms for large-scale tasks, while maintaining the theoretical support.
Authors: Noga Bar, Raja Giryes
Abstract: The lottery ticket hypothesis (LTH) has increased attention to pruning neural networks at initialization. We study this problem in the linear setting. We show that finding a sparse mask at initialization is equivalent to the sketching problem introduced for efficient matrix multiplication. This gives us tools to analyze the LTH problem and gain insights into it. Specifically, using the mask found at initialization, we bound the approximation error of the pruned linear model at the end of training. We theoretically justify previous empirical evidence that the search for sparse networks may be data independent. By using the sketching perspective, we suggest a generic improvement to existing algorithms for pruning at initialization, which we show to be beneficial in the data-independent case.
Authors: Sander Dalm, Joshua Offergeld, Nasir Ahmad, Marcel van Gerven
Abstract: The backpropagation algorithm remains the dominant and most successful method for training deep neural networks (DNNs). At the same time, training DNNs at scale comes at a significant computational cost and therefore a high carbon footprint. Converging evidence suggests that input decorrelation may speed up deep learning. However, to date, this has not yet translated into substantial improvements in training efficiency in large-scale DNNs. This is mainly caused by the challenge of enforcing fast and stable network-wide decorrelation. Here, we show for the first time that much more efficient training of deep convolutional neural networks is feasible by embracing decorrelated backpropagation as a mechanism for learning. To achieve this goal we made use of a novel algorithm which induces network-wide input decorrelation using minimal computational overhead. By combining this algorithm with careful optimizations, we achieve a more than two-fold speed-up and higher test accuracy compared to backpropagation when training several deep residual networks. This demonstrates that decorrelation provides exciting prospects for efficient deep learning at scale.
Authors: Yutao Feng, Yintong Shang, Xiang Feng, Lei Lan, Shandian Zhe, Tianjia Shao, Hongzhi Wu, Kun Zhou, Chenfanfu Jiang, Yin Yang
Abstract: We present ElastoGen, a knowledge-driven AI model that generates physically accurate 4D elastodynamics. Unlike deep models that learn from video- or image-based observations, ElastoGen leverages the principles of physics and learns from established mathematical and optimization procedures. The core idea of ElastoGen is converting the differential equation, corresponding to the nonlinear force equilibrium, into a series of iterative local convolution-like operations, which naturally fit deep architectures. We carefully build our network module following this overarching design philosophy. ElastoGen is much more lightweight in terms of both training requirements and network scale than deep generative models. Because of its alignment with actual physical procedures, ElastoGen efficiently generates accurate dynamics for a wide range of hyperelastic materials and can be easily integrated with upstream and downstream deep modules to enable end-to-end 4D generation.
Authors: Simone Brugiapaglia, Nick Dexter, Samir Karam, Weiqi Wang
Abstract: On the forefront of scientific computing, Deep Learning (DL), i.e., machine learning with Deep Neural Networks (DNNs), has emerged a powerful new tool for solving Partial Differential Equations (PDEs). It has been observed that DNNs are particularly well suited to weakening the effect of the curse of dimensionality, a term coined by Richard E. Bellman in the late `50s to describe challenges such as the exponential dependence of the sample complexity, i.e., the number of samples required to solve an approximation problem, on the dimension of the ambient space. However, although DNNs have been used to solve PDEs since the `90s, the literature underpinning their mathematical efficiency in terms of numerical analysis (i.e., stability, accuracy, and sample complexity), is only recently beginning to emerge. In this paper, we leverage recent advancements in function approximation using sparsity-based techniques and random sampling to develop and analyze an efficient high-dimensional PDE solver based on DL. We show, both theoretically and numerically, that it can compete with a novel stable and accurate compressive spectral collocation method for the solution of high-dimensional, steady-state diffusion-reaction equations with periodic boundary conditions. In particular, we demonstrate a new practical existence theorem, which establishes the existence of a class of trainable DNNs with suitable bounds on the network architecture and a sufficient condition on the sample complexity, with logarithmic or, at worst, linear scaling in dimension, such that the resulting networks stably and accurately approximate a diffusion-reaction PDE with high probability.
Authors: Yixiu Zhao, Jiaxin Shi, Feng Chen, Shaul Druckmann, Lester Mackey, Scott Linderman
Abstract: Discrete diffusion has emerged as a powerful framework for generative modeling in discrete domains, yet efficiently sampling from these models remains challenging. Existing sampling strategies often struggle to balance computation and sample quality when the number of sampling steps is reduced, even when the model has learned the data distribution well. To address these limitations, we propose a predictor-corrector sampling scheme where the corrector is informed by the diffusion model to more reliably counter the accumulating approximation errors. To further enhance the effectiveness of our informed corrector, we introduce complementary architectural modifications based on hollow transformers and a simple tailored training objective that leverages more training signal. We use a synthetic example to illustrate the failure modes of existing samplers and show how informed correctors alleviate these problems. On the text8 and tokenized ImageNet 256x256 datasets, our informed corrector consistently produces superior samples with fewer errors or improved FID scores for discrete diffusion models. These results underscore the potential of informed correctors for fast and high-fidelity generation using discrete diffusion. Our code is available at https://github.com/lindermanlab/informed-correctors.
Authors: Akash Harapanahalli, Samuel Coogan
Abstract: We consider a nonlinear control system modeled as an ordinary differential equation subject to disturbance, with a state feedback controller parameterized as a feedforward neural network. We propose a framework for training controllers with certified robust forward invariant polytopes, where any trajectory initialized inside the polytope remains within the polytope, regardless of the disturbance. First, we parameterize a family of lifted control systems in a higher dimensional space, where the original neural controlled system evolves on an invariant subspace of each lifted system. We use interval analysis and neural network verifiers to further construct a family of lifted embedding systems, carefully capturing the knowledge of this invariant subspace. If the vector field of any lifted embedding system satisfies a sign constraint at a single point, then a certain convex polytope of the original system is robustly forward invariant. Treating the neural network controller and the lifted system parameters as variables, we propose an algorithm to train controllers with certified forward invariant polytopes in the closed-loop control system. Through two examples, we demonstrate how the simplicity of the sign constraint allows our approach to scale with system dimension to over $50$ states, and outperform state-of-the-art Lyapunov-based sampling approaches in runtime.
Authors: Jiayu Chen, Le Xu, Wentse Chen, Jeff Schneider
Abstract: Offline RL is a powerful approach for data-driven decision-making and control. Compared to model-free methods, offline model-based RL (MBRL) explicitly learns world models from a static dataset and uses them as surrogate simulators, improving the data efficiency and enabling the learned policy to potentially generalize beyond the dataset support. However, there could be various MDPs that behave identically on the offline dataset and dealing with the uncertainty about the true MDP can be challenging. In this paper, we propose modeling offline MBRL as a Bayes Adaptive Markov Decision Process (BAMDP), which is a principled framework for addressing model uncertainty. We further propose a novel Bayes Adaptive Monte-Carlo planning algorithm capable of solving BAMDPs in continuous state and action spaces with stochastic transitions. This planning process is based on Monte Carlo Tree Search and can be integrated into offline MBRL as a policy improvement operator in policy iteration. Our ``RL + Search" framework follows in the footsteps of superhuman AIs like AlphaZero, improving on current offline MBRL methods by incorporating more computation input. The proposed algorithm significantly outperforms state-of-the-art offline RL methods on twelve D4RL MuJoCo tasks and three target tracking tasks in a challenging, stochastic tokamak control simulator. The codebase is available at: https://github.com/LucasCJYSDL/Offline-RL-Kit.
Authors: Costin-Andrei Oncescu, Sanket Purandare, Stratos Idreos, Sham Kakade
Abstract: While transformers have been at the core of most recent advancements in sequence generative models, their computational cost remains quadratic in sequence length. Several subquadratic architectures have been proposed to address this computational issue. Some of them, including long convolution sequence models (LCSMs), such as Hyena, address this issue at training time but remain quadratic during inference. We propose a method for speeding up LCSMs' exact inference to quasilinear $O(L\log^2L)$ time, identify the key properties that make this possible, and propose a general framework that exploits these. Our approach, inspired by previous work on relaxed polynomial interpolation, is based on a tiling which helps decrease memory movement and share computation. It has the added benefit of allowing for almost complete parallelization across layers of the position-mixing part of the architecture. Empirically, we provide a proof of concept implementation for Hyena, which gets up to $7.8\times$ end-to-end improvement over standard inference by improving $110\times$ within the position-mixing part.
Authors: Aladin Djuhera, Amin Seffo, Vlad C. Andrei, Holger Boche, Walid Saad
Abstract: Path planning under wireless performance constraints is a complex challenge in robot navigation. However, naively incorporating such constraints into classical planning algorithms often incurs prohibitive search costs. In this paper, we propose SCoTT, a wireless-aware path planning framework that leverages vision-language models (VLMs) to co-optimize average path gains and trajectory length using wireless heatmap images and ray-tracing data from a digital twin (DT). At the core of our framework is Strategic Chain-of-Thought Tasking (SCoTT), a novel prompting paradigm that decomposes the exhaustive search problem into structured subtasks, each solved via chain-of-thought prompting. To establish strong baselines, we compare classical A* and wireless-aware extensions of it, and derive DP-WA*, an optimal, iterative dynamic programming algorithm that incorporates all path gains and distance metrics from the DT, but at significant computational cost. In extensive experiments, we show that SCoTT achieves path gains within 2% of DP-WA* while consistently generating shorter trajectories. Moreover, SCoTT's intermediate outputs can be used to accelerate DP-WA* by reducing its search space, saving up to 62% in execution time. We validate our framework using four VLMs, demonstrating effectiveness across both large and small models, thus making it applicable to a wide range of compact models at low inference cost. We also show the practical viability of our approach by deploying SCoTT as a ROS node within Gazebo simulations. Finally, we discuss data acquisition pipelines, compute requirements, and deployment considerations for VLMs in 6G-enabled DTs, underscoring the potential of natural language interfaces for wireless-aware navigation in real-world applications.
Authors: Xinyu Wang, Yiyang Peng, Wei Ma
Abstract: Ubiquitous mobile devices have catalyzed the development of vehicle crowd sensing (VCS). In particular, vehicle sensing systems show great potential in the flexible acquisition of spatio-temporal urban data through built-in sensors under diverse sensing scenarios. However, vehicle systems often exhibit biased coverage due to the heterogeneous nature of trip requests and routes. To achieve a high sensing coverage, a critical challenge lies in optimally relocating vehicles to minimize the divergence between vehicle distributions and target sensing distributions. Conventional approaches typically employ a two-stage predict-then-optimize (PTO) process: first predicting real-time vehicle distributions and subsequently generating an optimal relocation strategy based on the predictions. However, this approach can lead to suboptimal decision-making due to the propagation of errors from upstream prediction. To this end, we develop an end-to-end Smart Predict-then-Optimize (SPO) framework by integrating optimization into prediction within the deep learning architecture, and the entire framework is trained by minimizing the task-specific matching divergence rather than the upstream prediction error. Methodologically, we formulate the vehicle relocation problem by quadratic programming (QP) and incorporate a novel unrolling approach based on the Alternating Direction Method of Multipliers (ADMM) within the SPO framework to compute gradients of the QP layer, facilitating backpropagation and gradient-based optimization for end-to-end learning. The effectiveness of the proposed framework is validated by real-world taxi datasets in Hong Kong. Utilizing the alternating differentiation method, the general SPO framework presents a novel concept of addressing decision-making problems with uncertainty, demonstrating significant potential for advancing applications in intelligent transportation systems.
Authors: Dongkwan Kim, Alice Oh
Abstract: Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex interactions within and between subgraphs. To provide a more expressive and efficient alternative, we propose WLKS, a Weisfeiler-Lehman (WL) kernel generalized for subgraphs by applying the WL algorithm on induced $k$-hop neighborhoods. We combine kernels across different $k$-hop levels to capture richer structural information that is not fully encoded in existing models. Our approach can balance expressiveness and efficiency by eliminating the need for neighborhood sampling. In experiments on eight real-world and synthetic benchmarks, WLKS significantly outperforms leading approaches on five datasets while reducing training time, ranging from 0.01x to 0.25x compared to the state-of-the-art.
Authors: Rui Shi, Elvan Ceyhan, Nedret Billor
Abstract: We introduce a new method for clustering based on Cluster Catch Digraphs (CCDs). The new method addresses the limitations of RK-CCDs by employing a new variant of spatial randomness test that employs the nearest neighbor distance (NND) instead of the Ripley's K function used by RK-CCDs. We conduct a comprehensive Monte Carlo analysis to assess the performance of our method, considering factors such as dimensionality, data set size, number of clusters, cluster volumes, and inter-cluster distance. Our method is particularly effective for high-dimensional data sets, comparable to or outperforming KS-CCDs and RK-CCDs that rely on a KS-type statistic or the Ripley's K function. We also evaluate our methods using real and complex data sets, comparing them to well-known clustering methods. Again, our methods exhibit competitive performance, producing high-quality clusters with desirable properties. Keywords: Graph-based clustering, Cluster catch digraphs, High-dimensional data, The nearest neighbor distance, Spatial randomness test
Authors: Alessandro Gambetti, Qiwei Han, Hong Shen, Claudia Soares
Abstract: Explainable Artificial Intelligence (XAI) is essential for the transparency and clinical adoption of Clinical Decision Support Systems (CDSS). However, the real-world effectiveness of existing XAI methods remains limited and is inconsistently evaluated. This study conducts a systematic PRISMA-guided survey of 31 human-centered evaluations (HCE) of XAI applied to CDSS, classifying them by XAI methodology, evaluation design, and adoption barrier. Our findings reveal that most existing studies employ post-hoc, model-agnostic approaches such as SHAP and Grad-CAM, typically assessed through small-scale clinician studies. The results show that over 80% of the studies adopt post-hoc, model-agnostic approaches such as SHAP and Grad-CAM, and that clinician sample sizes remain below 25 participants. The findings indicate that explanations generally improve clinician trust and diagnostic confidence, but frequently increase cognitive load and exhibit misalignment with domain reasoning processes. To bridge these gaps, we propose a stakeholder-centric evaluation framework that integrates socio-technical principles and human-computer interaction to guide the future development of clinically viable and trustworthy XAI-based CDSS.
Authors: Zuqing Li, Junhao Gan, Jianzhong Qi
Abstract: Diffusion-based tabular data synthesis models have yielded promising results. However, when the data dimensionality increases, existing models tend to degenerate and may perform even worse than simpler, non-diffusion-based models. This is because limited training samples in high-dimensional space often hinder generative models from capturing the distribution accurately. To mitigate the insufficient learning signals and to stabilize training under such conditions, we propose CtrTab, a condition-controlled diffusion model that injects perturbed ground-truth samples as auxiliary inputs during training. This design introduces an implicit L2 regularization on the model's sensitivity to the control signal, improving robustness and stability in high-dimensional, low-data scenarios. Experimental results across multiple datasets show that CtrTab outperforms state-of-the-art models, with a performance gap in accuracy over 90% on average.
Authors: Adri\'an Javaloy, Antonio Vergari, Isabel Valera
Abstract: In machine learning (ML), we often need to choose one among hundreds of trained ML models at hand, based on various objectives such as accuracy, robustness, fairness or scalability. However, it is often unclear how to compare, aggregate and, ultimately, trade-off these objectives, making it a time-consuming task that requires expert knowledge, as objectives may be measured in different units and scales. In this work, we investigate how objectives can be automatically normalized and aggregated to systematically help the user navigate their Pareto front. To this end, we make incomparable objectives comparable using their cumulative functions, approximated by their relative rankings. As a result, our proposed approach, COPA, can aggregate them while matching user-specific preferences, allowing practitioners to meaningfully navigate and search for models in the Pareto front. We demonstrate the potential impact of COPA in both model selection and benchmarking tasks across diverse ML areas such as fair ML, domain generalization, AutoML and foundation models, where classical ways to normalize and aggregate objectives fall short.
Authors: Irene Wang, Newsha Ardalani, Mostafa Elhoushi, Daniel Jiang, Samuel Hsia, Ekin Sumbul, Divya Mahajan, Carole-Jean Wu, Bilge Acun
Abstract: Machine learning solutions are rapidly adopted to enable a variety of key use cases, from conversational AI assistants to scientific discovery. This growing adoption is expected to increase the associated lifecycle carbon footprint, including both \emph{operational carbon} from training and inference and \emph{embodied carbon} from AI hardware manufacturing. We introduce \ourframework -- the first carbon-aware co-optimization framework for Transformer-based models and hardware accelerators. By integrating both operational and embodied carbon into early-stage design space exploration, \ourframework enables sustainability-driven model architecture and hardware accelerator co-design that reveals fundamentally different trade-offs than latency- or energy-centric approaches. Evaluated across a range of Transformer models, \ourframework consistently demonstrates the potential to reduce total carbon emissions -- by up to 30\% -- while maintaining accuracy and latency. We further highlight its extensibility through a focused case study on multi-modal models. Our results emphasize the need for holistic optimization methods that prioritize carbon efficiency without compromising model capability and execution time performance. The source code of \ourframework is available at {\small{\href{https://github.com/facebookresearch/CATransformers}{\texttt{https://github.com/facebookresearch/CATransformers}}}}.
URLs: https://github.com/facebookresearch/CATransformers, https://github.com/facebookresearch/CATransformers
Authors: Kazi Ashik Islam, Zakaria Mehrab, Mahantesh Halappanavar, Henning Mortveit, Sridhar Katragadda, Jon Derek Loftis, Stefan Hoops, Madhav Marathe
Abstract: Coastal flooding poses increasing threats to communities worldwide, necessitating accurate and hyper-local inundation forecasting for effective emergency response. However, real-world deployment of forecasting systems is often constrained by sparse sensor networks, where only a limited subset of locations may have sensors due to budget constraints. To approach this challenge, we present DIFF -SPARSE, a masked conditional diffusion model designed for probabilistic coastal inundation forecasting from sparse sensor observations. DIFF -SPARSE primarily utilizes the inundation history of a location and its neighboring locations from a context time window as spatiotemporal context. The fundamental challenge of spatiotemporal prediction based on sparse observations in the context window is addressed by introducing a novel masking strategy during training. Digital elevation data and temporal co-variates are utilized as additional spatial and temporal contexts, respectively. A convolutional neural network and a conditional UNet architecture with cross-attention mechanism are employed to capture the spatiotemporal dynamics in the data. We trained and tested DIFF -SPARSE on coastal inundation data from the Eastern Shore of Virginia and systematically assessed the performance of DIFF -SPARSE across different sparsity levels 0%, 50%, 95% missing observations. Our experiment results show that DIFF -SPARSE achieves upto 62% improvement in terms of two forecasting performance metrics compared to existing methods, at 95% sparsity level. Moreover, our ablation studies reveal that digital elevation data becomes more useful at high sparsity levels compared to temporal co-variates.
Authors: Haoxiang You, Yilang Liu, Ian Abraham
Abstract: In this work, we propose a computationally efficient algorithm for visual policy learning that leverages differentiable simulation and first-order analytical policy gradients. Our approach decouple the rendering process from the computation graph, enabling seamless integration with existing differentiable simulation ecosystems without the need for specialized differentiable rendering software. This decoupling not only reduces computational and memory overhead but also effectively attenuates the policy gradient norm, leading to more stable and smoother optimization. We evaluate our method on standard visual control benchmarks using modern GPU-accelerated simulation. Experiments show that our approach significantly reduces wall-clock training time and consistently outperforms all baseline methods in terms of final returns. Notably, on complex tasks such as humanoid locomotion, our method achieves a $4\times$ improvement in final return, and successfully learns a humanoid running policy within 4 hours on a single GPU.
Authors: Chongyang Tan, Ruoqi Wen, Rongpeng Li, Zhifeng Zhao, Ekram Hossain, Honggang Zhang
Abstract: Federated Learning (FL) enables distributed model training across edge devices in a privacy-friendly manner. However, its efficiency heavily depends on effective device selection and high-dimensional resource allocation in dynamic and heterogeneous wireless environments. Conventional methods demand a confluence of domain-specific expertise, extensive hyperparameter tuning, and/or heavy interaction cost. This paper proposes a Tool-aided Evolutionary Large Language Model (T-ELLM) framework to generate a qualified policy for device selection in a wireless FL environment. Unlike conventional optimization methods, T-ELLM leverages natural language-based scenario prompts to enhance generalization across varying network conditions. The framework decouples the joint optimization problem mathematically, enabling tractable learning of device selection policies while delegating resource allocation to convex optimization tools. To improve adaptability, T-ELLM integrates a sample-efficient, model-based virtual learning environment that captures the relationship between device selection and learning performance, facilitating subsequent group relative policy optimization. This concerted approach reduces reliance on real-world interactions, minimizing communication overhead while maintaining high-fidelity decision-making. Theoretical analysis proves that the discrepancy between virtual and real environments is bounded, ensuring the advantage function learned in the virtual environment maintains a provably small deviation from real-world conditions. Experimental results demonstrate that T-ELLM outperforms benchmark methods in energy efficiency and exhibits robust adaptability to environmental changes.
Authors: Jing Huang, Junyi Tao, Thomas Icard, Diyi Yang, Christopher Potts
Abstract: Interpretability research now offers a variety of techniques for identifying abstract internal mechanisms in neural networks. Can such techniques be used to predict how models will behave on out-of-distribution examples? In this work, we provide a positive answer to this question. Through a diverse set of language modeling tasks--including symbol manipulation, knowledge retrieval, and instruction following--we show that the most robust features for correctness prediction are those that play a distinctive causal role in the model's behavior. Specifically, we propose two methods that leverage causal mechanisms to predict the correctness of model outputs: counterfactual simulation (checking whether key causal variables are realized) and value probing (using the values of those variables to make predictions). Both achieve high AUC-ROC in distribution and outperform methods that rely on causal-agnostic features in out-of-distribution settings, where predicting model behaviors is more crucial. Our work thus highlights a novel and significant application for internal causal analysis of language models.
Authors: Soumya Rani Samineni, Durgesh Kalwar, Karthik Valmeekam, Kaya Stechly, Subbarao Kambhampati
Abstract: Reinforcement learning-based post-training of large language models (LLMs) has recently gained attention, particularly following the release of DeepSeek R1, which applied GRPO for fine-tuning. Amid the growing hype around improved reasoning abilities attributed to RL post-training, we critically examine the formulation and assumptions underlying these methods. We start by highlighting the popular structural assumptions made in modeling LLM training as a Markov Decision Process (MDP), and show how they lead to a degenerate MDP that doesn't quite need the RL/GRPO apparatus. The two critical structural assumptions include (1) making the MDP states be just a concatenation of the actions-with states becoming the context window and the actions becoming the tokens in LLMs and (2) splitting the reward of a state-action trajectory uniformly across the trajectory. Through a comprehensive analysis, we demonstrate that these simplifying assumptions make the approach effectively equivalent to an outcome-driven supervised learning. Our experiments on benchmarks including GSM8K and Countdown using Qwen-2.5 base models show that iterative supervised fine-tuning, incorporating both positive and negative samples, achieves performance comparable to GRPO-based training. We will also argue that the structural assumptions indirectly incentivize the RL to generate longer sequences of intermediate tokens-which in turn feeds into the narrative of "RL generating longer thinking traces." While RL may well be a very useful technique for improving the reasoning abilities of LLMs, our analysis shows that the simplistic structural assumptions made in modeling the underlying MDP render the popular LLM RL frameworks and their interpretations questionable.
Authors: Jiayu Chen, Le Xu, Aravind Venugopal, Jeff Schneider
Abstract: Offline reinforcement learning (RL) offers a powerful paradigm for data-driven control. Compared to model-free approaches, offline model-based RL (MBRL) explicitly learns a world model from a static dataset and uses it as a surrogate simulator, improving data efficiency and enabling potential generalization beyond the dataset support. However, most existing offline MBRL methods follow a two-stage training procedure: first learning a world model by maximizing the likelihood of the observed transitions, then optimizing a policy to maximize its expected return under the learned model. This objective mismatch results in a world model that is not necessarily optimized for effective policy learning. Moreover, we observe that policies learned via offline MBRL often lack robustness during deployment, and small adversarial noise in the environment can lead to significant performance degradation. To address these, we propose a framework that dynamically adapts the world model alongside the policy under a unified learning objective aimed at improving robustness. At the core of our method is a maximin optimization problem, which we solve by innovatively utilizing Stackelberg learning dynamics. We provide theoretical analysis to support our design and introduce computationally efficient implementations. We benchmark our algorithm on twelve noisy D4RL MuJoCo tasks and three stochastic Tokamak Control tasks, demonstrating its state-of-the-art performance.
Authors: Ivan Y. Tyukin, Bogdan Grechuk, Evgeny M. Mirkes, Alexander N. Gorban
Abstract: Concentration of distances in high dimension is an important factor for the development and design of stable and reliable data analysis algorithms. In this paper, we address the fundamental long-standing question about the concentration of distances in high dimension for fractional quasi $p$-norms, $p\in(0,1)$. The topic has been at the centre of various theoretical and empirical controversies. Here we, for the first time, identify conditions when fractional quasi $p$-norms concentrate and when they don't. We show that contrary to some earlier suggestions, for broad classes of distributions, fractional quasi $p$-norms admit exponential and uniform in $p$ concentration bounds. For these distributions, the results effectively rule out previously proposed approaches to alleviate concentration by "optimal" setting the values of $p$ in $(0,1)$. At the same time, we specify conditions and the corresponding families of distributions for which one can still control concentration rates by appropriate choices of $p$. We also show that in an arbitrarily small vicinity of a distribution from a large class of distributions for which uniform concentration occurs, there are uncountably many other distributions featuring anti-concentration properties. Importantly, this behavior enables devising relevant data encoding or representation schemes favouring or discouraging distance concentration. The results shed new light on this long-standing problem and resolve the tension around the topic in both theory and empirical evidence reported in the literature.
Authors: V\'aclav Vor\'a\v{c}ek, Francesco Orabona
Abstract: The construction of confidence intervals for the mean of a bounded random variable is a classical problem in statistics with numerous applications in machine learning and virtually all scientific fields. In particular, obtaining the tightest possible confidence intervals is vital every time the sampling of the random variables is expensive. The current state-of-the-art method to construct confidence intervals is by using betting algorithms. This is a very successful approach for deriving optimal confidence sequences, even matching the rate of law of iterated logarithms. However, in the fixed horizon setting, these approaches are either sub-optimal or based on heuristic solutions with strong empirical performance but without a finite-time guarantee. Hence, no betting-based algorithm guaranteeing the optimal $\mathcal{O}(\sqrt{\frac{\sigma^2\log\frac1\delta}{n}})$ width of the confidence intervals are known. This work bridges this gap. We propose a betting-based algorithm to compute confidence intervals that empirically outperforms the competitors. Our betting strategy uses the optimal strategy in every step (in a certain sense), whereas the standard betting methods choose a constant strategy in advance. Leveraging this fact results in strict improvements even for classical concentration inequalities, such as the ones of Hoeffding or Bernstein. Moreover, we also prove that the width of our confidence intervals is optimal up to an $1+o(1)$ factor diminishing with $n$. The code is available at https://github.com/vvoracek/STaR-bets-confidence-interval.
URLs: https://github.com/vvoracek/STaR-bets-confidence-interval.
Authors: Achleshwar Luthra, Tianbao Yang, Tomer Galanti
Abstract: Despite its empirical success, the theoretical foundations of self-supervised contrastive learning (CL) are not yet fully established. In this work, we address this gap by showing that standard CL objectives implicitly approximate a supervised variant we call the negatives-only supervised contrastive loss (NSCL), which excludes same-class contrasts. We prove that the gap between the CL and NSCL losses vanishes as the number of semantic classes increases, under a bound that is both label-agnostic and architecture-independent. We characterize the geometric structure of the global minimizers of the NSCL loss: the learned representations exhibit augmentation collapse, within-class collapse, and class centers that form a simplex equiangular tight frame. We further introduce a new bound on the few-shot error of linear-probing. This bound depends on two measures of feature variability--within-class dispersion and variation along the line between class centers. We show that directional variation dominates the bound and that the within-class dispersion's effect diminishes as the number of labeled samples increases. These properties enable CL and NSCL-trained representations to support accurate few-shot label recovery using simple linear probes. Finally, we empirically validate our theoretical findings: the gap between CL and NSCL losses decays at a rate of $\mathcal{O}(\frac{1}{\#\text{classes}})$; the two losses are highly correlated; minimizing the CL loss implicitly brings the NSCL loss close to the value achieved by direct minimization; and the proposed few-shot error bound provides a tight estimate of probing performance in practice. The code and project page of the paper are available at [\href{https://github.com/DLFundamentals/understanding-ssl}{code}, \href{https://dlfundamentals.github.io/ssl-is-approximately-sl/}{project page}].
URLs: https://github.com/DLFundamentals/understanding-ssl, https://dlfundamentals.github.io/ssl-is-approximately-sl/
Authors: Liang Zhang, Bingcong Li, Kiran Koshy Thekumparampil, Sewoong Oh, Michael Muehlebach, Niao He
Abstract: Zeroth-order methods are extensively used in machine learning applications where gradients are infeasible or expensive to compute, such as black-box attacks, reinforcement learning, and language model fine-tuning. Existing optimization theory focuses on convergence to an arbitrary stationary point, but less is known on the implicit regularization that provides a fine-grained characterization on which particular solutions are finally reached. We show that zeroth-order optimization with the standard two-point estimator favors solutions with small trace of Hessian, which is widely used in previous work to distinguish between sharp and flat minima. We further provide convergence rates of zeroth-order optimization to approximate flat minima for convex and sufficiently smooth functions, where flat minima are defined as the minimizers that achieve the smallest trace of Hessian among all optimal solutions. Experiments on binary classification tasks with convex losses and language model fine-tuning support our theoretical findings.
Authors: Jake Robertson, Arik Reuter, Siyuan Guo, Noah Hollmann, Frank Hutter, Bernhard Sch\"olkopf
Abstract: Estimation of causal effects is critical to a range of scientific disciplines. Existing methods for this task either require interventional data, knowledge about the ground truth causal graph, or rely on assumptions such as unconfoundedness, restricting their applicability in real-world settings. In the domain of tabular machine learning, Prior-data fitted networks (PFNs) have achieved state-of-the-art predictive performance, having been pre-trained on synthetic data to solve tabular prediction problems via in-context learning. To assess whether this can be transferred to the harder problem of causal effect estimation, we pre-train PFNs on synthetic data drawn from a wide variety of causal structures, including interventions, to predict interventional outcomes given observational data. Through extensive experiments on synthetic case studies, we show that our approach allows for the accurate estimation of causal effects without knowledge of the underlying causal graph. We also perform ablation studies that elucidate Do-PFN's scalability and robustness across datasets with a variety of causal characteristics.
Authors: Hyunseok Seung, Jaewoo Lee, Hyunsuk Ko
Abstract: Second-order optimization methods for training neural networks, such as KFAC, exhibit superior convergence by utilizing curvature information of loss landscape. However, it comes at the expense of high computational burden. In this work, we analyze the two components that constitute the layer-wise Fisher information matrix (FIM) used in KFAC: the Kronecker factors related to activations and pre-activation gradients. Based on empirical observations on their eigenspectra, we propose efficient approximations for them, resulting in a computationally efficient optimization method called MAC. To the best of our knowledge, MAC is the first algorithm to apply the Kronecker factorization to the FIM of attention layers used in transformers and explicitly integrate attention scores into the preconditioning. We also study the convergence property of MAC on nonlinear neural networks and provide two conditions under which it converges to global minima. Our extensive evaluations on various network architectures and datasets show that the proposed method outperforms KFAC and other state-of-the-art methods in terms of accuracy, end-to-end training time, and memory usage.
Authors: Sebastian Sanokowski, Lukas Gruber, Christoph Bartmann, Sepp Hochreiter, Sebastian Lehner
Abstract: Diffusion bridges are a promising class of deep-learning methods for sampling from unnormalized distributions. Recent works show that the Log Variance (LV) loss consistently outperforms the reverse Kullback-Leibler (rKL) loss when using the reparametrization trick to compute rKL-gradients. While the on-policy LV loss yields identical gradients to the rKL loss when combined with the log-derivative trick for diffusion samplers with non-learnable forward processes, this equivalence does not hold for diffusion bridges or when diffusion coefficients are learned. Based on this insight we argue that for diffusion bridges the LV loss does not represent an optimization objective that can be motivated like the rKL loss via the data processing inequality. Our analysis shows that employing the rKL loss with the log-derivative trick (rKL-LD) does not only avoid these conceptual problems but also consistently outperforms the LV loss. Experimental results with different types of diffusion bridges on challenging benchmarks show that samplers trained with the rKL-LD loss achieve better performance. From a practical perspective we find that rKL-LD requires significantly less hyperparameter optimization and yields more stable training behavior.
Authors: J. Thorben Frank, Winfried Ripken, Gregor Lied, Klaus-Robert M\"uller, Oliver T. Unke, Stefan Chmiela
Abstract: Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces novel challenges, such as integrating discrete molecular graph information with continuous 3D geometry, handling Euclidean symmetries, and designing conditioning mechanisms that generalize across molecules of varying sizes and structures. We propose DiTMC, a framework that adapts DiTs to address these challenges through a modular architecture that separates the processing of 3D coordinates from conditioning on atomic connectivity. To this end, we introduce two complementary graph-based conditioning strategies that integrate seamlessly with the DiT architecture. These are combined with different attention mechanisms, including both standard non-equivariant and SO(3)-equivariant formulations, enabling flexible control over the trade-off between between accuracy and computational efficiency. Experiments on standard conformer generation benchmarks (GEOM-QM9, -DRUGS, -XL) demonstrate that DiTMC achieves state-of-the-art precision and physical validity. Our results highlight how architectural choices and symmetry priors affect sample quality and efficiency, suggesting promising directions for large-scale generative modeling of molecular structures. Code is available at https://github.com/ML4MolSim/dit_mc.
Authors: Debamita Ghosh, George K. Atia, Yue Wang
Abstract: We investigate reinforcement learning (RL) in the presence of distributional mismatch between training and deployment, where policies trained in simulators often underperform in practice due to mismatches between training and deployment conditions, and thereby reliable guarantees on real-world performance are essential. Distributionally robust RL addresses this issue by optimizing worst-case performance over an uncertainty set of environments and providing an optimized lower bound on deployment performance. However, existing studies typically assume access to either a generative model or offline datasets with broad coverage of the deployment environment-assumptions that limit their practicality in unknown environments without prior knowledge. In this work, we study a more practical and challenging setting: online distributionally robust RL, where the agent interacts only with a single unknown training environment while seeking policies that are robust with respect to an uncertainty set around this nominal model. We consider general $f$-divergence-based ambiguity sets, including $\chi^2$ and KL divergence balls, and design a computationally efficient algorithm that achieves sublinear regret for the robust control objective under minimal assumptions, without requiring generative or offline data access. Moreover, we establish a corresponding minimax lower bound on the regret of any online algorithm, demonstrating the near-optimality of our method. Experiments across diverse environments with model misspecification show that our approach consistently improves worst-case performance and aligns with the theoretical guarantees.
Authors: Jiaqi Wang, Zhengyu Ma, Xiongri Shen, Chenlin Zhou, Leilei Zhao, Han Zhang, Yi Zhong, Siqi Cai, Zhenxi Song, Zhiguo Zhang
Abstract: Auditory attention detection (AAD) aims to decode listeners' focus in complex auditory environments from electroencephalography (EEG) recordings, which is crucial for developing neuro-steered hearing devices. Despite recent advancements, EEG-based AAD remains hindered by the absence of synergistic frameworks that can fully leverage complementary EEG features under energy-efficiency constraints. We propose S$^2$M-Former, a novel spiking symmetric mixing framework to address this limitation through two key innovations: i) Presenting a spike-driven symmetric architecture composed of parallel spatial and frequency branches with mirrored modular design, leveraging biologically plausible token-channel mixers to enhance complementary learning across branches; ii) Introducing lightweight 1D token sequences to replace conventional 3D operations, reducing parameters by 14.7$\times$. The brain-inspired spiking architecture further reduces power consumption, achieving a 5.8$\times$ energy reduction compared to recent ANN methods, while also surpassing existing SNN baselines in terms of parameter efficiency and performance. Comprehensive experiments on three AAD benchmarks (KUL, DTU and AV-GC-AAD) across three settings (within-trial, cross-trial and cross-subject) demonstrate that S$^2$M-Former achieves comparable state-of-the-art (SOTA) decoding accuracy, making it a promising low-power, high-performance solution for AAD tasks. Code is available at https://github.com/JackieWang9811/S2M-Former.
Authors: Shuyi Zhang, Wei Shi, Sihang Li, Jiayi Liao, Tao Liang, Hengxing Cai, Xiang Wang
Abstract: Large language models (LLMs) have been widely deployed across numerous fields. Reinforcement Learning from Human Feedback (RLHF) leverages reward models (RMs) as proxies for human preferences to align LLM behaviors with human values, making the accuracy, reliability, and interpretability of RMs critical for effective alignment. However, traditional RMs lack interpretability, offer limited insight into the reasoning behind reward assignments, and are inflexible toward user preference shifts. While recent multidimensional RMs aim for improved interpretability, they often fail to provide feature-level attribution and require costly annotations. To overcome these limitations, we introduce the Sparse Autoencoder-enhanced Reward Model (SARM), a novel architecture that integrates a pretrained Sparse Autoencoder (SAE) into a reward model. SARM maps the hidden activations of LLM-based RM into an interpretable, sparse, and monosemantic feature space, from which a scalar head aggregates feature activations to produce transparent and conceptually meaningful reward scores. Empirical evaluations demonstrate that SARM facilitates direct feature-level attribution of reward assignments, allows dynamic adjustment to preference shifts, and achieves superior alignment performance compared to conventional reward models. Our code is available at https://github.com/schrieffer-z/sarm.
Authors: Siyuan Wen, Meng Zhang, Yang Yang, Ningning Ding
Abstract: To protect clients' right to be forgotten in federated learning, federated unlearning aims to remove the data contribution of leaving clients from the global learned model. While current studies mainly focused on enhancing unlearning efficiency and effectiveness, the crucial aspects of efficiency fairness and performance fairness among decentralized clients during unlearning have remained largely unexplored. In this study, we introduce FedShard, the first federated unlearning algorithm designed to concurrently guarantee both efficiency fairness and performance fairness. FedShard adaptively addresses the challenges introduced by dilemmas among convergence, unlearning efficiency, and unlearning fairness. Furthermore, we propose two novel metrics to quantitatively assess the fairness of unlearning algorithms, which we prove to satisfy well-known properties in other existing fairness measurements. Our theoretical analysis and numerical evaluation validate FedShard's fairness in terms of both unlearning performance and efficiency. We demonstrate that FedShard mitigates unfairness risks such as cascaded leaving and poisoning attacks and realizes more balanced unlearning costs among clients. Experimental results indicate that FedShard accelerates the data unlearning process 1.3-6.2 times faster than retraining from scratch and 4.9 times faster than the state-of-the-art exact unlearning methods.
Authors: Sergey Salishev, Ian Akhremchik
Abstract: Quantized neural networks can be viewed as a chain of noisy channels, where rounding in each layer reduces capacity as bit-width shrinks; the floating-point (FP) checkpoint sets the maximum input rate. We track capacity dynamics as the average bit-width decreases and identify resulting quantization bottlenecks by casting fine-tuning as a smooth, constrained optimization problem. Our approach employs a fully differentiable Straight-Through Estimator (STE) with learnable bit-width, noise scale and clamp bounds, and enforces a target bit-width via an exterior-point penalty; mild metric smoothing (via distillation) stabilizes training. Despite its simplicity, the method attains competitive accuracy down to the extreme W1A1 setting while retaining the efficiency of STE.
Authors: Xu Weng, K. V. Ling, Haochen Liu, Bingheng Wang, Kun Cao
Abstract: GNSS localization using everyday mobile devices is challenging in urban environments, as ranging errors caused by the complex propagation of satellite signals and low-quality onboard GNSS hardware are blamed for undermining positioning accuracy. Researchers have pinned their hopes on data-driven methods to regress such ranging errors from raw measurements. However, the grueling annotation of ranging errors impedes their pace. This paper presents a robust end-to-end Neural Ranging Correction (NeRC) framework, where localization-related metrics serve as the task objective for training the neural modules. Instead of seeking impractical ranging error labels, we train the neural network using ground-truth locations that are relatively easy to obtain. This functionality is supported by differentiable moving horizon location estimation (MHE) that handles a horizon of measurements for positioning and backpropagates the gradients for training. Even better, as a blessing of end-to-end learning, we propose a new training paradigm using Euclidean Distance Field (EDF) cost maps, which alleviates the demands on labeled locations. We evaluate the proposed NeRC on public benchmarks and our collected datasets, demonstrating its distinguished improvement in positioning accuracy. We also deploy NeRC on the edge to verify its real-time performance for mobile devices.
Authors: Rafael Bischof, Michal Piovar\v{c}i, Michael A. Kraus, Siddhartha Mishra, Bernd Bickel
Abstract: We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parameterizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that treats the residual of the generated PINN as "delta PDE" and performs another forward pass to generate a corrective PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves a >100x lower $L_2$ loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptile-meta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems. The code and model weights are publicly available at https://github.com/rbischof/hypino.
Authors: Jie Fu, Yuan Hong, Zhili Chen, Wendy Hui Wang
Abstract: Graph Neural Networks (GNNs) have emerged as powerful models for learning from graph-structured data. However, their widespread adoption has raised serious privacy concerns. While prior research has primarily focused on edge-level privacy, a critical yet underexplored threat lies in topology privacy - the confidentiality of the graph's overall structure. In this work, we present a comprehensive study on topology privacy risks in GNNs, revealing their vulnerability to graph-level inference attacks. To this end, we propose a suite of Topology Inference Attacks (TIAs) that can reconstruct the structure of a target training graph using only black-box access to a GNN model. Our findings show that GNNs are highly susceptible to these attacks, and that existing edge-level differential privacy mechanisms are insufficient as they either fail to mitigate the risk or severely compromise model accuracy. To address this challenge, we introduce Private Graph Reconstruction (PGR), a novel defense framework designed to protect topology privacy while maintaining model accuracy. PGR is formulated as a bi-level optimization problem, where a synthetic training graph is iteratively generated using meta-gradients, and the GNN model is concurrently updated based on the evolving graph. Extensive experiments demonstrate that PGR significantly reduces topology leakage with minimal impact on model accuracy. Our code is available at https://github.com/JeffffffFu/PGR.
Authors: Minghui Lu, Yanyong Huang, Minbo Ma, Jinyuan Chang, Dongjie Wang, Xiuwen Yi, Tianrui Li
Abstract: Multi-view unsupervised feature selection (MUFS), which selects informative features from multi-view unlabeled data, has attracted increasing research interest in recent years. Although great efforts have been devoted to MUFS, several challenges remain: 1) existing methods for incomplete multi-view data are limited to handling missing views and are unable to address the more general scenario of missing variables, where some features have missing values in certain views; 2) most methods address incomplete data by first imputing missing values and then performing feature selection, treating these two processes independently and overlooking their interactions; 3) missing data can result in an inaccurate similarity graph, which reduces the performance of feature selection. To solve this dilemma, we propose a novel MUFS method for incomplete multi-view data with missing variables, termed Tensorized Reliable UnSupervised mulTi-view Feature Selection (TRUST-FS). TRUST-FS introduces a new adaptive-weighted CP decomposition that simultaneously performs feature selection, missing-variable imputation, and view weight learning within a unified tensor factorization framework. By utilizing Subjective Logic to acquire trustworthy cross-view similarity information, TRUST-FS facilitates learning a reliable similarity graph, which subsequently guides feature selection and imputation. Comprehensive experimental results demonstrate the effectiveness and superiority of our method over state-of-the-art methods.
Authors: Chen Wang, Yue-Jiao Gong, Zhiguang Cao, Zeyuan Ma
Abstract: To relieve intensive human-expertise required to design optimization algorithms, recent Meta-Black-Box Optimization (MetaBBO) researches leverage generalization strength of meta-learning to train neural network-based algorithm design policies over a predefined training problem set, which automates the adaptability of the low-level optimizers on unseen problem instances. Currently, a common training problem set choice in existing MetaBBOs is well-known benchmark suites CoCo-BBOB. Although such choice facilitates the MetaBBO's development, problem instances in CoCo-BBOB are more or less limited in diversity, raising the risk of overfitting of MetaBBOs, which might further results in poor generalization. In this paper, we propose an instance generation approach, termed as \textbf{LSRE}, which could generate diverse training problem instances for MetaBBOs to learn more generalizable policies. LSRE first trains an autoencoder which maps high-dimensional problem features into a 2-dimensional latent space. Uniform-grid sampling in this latent space leads to hidden representations of problem instances with sufficient diversity. By leveraging a genetic-programming approach to search function formulas with minimal L2-distance to these hidden representations, LSRE reverse engineers a diversified problem set, termed as \textbf{Diverse-BBO}. We validate the effectiveness of LSRE by training various MetaBBOs on Diverse-BBO and observe their generalization performances on either synthetic or realistic scenarios. Extensive experimental results underscore the superiority of Diverse-BBO to existing training set choices in MetaBBOs. Further ablation studies not only demonstrate the effectiveness of design choices in LSRE, but also reveal interesting insights on instance diversity and MetaBBO's generalization.
Authors: Kuiye Ding, Fanda Fan, Chunyi Hou, Zheya Wang, Lei Wang, Zhengxin Yang, Jianfeng Zhan
Abstract: Multivariate time series forecasting is essential in domains such as finance, transportation, climate, and energy. However, existing patch-based methods typically adopt fixed-length segmentation, overlooking the heterogeneity of local temporal dynamics and the decoding heterogeneity of forecasting. Such designs lose details in information-dense regions, introduce redundancy in stable segments, and fail to capture the distinct complexities of short-term and long-term horizons. We propose TimeMosaic, a forecasting framework that aims to address temporal heterogeneity. TimeMosaic employs adaptive patch embedding to dynamically adjust granularity according to local information density, balancing motif reuse with structural clarity while preserving temporal continuity. In addition, it introduces segment-wise decoding that treats each prediction horizon as a related subtask and adapts to horizon-specific difficulty and information requirements, rather than applying a single uniform decoder. Extensive evaluations on benchmark datasets demonstrate that TimeMosaic delivers consistent improvements over existing methods, and our model trained on the large-scale corpus with 321 billion observations achieves performance competitive with state-of-the-art TSFMs.
Authors: Kin G. Olivares, Malcolm Wolff, Tatiana Konstantinova, Shankar Ramasubramanian, Boris Oreshkin, Andrew Gordon Wilson, Andres Potapczynski, Willa Potosnak, Michael W. Mahoney, Mengfei Cao, Dmitry Efimov
Abstract: Cross-frequency transfer learning (CFTL) has emerged as a popular framework for curating large-scale time series datasets to pre-train foundation forecasting models (FFMs). Although CFTL has shown promise, current benchmarking practices fall short of accurately assessing its performance. This shortcoming stems from many factors: an over-reliance on small-scale evaluation datasets; inadequate treatment of sample size when computing summary statistics; reporting of suboptimal statistical models; and failing to account for non-negligible risks of overlap between pre-training and test datasets. To address these limitations, we introduce a unified reimplementation of widely-adopted neural forecasting networks, adapting them for the CFTL setup; we pre-train only on proprietary and synthetic data, being careful to prevent test leakage; and we evaluate on 15 large, diverse public forecast competition datasets. Our empirical analysis reveals that statistical models' accuracy is frequently underreported. Notably, we confirm that statistical models and their ensembles consistently outperform existing FFMs by more than 8.2% in sCRPS, and by more than 20% MASE, across datasets. However, we also find that synthetic dataset pre-training does improve the accuracy of a FFM by 7% percent.
Authors: Tian Lan, Hao Duong Le, Jinbo Li, Wenjun He, Meng Wang, Chenghao Liu, Chen Zhang
Abstract: Time series anomaly detection (TSAD) is a critical task, but developing models that generalize to unseen data in a zero-shot manner remains a major challenge. Prevailing foundation models for TSAD predominantly rely on reconstruction-based objectives, which suffer from a fundamental objective mismatch: they struggle to identify subtle anomalies while often misinterpreting complex normal patterns, leading to high rates of false negatives and positives. To overcome these limitations, we introduce \texttt{TimeRCD}, a novel foundation model for TSAD built upon a new pre-training paradigm: Relative Context Discrepancy (RCD). Instead of learning to reconstruct inputs, \texttt{TimeRCD} is explicitly trained to identify anomalies by detecting significant discrepancies between adjacent time windows. This relational approach, implemented with a standard Transformer architecture, enables the model to capture contextual shifts indicative of anomalies that reconstruction-based methods often miss. To facilitate this paradigm, we develop a large-scale, diverse synthetic corpus with token-level anomaly labels, providing the rich supervisory signal necessary for effective pre-training. Extensive experiments demonstrate that \texttt{TimeRCD} significantly outperforms existing general-purpose and anomaly-specific foundation models in zero-shot TSAD across diverse datasets. Our results validate the superiority of the RCD paradigm and establish a new, effective path toward building robust and generalizable foundation models for time series anomaly detection.
Authors: Seohyeon Cha, Huancheng Chen, Haris Vikalo
Abstract: Federated continual learning (FCL) enables distributed client devices to learn from streaming data across diverse and evolving tasks. A major challenge to continual learning, catastrophic forgetting, is exacerbated in decentralized settings by the data heterogeneity, constrained communication and privacy concerns. We propose Federated gradient Projection-based Continual Learning with Task Identity Prediction (FedProTIP), a novel FCL framework that mitigates forgetting by projecting client updates onto the orthogonal complement of the subspace spanned by previously learned representations of the global model. This projection reduces interference with earlier tasks and preserves performance across the task sequence. To further address the challenge of task-agnostic inference, we incorporate a lightweight mechanism that leverages core bases from prior tasks to predict task identity and dynamically adjust the global model's outputs. Extensive experiments across standard FCL benchmarks demonstrate that FedProTIP significantly outperforms state-of-the-art methods in average accuracy, particularly in settings where task identities are a priori unknown.
Authors: Runyu Zhang, Na Li, Asuman Ozdaglar, Jeff Shamma, Gioele Zardini
Abstract: Risk sensitivity has become a central theme in reinforcement learning (RL), where convex risk measures and robust formulations provide principled ways to model preferences beyond expected return. Recent extensions to multi-agent RL (MARL) have largely emphasized the risk-averse setting, prioritizing robustness to uncertainty. In cooperative MARL, however, such conservatism often leads to suboptimal equilibria, and a parallel line of work has shown that optimism can promote cooperation. Existing optimistic methods, though effective in practice, are typically heuristic and lack theoretical grounding. Building on the dual representation for convex risk measures, we propose a principled framework that interprets risk-seeking objectives as optimism. We introduce optimistic value functions, which formalize optimism as divergence-penalized risk-seeking evaluations. Building on this foundation, we derive a policy-gradient theorem for optimistic value functions, including explicit formulas for the entropic risk/KL-penalty setting, and develop decentralized optimistic actor-critic algorithms that implement these updates. Empirical results on cooperative benchmarks demonstrate that risk-seeking optimism consistently improves coordination over both risk-neutral baselines and heuristic optimistic methods. Our framework thus unifies risk-sensitive learning and optimism, offering a theoretically grounded and practically effective approach to cooperation in MARL.
Authors: Tian Lan, Hao Duong Le, Jinbo Li, Wenjun He, Meng Wang, Chenghao Liu, Chen Zhang
Abstract: Time-series anomaly detection (TSAD) increasingly demands explanations that articulate not only if an anomaly occurred, but also what pattern it exhibits and why it is anomalous. Leveraging the impressive explanatory capabilities of Large Language Models (LLMs), recent works have attempted to treat time series as text for explainable TSAD. However, this approach faces a fundamental challenge: LLMs operate on discrete tokens and struggle to directly process long, continuous signals. Consequently, naive time-to-text serialization suffers from a lack of contextual grounding and representation alignment between the two modalities. To address this gap, we introduce AXIS, a framework that conditions a frozen LLM for nuanced time-series understanding. Instead of direct serialization, AXIS enriches the LLM's input with three complementary hints derived from the series: (i) a symbolic numeric hint for numerical grounding, (ii) a context-integrated, step-aligned hint distilled from a pretrained time-series encoder to capture fine-grained dynamics, and (iii) a task-prior hint that encodes global anomaly characteristics. Furthermore, to facilitate robust evaluation of explainability, we introduce a new benchmark featuring multi-format questions and rationales that supervise contextual grounding and pattern-level semantics. Extensive experiments, including both LLM-based and human evaluations, demonstrate that AXIS yields explanations of significantly higher quality and achieves competitive detection accuracy compared to general-purpose LLMs, specialized time-series LLMs, and time-series Vision Language Models.
Authors: Subhodip Panda, MS Varun, Shreyans Jain, Sarthak Kumar Maharana, Prathosh A. P
Abstract: For a responsible and safe deployment of diffusion models in various domains, regulating the generated outputs from these models is desirable because such models could generate undesired, violent, and obscene outputs. To tackle this problem, recent works use machine unlearning methodology to forget training data points containing these undesired features from pre-trained generative models. However, these methods proved to be ineffective in data-constrained settings where the whole training dataset is inaccessible. Thus, the principal objective of this work is to propose a machine unlearning methodology that can prevent the generation of outputs containing undesired features from a pre-trained diffusion model in such a data-constrained setting. Our proposed method, termed as Variational Diffusion Unlearning (VDU), is a computationally efficient method that only requires access to a subset of training data containing undesired features. Our approach is inspired by the variational inference framework with the objective of minimizing a loss function consisting of two terms: plasticity inducer and stability regularizer. Plasticity inducer reduces the log-likelihood of the undesired training data points, while the stability regularizer, essential for preventing loss of image generation quality, regularizes the model in parameter space. We validate the effectiveness of our method through comprehensive experiments for both class unlearning and feature unlearning. For class unlearning, we unlearn some user-identified classes from MNIST, CIFAR-10, and tinyImageNet datasets from a pre-trained unconditional denoising diffusion probabilistic model (DDPM). Similarly, for feature unlearning, we unlearn the generation of certain high-level features from a pre-trained Stable Diffusion model
Authors: Jigang Fan, Xiaoran Jiao, Shengdong Lin, Zhanming Liang, Weian Mao, Chenchen Jing, Hao Chen, Chunhua Shen
Abstract: Predicting the fitness impact of mutations is central to protein engineering but constrained by limited assays relative to the size of sequence space. Protein language models (pLMs) trained with masked language modeling (MLM) exhibit strong zero-shot fitness prediction; we provide a unifying view by interpreting natural evolution as implicit reward maximization and MLM as inverse reinforcement learning (IRL), in which extant sequences act as expert demonstrations and pLM log-odds serve as fitness estimates. Building on this perspective, we introduce EvoIF, a lightweight model that integrates two complementary sources of evolutionary signal: (i) within-family profiles from retrieved homologs and (ii) cross-family structural-evolutionary constraints distilled from inverse folding logits. EvoIF fuses sequence-structure representations with these profiles via a compact transition block, yielding calibrated probabilities for log-odds scoring. On ProteinGym (217 mutational assays; >2.5M mutants), EvoIF and its MSA-enabled variant achieve state-of-the-art or competitive performance while using only 0.15% of the training data and fewer parameters than recent large models. Ablations confirm that within-family and cross-family profiles are complementary, improving robustness across function types, MSA depths, taxa, and mutation depths. The codes will be made publicly available at https://github.com/aim-uofa/EvoIF.
Authors: Diego Garc\'ia-P\'erez, Emilio Parrado-Hern\'andez, John Shawe-Taylor
Abstract: This paper presents four theoretical contributions that improve the usability of risk certificates for neural networks based on PAC-Bayes bounds. First, two bounds on the KL divergence between Bernoulli distributions enable the derivation of the tightest explicit bounds on the true risk of classifiers across different ranges of empirical risk. The paper next focuses on the formalization of an efficient methodology based on implicit differentiation that enables the introduction of the optimization of PAC-Bayesian risk certificates inside the loss/objective function used to fit the network/model. The last contribution is a method to optimize bounds on non-differentiable objectives such as the 0-1 loss. These theoretical contributions are complemented with an empirical evaluation on the MNIST and CIFAR-10 datasets. In fact, this paper presents the first non-vacuous generalization bounds on CIFAR-10 for neural networks. Code to reproduce all experiments is available at github.com/Diegogpcm/pacbayesgradients.
Authors: Xin Guo, Zijiu Lyu
Abstract: This paper studies policy transfer, one of the well-known transfer learning techniques adopted in large language models, for two classes of continuous-time reinforcement learning problems. In the first class of continuous-time linear-quadratic systems with Shannon's entropy regularization (a.k.a. LQRs), we fully exploit the Gaussian structure of their optimal policy and the stability of their associated Riccati equations. In the second class where the system has possibly non-linear and bounded dynamics, the key technical component is the stability of diffusion SDEs which is established by invoking the rough path theory. Our work provides the first theoretical proof of policy transfer for continuous-time RL: an optimal policy learned for one RL problem can be used to initialize the search for a near-optimal policy in a closely related RL problem, while maintaining the convergence rate of the original algorithm. To illustrate the benefit of policy transfer for RL, we propose a novel policy learning algorithm for continuous-time LQRs, which achieves global linear convergence and local super-linear convergence. As a byproduct of our analysis, we derive the stability of a concrete class of continuous-time score-based diffusion models via their connection with LQRs.
Authors: Joongkyu Lee, Seouh-won Yi, Min-hwan Oh
Abstract: We study online preference-based reinforcement learning (PbRL) with the goal of improving sample efficiency. While a growing body of theoretical work has emerged-motivated by PbRL's recent empirical success, particularly in aligning large language models (LLMs)-most existing studies focus only on pairwise comparisons. A few recent works (Zhu et al., 2023, Mukherjee et al., 2024, Thekumparampil et al., 2024) have explored using multiple comparisons and ranking feedback, but their performance guarantees fail to improve-and can even deteriorate-as the feedback length increases, despite the richer information available. To address this gap, we adopt the Plackett-Luce (PL) model for ranking feedback over action subsets and propose M-AUPO, an algorithm that selects multiple actions by maximizing the average uncertainty within the offered subset. We prove that M-AUPO achieves a suboptimality gap of $\tilde{O}\left( \frac{d}{T} \sqrt{ \sum_{t=1}^T \frac{1}{|S_t|}} \right)$, where $T$ is the total number of rounds, $d$ is the feature dimension, and $|S_t|$ is the size of the subset at round $t$. This result shows that larger subsets directly lead to improved performance and, notably, the bound avoids the exponential dependence on the unknown parameter's norm, which was a fundamental limitation in most previous works. Moreover, we establish a near-matching lower bound of $\Omega \left( \frac{d}{K \sqrt{T}} \right)$, where $K$ is the maximum subset size. To the best of our knowledge, this is the first theoretical result in PbRL with ranking feedback that explicitly shows improved sample efficiency as a function of the subset size.
Authors: Whie Jung, Dong Hoon Lee, Seunghoon Hong
Abstract: Recent disentangled representation learning (DRL) methods heavily rely on factor specific strategies-either learning objectives for attributes or model architectures for objects-to embed inductive biases. Such divergent approaches result in significant overhead when novel factors of variation do not align with prior assumptions, such as statistical independence or spatial exclusivity, or when multiple factors coexist, as practitioners must redesign architectures or objectives. To address this, we propose a compositional bias, a modular inductive bias decoupled from both objectives and architectures. Our key insight is that different factors obey distinct recombination rules in the data distribution: global attributes are mutually exclusive, e.g., a face has one nose, while objects share a common support (any subset of objects can co-exist). We therefore randomly remix latents according to factor-specific rules, i.e., a mixing strategy, and force the encoder to discover whichever factor structure the mixing strategy reflects through two complementary objectives: (i) a prior loss that ensures every remix decodes into a realistic image, and (ii) the compositional consistency loss introduced by Wiedemer et al. (arXiv:2310.05327), which aligns each composite image with its corresponding composite latent. Under this general framework, simply adjusting the mixing strategy enables disentanglement of attributes, objects, and even both, without modifying the objectives or architectures. Extensive experiments demonstrate that our method shows competitive performance in both attribute and object disentanglement, and uniquely achieves joint disentanglement of global style and objects. Code is available at https://github.com/whieya/Compositional-DRL.
Authors: Nikita Karagodin, Shu Ge, Yury Polyanskiy, Philippe Rigollet
Abstract: We study the effect of normalization schemes on token representations in deep transformers. Modeling their evolution as interacting particles on the sphere, we show that normalization acts as a form of speed regulation. This perspective enables a unified analysis of several schemes -- including Post-LN, Pre-LN, Mix-LN, Peri-LN, nGPT -- revealing how they influence clustering dynamics and representation collapse. Our framework clarifies how different schemes shape token representations across layers and provides a principled basis for comparing them, identifying Peri-LN as a particularly effective choice.
Authors: Youssef Elmir, Yassine Himeur, Abbes Amira
Abstract: This study presents a federated learning (FL) framework for privacy-preserving electrocardiogram (ECG) classification in Internet of Things (IoT) healthcare environments. By transforming 1D ECG signals into 2D Gramian Angular Field (GAF) images, the proposed approach enables efficient feature extraction through Convolutional Neural Networks (CNNs) while ensuring that sensitive medical data remain local to each device. This work is among the first to experimentally validate GAF-based federated ECG classification across heterogeneous IoT devices, quantifying both performance and communication efficiency. To evaluate feasibility in realistic IoT settings, we deployed the framework across a server, a laptop, and a resource-constrained Raspberry Pi 4, reflecting edge-cloud integration in IoT ecosystems. Experimental results demonstrate that the FL-GAF model achieves a high classification accuracy of 95.18% in a multi-client setup, significantly outperforming a single-client baseline in both accuracy and training time. Despite the added computational complexity of GAF transformations, the framework maintains efficient resource utilization and communication overhead. These findings highlight the potential of lightweight, privacy-preserving AI for IoT-based healthcare monitoring, supporting scalable and secure edge deployments in smart health systems.
Authors: Shaolong Wu, James Blume, Geshi Yeung
Abstract: Algorithmic fairness has grown rapidly as a research area, yet key concepts remain unsettled, especially in criminal justice. We review group, individual, and process fairness and map the conditions under which they conflict. We then develop a simple modification to standard group fairness. Rather than exact parity across protected groups, we minimize a weighted error loss while keeping differences in false negative rates within a small tolerance. This makes solutions easier to find, can raise predictive accuracy, and surfaces the ethical choice of error costs. We situate this proposal within three classes of critique: biased and incomplete data, latent affirmative action, and the explosion of subgroup constraints. Finally, we offer a practical framework for deployment in public decision systems built on three pillars: need-based decisions, Transparency and accountability, and narrowly tailored definitions and solutions. Together, these elements link technical design to legitimacy and provide actionable guidance for agencies that use risk assessment and related tools.
Authors: Matthew D. Kvalheim, Eduardo D. Sontag
Abstract: Given a "data manifold" $M\subset \mathbb{R}^n$ and "latent space" $\mathbb{R}^\ell$, an autoencoder is a pair of continuous maps consisting of an "encoder" $E\colon \mathbb{R}^n\to \mathbb{R}^\ell$ and "decoder" $D\colon \mathbb{R}^\ell\to \mathbb{R}^n$ such that the "round trip" map $D\circ E$ is as close as possible to the identity map $\mbox{id}_M$ on $M$. We present various topological limitations and capabilites inherent to the search for an autoencoder, and describe capabilities for autoencoding dynamical systems having $M$ as an invariant manifold.
Authors: Ant\^onio Cat\~ao, Melvin Poveda, Leonardo Voltarelli, Paulo Orenstein
Abstract: Accurate short-term precipitation forecasts predominantly rely on dense weather-radar networks, limiting operational value in places most exposed to climate extremes. We present TUPANN (Transferable and Universal Physics-Aligned Nowcasting Network), a satellite-only model trained on GOES-16 RRQPE. Unlike most deep learning models for nowcasting, TUPANN decomposes the forecast into physically meaningful components: a variational encoder-decoder infers motion and intensity fields from recent imagery under optical-flow supervision, a lead-time-conditioned MaxViT evolves the latent state, and a differentiable advection operator reconstructs future frames. We evaluate TUPANN on both GOES-16 and IMERG data, in up to four distinct climates (Rio de Janeiro, Manaus, Miami, La Paz) at 10-180min lead times using the CSI and HSS metrics over 4-64 mm/h thresholds. Comparisons against optical-flow, deep learning and hybrid baselines show that TUPANN achieves the best or second-best skill in most settings, with pronounced gains at higher thresholds. Training on multiple cities further improves performance, while cross-city experiments show modest degradation and occasional gains for rare heavy-rain regimes. The model produces smooth, interpretable motion fields aligned with numerical optical flow and runs in near real time due to the low latency of GOES-16. These results indicate that physically aligned learning can provide nowcasts that are skillful, transferable and global.
Authors: Wenjie Hu, Sidun Liu, Peng Qiao, Zhenglun Sun, Yong Dou
Abstract: Recent advances in Transformer-based Neural Operators have enabled significant progress in data-driven solvers for Partial Differential Equations (PDEs). Most current research has focused on reducing the quadratic complexity of attention to address the resulting low training and inference efficiency. Among these works, Transolver stands out as a representative method that introduces Physics-Attention to reduce computational costs. Physics-Attention projects grid points into slices for slice attention, then maps them back through deslicing. However, we observe that Physics-Attention can be reformulated as a special case of linear attention, and that the slice attention may even hurt the model performance. Based on these observations, we argue that its effectiveness primarily arises from the slice and deslice operations rather than interactions between slices. Building on this insight, we propose a two-step transformation to redesign Physics-Attention into a canonical linear attention, which we call Linear Attention Neural Operator (LinearNO). Our method achieves state-of-the-art performance on six standard PDE benchmarks, while reducing the number of parameters by an average of 40.0% and computational cost by 36.2%. Additionally, it delivers superior performance on two challenging, industrial-level datasets: AirfRANS and Shape-Net Car.
Authors: Xin He, Yili Wang, Yiwei Dai, Xin Wang
Abstract: Over-smoothing remains a fundamental challenge in deep Graph Neural Networks (GNNs), where repeated message passing causes node representations to become indistinguishable. While existing solutions, such as residual connections and skip layers, alleviate this issue to some extent, they fail to explicitly model how node representations evolve in a node-specific and progressive manner across layers. Moreover, these methods do not take global information into account, which is also crucial for mitigating the over-smoothing problem. To address the aforementioned issues, in this work, we propose a Dual Mamba-enhanced Graph Convolutional Network (DMbaGCN), which is a novel framework that integrates Mamba into GNNs to address over-smoothing from both local and global perspectives. DMbaGCN consists of two modules: the Local State-Evolution Mamba (LSEMba) for local neighborhood aggregation and utilizing Mamba's selective state space modeling to capture node-specific representation dynamics across layers, and the Global Context-Aware Mamba (GCAMba) that leverages Mamba's global attention capabilities to incorporate global context for each node. By combining these components, DMbaGCN enhances node discriminability in deep GNNs, thereby mitigating over-smoothing. Extensive experiments on multiple benchmarks demonstrate the effectiveness and efficiency of our method.
Authors: Andrea Testa, S{\o}ren Hauberg, Tamim Asfour, Leonel Rozo
Abstract: The Schr\"odinger Bridge provides a principled framework for modeling stochastic processes between distributions; however, existing methods are limited by energy-conservation assumptions, which constrains the bridge's shape preventing it from model varying-energy phenomena. To overcome this, we introduce the non-conservative generalized Schr\"odinger bridge (NCGSB), a novel, energy-varying reformulation based on contact Hamiltonian mechanics. By allowing energy to change over time, the NCGSB provides a broader class of real-world stochastic processes, capturing richer and more faithful intermediate dynamics. By parameterizing the Wasserstein manifold, we lift the bridge problem to a tractable geodesic computation in a finite-dimensional space. Unlike computationally expensive iterative solutions, our contact Wasserstein geodesic (CWG) is naturally implemented via a ResNet architecture and relies on a non-iterative solver with near-linear complexity. Furthermore, CWG supports guided generation by modulating a task-specific distance metric. We validate our framework on tasks including manifold navigation, molecular dynamics predictions, and image generation, demonstrating its practical benefits and versatility.
Authors: Anand Krishnakumar, Vengadesh Ravikumaran
Abstract: Traditional methods for identifying structurally similar spreadsheets fail to capture the spatial layouts and type patterns defining templates. To quantify spreadsheet similarity, we introduce a hybrid distance metric that combines semantic embeddings, data type information, and spatial positioning. In order to calculate spreadsheet similarity, our method converts spreadsheets into cell-level embeddings and then uses aggregation techniques like Chamfer and Hausdorff distances. Experiments across template families demonstrate superior unsupervised clustering performance compared to the graph-based Mondrian baseline, achieving perfect template reconstruction (Adjusted Rand Index of 1.00 versus 0.90) on the FUSTE dataset. Our approach facilitates large-scale automated template discovery, which in turn enables downstream applications such as retrieval-augmented generation over tabular collections, model training, and bulk data cleaning.
Authors: Fabian Kresse, Christoph H. Lampert
Abstract: Deploying continuous-control reinforcement learning policies on embedded hardware requires meeting tight latency and power budgets. Small FPGAs can deliver these, but only if costly floating point pipelines are avoided. We study quantization-aware training (QAT) of policies for integer inference and we present a learning-to-hardware pipeline that automatically selects low-bit policies and synthesizes them to an Artix-7 FPGA. Across five MuJoCo tasks, we obtain policy networks that are competitive with full precision (FP32) policies but require as few as 3 or even only 2 bits per weight, and per internal activation value, as long as input precision is chosen carefully. On the target hardware, the selected policies achieve inference latencies on the order of microseconds and consume microjoules per action, favorably comparing to a quantized reference. Last, we observe that the quantized policies exhibit increased input noise robustness compared to the floating-point baseline.
Authors: Linna Wang, Zhixuan You, Qihui Zhang, Jiunan Wen, Ji Shi, Yimin Chen, Yusen Wang, Fanqi Ding, Ziliang Feng, Li Lu
Abstract: Large Language Models (LLMs) and causal learning each hold strong potential for clinical decision making (CDM). However, their synergy remains poorly understood, largely due to the lack of systematic benchmarks evaluating their integration in clinical risk prediction. In real-world healthcare, identifying features with causal influence on outcomes is crucial for actionable and trustworthy predictions. While recent work highlights LLMs' emerging causal reasoning abilities, there lacks comprehensive benchmarks to assess their causal learning and performance informed by causal features in clinical risk prediction. To address this, we introduce REACT-LLM, a benchmark designed to evaluate whether combining LLMs with causal features can enhance clinical prognostic performance and potentially outperform traditional machine learning (ML) methods. Unlike existing LLM-clinical benchmarks that often focus on a limited set of outcomes, REACT-LLM evaluates 7 clinical outcomes across 2 real-world datasets, comparing 15 prominent LLMs, 6 traditional ML models, and 3 causal discovery (CD) algorithms. Our findings indicate that while LLMs perform reasonably in clinical prognostics, they have not yet outperformed traditional ML models. Integrating causal features derived from CD algorithms into LLMs offers limited performance gains, primarily due to the strict assumptions of many CD methods, which are often violated in complex clinical data. While the direct integration yields limited improvement, our benchmark reveals a more promising synergy.
Authors: Hua Ye, Siyuan Chen, Haoliang Zhang, Weihao Luo, Yanbin Li, Xuan Zhang
Abstract: Large language models (LLMs) demonstrate impressive generalization abilities, yet adapting them effectively across multiple heterogeneous domains remains challenging due to inter-domain interference. To overcome this challenge, we propose a partition-based multi-stage fine-tuning framework designed to exploit inter-domain synergies while minimizing negative transfer. Our approach strategically partitions domains into subsets (stages) by balancing domain discrepancy, synergy, and model capacity constraints. We theoretically analyze the proposed framework and derive novel generalization bounds that justify our partitioning strategy. Extensive empirical evaluations on various language understanding tasks show that our method consistently outperforms state-of-the-art baselines.
Authors: Yuan Deng, Jon Schneider, Balusubramanian Sivan
Abstract: How should a player who repeatedly plays a game against a no-regret learner strategize to maximize his utility? We study this question and show that under some mild assumptions, the player can always guarantee himself a utility of at least what he would get in a Stackelberg equilibrium of the game. When the no-regret learner has only two actions, we show that the player cannot get any higher utility than the Stackelberg equilibrium utility. But when the no-regret learner has more than two actions and plays a mean-based no-regret strategy, we show that the player can get strictly higher than the Stackelberg equilibrium utility. We provide a characterization of the optimal game-play for the player against a mean-based no-regret learner as a solution to a control problem. When the no-regret learner's strategy also guarantees him a no-swap regret, we show that the player cannot get anything higher than a Stackelberg equilibrium utility.
Authors: Ankush Khandelwal, Shaoming Xu, Xiang Li, Xiaowei Jia, Michael Stienbach, Christopher Duffy, John Nieber, Vipin Kumar
Abstract: Streamflow prediction is one of the key challenges in the field of hydrology due to the complex interplay between multiple non-linear physical mechanisms behind streamflow generation. While physics based models are rooted in rich understanding of the physical processes, a significant performance gap still remains which can be potentially addressed by leveraging the recent advances in machine learning. The goal of this work is to incorporate our understanding of hydrological processes and constraints into machine learning algorithms to improve the predictive performance. Traditional ML models for this problem predict streamflow using weather drivers as input. However there are multiple intermediate processes that interact to generate streamflow from weather drivers. The key idea of the approach is to explicitly model these intermediate processes that connect weather drivers to streamflow using a multi-task learning framework. While our proposed approach requires data about intermediate processes during training, only weather drivers will be needed to predict the streamflow during testing phase. We assess the efficacy of the approach on a simulation dataset generated by the SWAT model for a catchment located in the South Branch of the Root River Watershed in southeast Minnesota. While the focus of this paper is on improving the performance given data from a single catchment, methodology presented here is applicable to ML-based approaches that use data from multiple catchments to improve performance of each individual catchment.
Authors: Viktor Nilsson, Pierre Nyquist
Abstract: Finding equilibrium points in continuous minmax games has become a key problem within machine learning, in part due to its connection to the training of generative adversarial networks and reinforcement learning. Because of existence and robustness issues, recent developments have shifted from pure equilibria to focusing on mixed equilibrium points. In this work we consider a method for finding mixed equilibria in two-layer zero-sum games based on entropic regularisation, where the two competing strategies are represented by two sets of interacting particles. We show that the sequence of empirical measures of the particle system satisfies a large deviation principle as the number of particles grows to infinity, and how this implies convergence of the empirical measure and the associated Nikaid\^o-Isoda error, complementing existing law of large numbers results.
Authors: Hojin Kim, Varun Shankar, Venkatasubramanian Viswanathan, Romit Maulik
Abstract: Differentiable physical simulators are proving to be valuable tools for developing data-driven models for computational fluid dynamics (CFD). In particular, these simulators enable end-to-end training of machine learning (ML) models embedded within CFD solvers. This paradigm enables novel algorithms which combine the generalization power and low cost of physics-based simulations with the flexibility and automation of deep learning methods. In this study, we introduce a framework for embedding deep learning models within a finite element solver for incompressible Navier-Stokes equations, specifically applying this approach to learn a subgrid-scale (SGS) closure with a graph neural network (GNN). We first demonstrate the feasibility of the approach on flow over a two-dimensional backward-facing step, using it as a proof of concept to show that solver-consistent training produces stable and physically meaningful closures. Then, we extend this to a turbulent flow over a three-dimensional backward-facing step. In this setting, the GNN-based closure not only attains low prediction errors, but also recovers key turbulence statistics and preserves multiscale turbulent structures. We further demonstrate that the closure can be identified in data-limited learning scenarios as well. Overall, the proposed end-to-end learning paradigm offers a viable pathway toward physically consistent and generalizable data-driven SGS modeling on complex and unstructured domains.
Authors: Neda Zamanitajeddin, Mostafa Jahanifar, Kesi Xu, Fouzia Siraj, Nasir Rajpoot
Abstract: Deep learning models have shown immense promise in computational pathology (CPath) tasks, but their performance often suffers when applied to unseen data due to domain shifts. Addressing this requires domain generalization (DG) algorithms. However, a systematic evaluation of DG algorithms in the CPath context is lacking. This study aims to benchmark the effectiveness of 30 DG algorithms on 3 CPath tasks of varying difficulty through 7,560 cross-validation runs. We evaluate these algorithms using a unified and robust platform, incorporating modality-specific techniques and recent advances like pretrained foundation models. Our extensive cross-validation experiments provide insights into the relative performance of various DG strategies. We observe that self-supervised learning and stain augmentation consistently outperform other methods, highlighting the potential of pretrained models and data augmentation. Furthermore, we introduce a new pan-cancer tumor detection dataset (HISTOPANTUM) as a benchmark for future research. This study offers valuable guidance to researchers in selecting appropriate DG approaches for CPath tasks.
Authors: Xiaomin Li, Mingye Gao, Zhiwei Zhang, Chang Yue, Hong Hu
Abstract: High-quality training data is critical to the performance of large language models (LLMs). Recent work has explored using LLMs to rate and select data based on a small set of human-designed criteria (rules), but these approaches often rely heavily on heuristics, lack principled metrics for rule evaluation, and generalize poorly to new tasks. We propose a novel rule-based data selection framework that introduces a metric based on the orthogonality of rule score vectors to evaluate and select complementary rules. Our automated pipeline first uses LLMs to generate diverse rules covering multiple aspects of data quality, then rates samples according to these rules and applies the determinantal point process (DPP) to select the most independent rules. These rules are then used to score the full dataset, and high-scoring samples are selected for downstream tasks such as LLM fine-tuning. We evaluate our framework in two experiment setups: (1) alignment with ground-truth ratings and (2) performance of LLMs fine-tuned on the selected data. Experiments across IMDB, Medical, Math, and Code domains demonstrate that our DPP-based rule selection consistently improves both rating accuracy and downstream model performance over strong baselines.
Authors: Dhrumil Patel, Mark M. Wilde
Abstract: Thermal states play a fundamental role in various areas of physics, and they are becoming increasingly important in quantum information science, with applications related to semi-definite programming, quantum Boltzmann machine learning, Hamiltonian learning, and the related task of estimating the parameters of a Hamiltonian. Here we establish formulas underlying the basic geometry of parameterized thermal states, and we delineate quantum algorithms for estimating the values of these formulas. More specifically, we establish formulas for the Fisher--Bures and Kubo--Mori information matrices of parameterized thermal states, and our quantum algorithms for estimating their matrix elements involve a combination of classical sampling, Hamiltonian simulation, and the Hadamard test. These results have applications in developing a natural gradient descent algorithm for quantum Boltzmann machine learning, which takes into account the geometry of thermal states, and in establishing fundamental limitations on the ability to estimate the parameters of a Hamiltonian, when given access to thermal-state samples. For the latter task, and for the special case of estimating a single parameter, we sketch an algorithm that realizes a measurement that is asymptotically optimal for the estimation task. We finally stress that the natural gradient descent algorithm developed here can be used for any machine learning problem that employs the quantum Boltzmann machine ansatz.
Authors: Rui Shi, Elvan Ceyhan, Nedret Billor
Abstract: This paper introduces two novel, outlyingness scores (OSs) based on Cluster Catch Digraphs (CCDs): Outbound Outlyingness Score (OOS) and Inbound Outlyingness Score (IOS). These scores enhance the interpretability of outlier detection results. Both OSs employ graph-, density-, and distribution-based techniques, tailored to high-dimensional data with varying cluster shapes and intensities. OOS evaluates the outlyingness of a point relative to its nearest neighbors, while IOS assesses the total ``influence" a point receives from others within its cluster. Both OSs effectively identify global and local outliers, invariant to data collinearity. Moreover, IOS is robust to the masking problems. With extensive Monte Carlo simulations, we compare the performance of both OSs with CCD-based, traditional, and state-of-the-art outlier detection methods. Both OSs exhibit substantial overall improvements over the CCD-based methods in both artificial and real-world data sets, particularly with IOS, which delivers the best overall performance among all the methods, especially in high-dimensional settings. Keywords: Outlier detection, Outlyingness score, Graph-based clustering, Cluster catch digraphs, High-dimensional data.
Authors: Alexander Atanasov, Blake Bordelon, Jacob A. Zavatone-Veth, Courtney Paquette, Cengiz Pehlevan
Abstract: We derive a novel deterministic equivalence for the two-point function of a random matrix resolvent. Using this result, we give a unified derivation of the performance of a wide variety of high-dimensional linear models trained with stochastic gradient descent. This includes high-dimensional linear regression, kernel regression, and linear random feature models. Our results include previously known asymptotics as well as novel ones.
Authors: Miroslav \v{S}trupl, Oleg Szehr, Francesco Faccio, Dylan R. Ashley, Rupesh Kumar Srivastava, J\"urgen Schmidhuber
Abstract: This article provides a rigorous analysis of convergence and stability of Episodic Upside-Down Reinforcement Learning, Goal-Conditioned Supervised Learning and Online Decision Transformers. These algorithms performed competitively across various benchmarks, from games to robotic tasks, but their theoretical understanding is limited to specific environmental conditions. This work initiates a theoretical foundation for algorithms that build on the broad paradigm of approaching reinforcement learning through supervised learning or sequence modeling. At the core of this investigation lies the analysis of conditions on the underlying environment, under which the algorithms can identify optimal solutions. We also assess whether emerging solutions remain stable in situations where the environment is subject to tiny levels of noise. Specifically, we study the continuity and asymptotic convergence of command-conditioned policies, values and the goal-reaching objective depending on the transition kernel of the underlying Markov Decision Process. We demonstrate that near-optimal behavior is achieved if the transition kernel is located in a sufficiently small neighborhood of a deterministic kernel. The mentioned quantities are continuous (with respect to a specific topology) at deterministic kernels, both asymptotically and after a finite number of learning cycles. The developed methods allow us to present the first explicit estimates on the convergence and stability of policies and values in terms of the underlying transition kernels. On the theoretical side we introduce a number of new concepts to reinforcement learning, like working in segment spaces, studying continuity in quotient topologies and the application of the fixed-point theory of dynamical systems. The theoretical study is accompanied by a detailed investigation of example environments and numerical experiments.
Authors: Xiaoyu Zheng, Sijung Hu, Vincent Dwyer, Mahsa Derakhshani, Laura Barrett
Abstract: Opto-physiological monitoring including photoplethysmography (PPG) provides non-invasive cardiac and respiratory measurements, yet motion artefacts (MAs) during physical activity degrade its signal quality and downstream estimation concurrently. An attention-mechanism-based generative adversarial network (AM-GAN) was proposed to model motion artefacts and mitigate their impact on raw PPG signals. The AM-GAN learns how to transform motion-affected PPG into artefact-reduced waveforms to align with triaxial acceleration signals corresponding to artefact components gained from a triaxial accelerometer. The AM-GAN has been validated across four experimental protocols with 43 participants performing activities from low to high intensity (6--12km/h). With the public datasets, the AM-GAN achieves mean absolute error (MAE) for heart rate (HR) of 1.81 beats/min on IEEE-SPC and 3.86 beats/min on PPGDalia. On the in-house LU dataset, it shows the MAEs < 1.37 beats/min for HR and 2.49 breaths/min for respiratory rate (RR). A further in-house C2 dataset with three oxygen levels (16%, 18%, and 21%) was applied in the AM-GAN to attain a MAE of 1.65% for SpO2. The outcome demonstrates that the AM-GAN offers a robust and reliable physiological estimation under various intensities of physical activity.
Authors: Matthew Tamayo-Rios, Alexander Schell, Rima Alaifari
Abstract: The signature kernel is a recent state-of-the-art tool for analyzing high-dimensional sequential data, valued for its theoretical guarantees and strong empirical performance. In this paper, we present a novel method for efficiently computing the signature kernel of long, high-dimensional time series via adaptively truncated recursive local power series expansions. Building on the characterization of the signature kernel as the solution of a Goursat PDE, our approach employs tilewise Neumann-series expansions to derive rapidly converging power series approximations of the signature kernel that are locally defined on subdomains and propagated iteratively across the entire domain of the Goursat solution by exploiting the geometry of the time series. Algorithmically, this involves solving a system of interdependent Goursat PDEs via adaptively truncated local power series expansions and recursive propagation of boundary conditions along a directed graph in a topological ordering. This method strikes an effective balance between computational cost and accuracy, achieving substantial performance improvements over state-of-the-art approaches for computing the signature kernel. It offers (a) adjustable and superior accuracy, even for time series with very high roughness; (b) drastically reduced memory requirements; and (c) scalability to efficiently handle very long time series (one million data points or more) on a single GPU. As demonstrated in our benchmarks, these advantages make our method particularly well-suited for rough-path-assisted machine learning, financial modeling, and signal processing applications involving very long and highly volatile sequential data.
Authors: Chien-Yu Lin, Keisuke Kamahori, Yiyu Liu, Xiaoxiang Shi, Madhav Kashyap, Yile Gu, Rulin Shao, Zihao Ye, Kan Zhu, Rohan Kadekodi, Stephanie Wang, Arvind Krishnamurthy, Luis Ceze, Baris Kasikci
Abstract: Retrieval-augmented generation (RAG) extends large language models (LLMs) with external data sources to enhance factual correctness and domain coverage. Modern RAG pipelines rely on large datastores, creating a significant system challenge: achieving high throughput and low latency is difficult, especially when GPU memory is limited. To address these challenges, we propose TeleRAG, an efficient inference system that reduces latency and improves throughput with minimal GPU memory requirements. The core innovation of TeleRAG is lookahead retrieval, a prefetching mechanism that predicts required data and transfers them from CPU to GPU in parallel with LLM generation. In addition, TeleRAG adopts a prefetching scheduler and a cache-aware scheduler to support efficient multi-GPU inference with minimal overhead. Evaluations show TeleRAG achieves up to a 1.53x average end-to-end latency reduction (single-query) and 1.83x higher average throughput (batched), as well as good scalability in throughput. This confirms the practical utility of TeleRAG for faster and more memory-efficient deployments of RAG applications.
Authors: Sneh Pandya, Yuanyuan Yang, Nicholas Van Alfen, Jonathan Blazek, Robin Walters
Abstract: The intrinsic alignments (IA) of galaxies, a key contaminant in weak lensing analyses, arise from correlations in galaxy shapes driven by tidal interactions and galaxy formation processes. Accurate IA modeling is essential for robust cosmological inference, but current approaches rely on perturbative methods that break down on nonlinear scales or on expensive simulations. We introduce IAEmu, a neural network-based emulator that predicts the galaxy position-position ($\xi$), position-orientation ($\omega$), and orientation-orientation ($\eta$) correlation functions and their uncertainties using mock catalogs based on the halo occupation distribution (HOD) framework. Compared to simulations, IAEmu achieves ~3% average error for $\xi$ and ~5% for $\omega$, while capturing the stochasticity of $\eta$ without overfitting. The emulator provides both aleatoric and epistemic uncertainties, helping identify regions where predictions may be less reliable. We also demonstrate generalization to non-HOD alignment signals by fitting to IllustrisTNG hydrodynamical simulation data. As a fully differentiable neural network, IAEmu enables $\sim$10,000$\times$ speed-ups in mapping HOD parameters to correlation functions on GPUs, compared to CPU-based simulations. This acceleration facilitates inverse modeling via gradient-based sampling, making IAEmu a powerful surrogate model for galaxy bias and IA studies with direct applications to Stage IV weak lensing surveys.
Authors: Furqan Rustam, Islam Obaidat, Anca Delia Jurcut
Abstract: Multi-environment (M-En) networks integrate diverse traffic sources, including Internet of Things (IoT) and traditional computing systems, creating complex and evolving conditions for malicious traffic detection. Existing machine learning (ML)-based approaches, typically trained on static single-domain datasets, often fail to generalize across heterogeneous network environments. To address this gap, we develop a realistic Docker-NS3-based testbed that emulates both IoT and traditional traffic conditions, enabling the generation and capture of live, labeled network flows. The resulting M-En Dataset combines this traffic with curated public PCAP traces to provide comprehensive coverage of benign and malicious behaviors. Building on this foundation, we propose Multi-LF, a real-time continuous learning framework that combines a lightweight model (M1) for rapid detection with a deeper model (M2) for high-confidence refinement and adaptation. A confidence-based coordination mechanism enhances efficiency without compromising accuracy, while weight interpolation mitigates catastrophic forgetting during continuous updates. Features extracted at 1-second intervals capture fine-grained temporal patterns, enabling early recognition of evolving attack behaviors. Implemented and evaluated within the Docker-NS3 testbed on live traffic, Multi-LF achieves an accuracy of 0.999 while requiring human intervention for only 0.0026 percent of packets, demonstrating its effectiveness and practicality for real-time malicious traffic detection in heterogeneous network environments.
Authors: Andrew K. Lampinen, Arslan Chaudhry, Stephanie C. Y. Chan, Cody Wild, Diane Wan, Alex Ku, J\"org Bornschein, Razvan Pascanu, Murray Shanahan, James L. McClelland
Abstract: Large language models exhibit exciting capabilities, yet can show surprisingly narrow generalization from finetuning. E.g. they can fail to generalize to simple reversals of relations they are trained on, or fail to make simple logical deductions based on trained information. These failures to generalize factual information from fine-tuning can significantly hinder the reasoning capabilities of these models. On the other hand, language models' in-context learning (ICL) shows different inductive biases and deductive reasoning capabilities. Here, we explore these differences in generalization and deductive reasoning between in-context- and fine-tuning-based learning. To do so, we constructed several novel datasets to evaluate and improve models' abilities to make generalizations over factual information from novel data. These datasets are designed to create clean tests of generalization, by isolating the knowledge in the dataset from that in pretraining. We expose pretrained large models to controlled subsets of the information in these datasets -- either through ICL or fine-tuning -- and evaluate their performance on test sets that require various types of generalization. We find overall that in data-matched settings, ICL can generalize several types of inferences more flexibly than fine-tuning (though we also find some qualifications of prior findings, such as cases when fine-tuning can generalize to reversals embedded in a larger structure of knowledge). We build on these findings to propose a method to enable improved generalization from fine-tuning: adding in-context reasoning traces to finetuning data. We show that this method improves generalization across various splits of our datasets and other benchmarks. Our results have implications for understanding the generalization afforded by different modes of learning in language models, and practically improving their performance.
Authors: Shalin Anand Jain, Jiazhen Liu, Siva Kailas, Harish Ravichandar
Abstract: Multi-agent reinforcement learning (MARL) has emerged as a promising solution for learning complex and scalable coordination behaviors in multi-robot systems. However, established MARL platforms (e.g., SMAC and MPE) lack robotics relevance and hardware deployment, leaving multi-robot learning researchers to develop bespoke environments and hardware testbeds dedicated to the development and evaluation of their individual contributions. The Multi-Agent RL Benchmark and Learning Environment for the Robotarium (MARBLER) is an exciting recent step in providing a standardized robotics-relevant platform for MARL, by bridging the Robotarium testbed with existing MARL software infrastructure. However, MARBLER lacks support for parallelization and GPU/TPU execution, making the platform prohibitively slow compared to modern MARL environments and hindering adoption. We contribute JaxRobotarium, a Jax-powered end-to-end simulation, learning, deployment, and benchmarking platform for the Robotarium. JaxRobotarium enables rapid training and deployment of multi-robot RL (MRRL) policies with realistic robot dynamics and safety constraints, supporting parallelization and hardware acceleration. Our generalizable learning interface integrates easily with SOTA MARL libraries (e.g., JaxMARL). In addition, JaxRobotarium includes eight standardized coordination scenarios, including four novel scenarios that bring established MARL benchmark tasks (e.g., RWARE and Level-Based Foraging) to a robotics setting. We demonstrate that JaxRobotarium retains high simulation fidelity while achieving dramatic speedups over baseline (20x in training and 150x in simulation), and provides an open-access sim-to-real evaluation pipeline through the Robotarium testbed, accelerating and democratizing access to multi-robot learning research and evaluation. Our code is available at https://github.com/GT-STAR-Lab/JaxRobotarium.
Authors: Changyu Liu, Yuling Jiao, Junhui Wang, Jian Huang
Abstract: Wasserstein distributionally robust optimization (WDRO) strengthens statistical learning under model uncertainty by minimizing the local worst-case risk within a prescribed ambiguity set. Although WDRO has been extensively studied in parametric settings, its theoretical properties in nonparametric frameworks remain underexplored. This paper investigates WDRO for nonparametric regression. We first establish a structural distinction based on the order $k$ of the Wasserstein distance, showing that $k=1$ induces Lipschitz-type regularization, whereas $k > 1$ corresponds to gradient-norm regularization. To address model misspecification, we analyze the excess local worst-case risk, deriving non-asymptotic error bounds for estimators constructed using norm-constrained feedforward neural networks. This analysis is supported by new covering number and approximation bounds that simultaneously control both the function and its gradient. The proposed estimator achieves a convergence rate of $n^{-2\beta/(d+2\beta)}$ up to logarithmic factors, where $\beta$ depends on the target's smoothness and network parameters. This rate is shown to be minimax optimal under conditions commonly satisfied in high-dimensional settings. Moreover, these bounds on the excess local worst-case risk imply guarantees on the excess natural risk, ensuring robustness against any distribution within the ambiguity set. We show the framework's generality across regression and classification problems. Simulation studies and an application to the MNIST dataset further illustrate the estimator's robustness.
Authors: Chengyu Huang, Zhengxin Zhang, Claire Cardie
Abstract: While scaling the length of responses at test-time has been shown to markedly improve the reasoning abilities and performance of large language models (LLMs), it often results in verbose outputs and increases inference cost. Prior approaches for efficient test-time scaling, typically using universal budget constraints or query-level length optimization, do not leverage historical information from previous encounters with the same problem during training. We hypothesize that this limits their ability to progressively make solutions more concise over time. To address this, we present History-Aware Policy Optimization (HAPO), which keeps track of a history state (e.g., the minimum length over previously generated correct responses) for each problem. HAPO employs a novel length reward function based on this history state to incentivize the discovery of correct solutions that are more concise than those previously found. Crucially, this reward structure avoids overly penalizing shorter incorrect responses with the goal of facilitating exploration towards more efficient solutions. By combining this length reward with a correctness reward, HAPO jointly optimizes for correctness and efficiency. We use HAPO to train DeepSeek-R1-Distill-Qwen-1.5B, DeepScaleR-1.5B-Preview, and Qwen-2.5-1.5B-Instruct, and evaluate HAPO on several math benchmarks that span various difficulty levels. Experiment results demonstrate that HAPO effectively induces LLMs' concise reasoning abilities, producing length reductions of 33-59% with accuracy drops of only 2-5%.
Authors: Quan Cheng, Yuanyu Wan, Lingyu Wu, Chenping Hou, Lijun Zhang
Abstract: Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients. CoSO updates the model by projecting gradients onto these subspaces, ensuring memory-efficient optimization. To mitigate forgetting, the optimization subspace of each task is constrained to be orthogonal to the historical task subspace. During task learning, CoSO maintains a task-specific component that captures the critical update directions for the current task. Upon completing a task, this component is used to update the historical task subspace, laying the groundwork for subsequent learning. Extensive experiments on multiple datasets demonstrate that CoSO significantly outperforms state-of-the-art methods, especially in challenging scenarios with long task sequences.
Authors: Ashirbad Mishra, Jinyu Zhao, Soumik Dey, Hansi Wu, Binbin Li, Kamesh Madduri
Abstract: In the domain of sponsored search advertising, the focus of {Keyphrase recommendation has largely been on exact match types, which pose issues such as high management expenses, limited targeting scope, and evolving search query patterns. Alternatives like Broad match types can alleviate certain drawbacks of exact matches but present challenges like poor targeting accuracy and minimal supervisory signals owing to limited advertiser usage. This research defines the criteria for an ideal broad match, emphasizing on both efficiency and effectiveness, ensuring that a significant portion of matched queries are relevant. We propose BroadGen, an innovative framework that recommends efficient and effective broad match keyphrases by utilizing historical search query data. Additionally, we demonstrate that BroadGen, through token correspondence modeling, maintains better query stability over time. BroadGen's capabilities allow it to serve daily, millions of sellers at eBay with over 2.5 billion items.
Authors: Mokai Pan, Kaizhen Zhu, Yuexin Ma, Yanwei Fu, Jingyi Yu, Jingya Wang, Ye Shi
Abstract: Recent advances in diffusion bridge models leverage Doob's $h$-transform to establish fixed endpoints between distributions, demonstrating promising results in image translation and restoration tasks. However, these approaches often produce blurred or excessively smoothed image details and lack a comprehensive theoretical foundation to explain these shortcomings. To address these limitations, we propose UniDB, a unified and fast-sampling framework for diffusion bridges based on Stochastic Optimal Control (SOC). We reformulate the problem through an SOC-based optimization, proving that existing diffusion bridges employing Doob's $h$-transform constitute a special case, emerging when the terminal penalty coefficient in the SOC cost function tends to infinity. By incorporating a tunable terminal penalty coefficient, UniDB achieves an optimal balance between control costs and terminal penalties, substantially improving detail preservation and output quality. To avoid computationally expensive costs of iterative Euler sampling methods in UniDB, we design a training-free accelerated algorithm by deriving exact closed-form solutions for UniDB's reverse-time SDE. It is further complemented by replacing conventional noise prediction with a more stable data prediction model, along with an SDE-Corrector mechanism that maintains perceptual quality for low-step regimes, effectively reducing error accumulation. Extensive experiments across diverse image restoration tasks validate the superiority and adaptability of the proposed framework, bridging the gap between theoretical generality and practical efficiency. Our code is available online https://github.com/2769433owo/UniDB-plusplus.
Authors: George R. Nahass, Zhu Wang, Homa Rashidisabet, Won Hwa Kim, Sasha Hubschman, Jeffrey C. Peterson, Chad A. Purnell, Pete Setabutr, Ann Q. Tran, Darvin Yi, Sathya N. Ravi
Abstract: Machine unlearning aims to remove the influence of specific training samples from a trained model without full retraining. While prior work has largely focused on privacy-motivated settings, we recast unlearning as a general-purpose tool for post-deployment model revision. Specifically, we focus on utilizing unlearning in clinical contexts where data shifts, device deprecation, and policy changes are common. To this end, we propose a bilevel optimization formulation of boundary-based unlearning that can be solved using iterative algorithms. We provide convergence guarantees when first-order algorithms are used to unlearn. Our method introduces tunable loss design for controlling the forgetting-retention tradeoff and supports novel model composition strategies that merge the strengths of distinct unlearning runs. Across benchmark and real-world clinical imaging datasets, our approach outperforms baselines on both forgetting and retention metrics, including scenarios involving imaging devices and anatomical outliers. This work establishes machine unlearning as a modular, practical alternative to retraining for real-world model maintenance in clinical applications.
Authors: Jigang Fan, Quanlin Wu, Shengjie Luo, Liwei Wang
Abstract: The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design. Despite notable advances in recent years, existing methods, datasets, and evaluation metrics are confronted with several key challenges: (1) current datasets and methods are centered on individual protein-ligand complexes and neglect that diverse binding sites may exist across multiple complexes of the same protein, introducing significant statistical bias; (2) ligand binding site detection is typically modeled as a discontinuous workflow, employing binary segmentation and subsequent clustering algorithms; (3) traditional evaluation metrics do not adequately reflect the actual performance of different binding site prediction methods. To address these issues, we first introduce UniSite-DS, the first UniProt (Unique Protein)-centric ligand binding site dataset, which contains 4.81 times more multi-site data and 2.08 times more overall data compared to the previously most widely used datasets. We then propose UniSite, the first end-to-end ligand binding site detection framework supervised by set prediction loss with bijective matching. In addition, we introduce Average Precision based on Intersection over Union (IoU) as a more accurate evaluation metric for ligand binding site prediction. Extensive experiments on UniSite-DS and several representative benchmark datasets demonstrate that IoU-based Average Precision provides a more accurate reflection of prediction quality, and that UniSite outperforms current state-of-the-art methods in ligand binding site detection. The dataset and codes will be made publicly available at https://github.com/quanlin-wu/unisite.
Authors: Haoze Wu, Yunzhi Yao, Wenhao Yu, Ningyu Zhang
Abstract: Large Language Models (LLMs) exhibit remarkable code generation capabilities but falter when adapting to frequent updates in external library APIs. This critical limitation, stemming from reliance on outdated API knowledge from their training data, even with access to current documentation, impedes reliable code generation in dynamic environments. To tackle this issue, we propose ReCode (rule-based Reinforcement learning for Code Update), a novel framework that mimics human programmer adaptation to API changes. Specifically, we construct a dataset of approximately 2,000 data entries to train the LLMs to perform version migration based on updated information. Then, we introduce a modified string similarity metric for code evaluation as the reward for reinforcement learning. Our experiments demonstrate that ReCode substantially boosts LLMs' code generation performance in dynamic API scenarios, especially on the unseen CodeUpdateArena task. Crucially, compared to supervised fine-tuning, ReCode has less impact on LLMs' general code generation abilities. We apply ReCode on various LLMs and reinforcement learning algorithms (GRPO and DAPO), all achieving consistent improvements. Notably, after training, Qwen2.5-Coder-7B outperforms that of the 32B parameter code instruction-tuned model and the reasoning model with the same architecture. Code is available at https://github.com/zjunlp/ReCode.
Authors: Germans Savcisens, Tina Eliassi-Rad
Abstract: The public often attributes human-like qualities to large language models (LLMs) and assumes they "know" certain things. In reality, LLMs encode information retained during training as internal probabilistic knowledge. This study examines existing methods for probing the veracity of that knowledge and identifies several flawed underlying assumptions. To address these flaws, we introduce sAwMIL (Sparse-Aware Multiple-Instance Learning), a multiclass probing framework that combines multiple-instance learning with conformal prediction. sAwMIL leverages internal activations of LLMs to classify statements as true, false, or neither. We evaluate sAwMIL across 16 open-source LLMs, including default and chat-based variants, on three new curated datasets. Our results show that (1) common probing methods fail to provide a reliable and transferable veracity direction and, in some settings, perform worse than zero-shot prompting; (2) truth and falsehood are not encoded symmetrically; and (3) LLMs encode a third type of signal that is distinct from both true and false.
Authors: Ehsan Mirafzali, Frank Proske, Utkarsh Gupta, Daniele Venturi, Razvan Marinescu
Abstract: Score-based diffusion generative models have recently emerged as a powerful tool for modelling complex data distributions. These models aim at learning the score function, which defines a map from a known probability distribution to the target data distribution via deterministic or stochastic differential equations (SDEs). The score function is typically estimated from data using a variety of approximation techniques, such as denoising or sliced score matching, Hyv\"arien's method, or Schr\"odinger bridges. In this paper, we derive an exact, closed-form, expression for the score function for a broad class of nonlinear diffusion generative models. Our approach combines modern stochastic analysis tools such as Malliavin derivatives and their adjoint operators (Skorokhod integrals or Malliavin Divergence) with a new Bismut-type formula. The resulting expression for the score function can be written entirely in terms of the first and second variation processes, with all Malliavin derivatives systematically eliminated, thereby enhancing its practical applicability. The theoretical framework presented in this work offers a principled foundation for advancing score estimation methods in generative modelling, enabling the design of new sampling algorithms for complex probability distributions. Our results can be extended to broader classes of stochastic differential equations, opening new directions for the development of score-based diffusion generative models.
Authors: Zedong Liu, Shenggan Cheng, Guangming Tan, Yang You, Dingwen Tao
Abstract: Multimodal large language models (MLLMs) extend LLMs to handle images, videos, and audio by incorporating feature extractors and projection modules. However, these additional components -- combined with complex inference pipelines and heterogeneous workloads -- introduce significant inference overhead. Therefore, efficiently serving MLLMs remains a major challenge. Current tightly coupled serving architectures struggle to distinguish between mixed request types or adapt parallelism strategies to different inference stages, leading to increased time-to-first-token (TTFT) latency and poor resource utilization. To address this, we introduce Elastic Multimodal Parallelism (EMP), a new serving paradigm that elastically adapts to resource heterogeneity across request types and inference stages. Building upon EMP, we develop ElasticMM, an MLLM serving system that (1) separates requests into independent modality groups with dynamic resource allocation via a modality-aware load balancer; (2) decouples inference stages and enables parallelism adjustment and adaptive scaling via elastic partition scheduling; and (3) improves inference efficiency through unified multimodal prefix caching and non-blocking encoding. Experiments on diverse real-world datasets show that ElasticMM outperforms state-of-the-art (SOTA) serving systems, reducing TTFT by up to 4.2x and achieving 3.2-4.5x higher throughput while meeting service-level objectives (SLOs).
Authors: Sahar Salimpour, Lei Fu, Farhad Keramat, Leonardo Militano, Giovanni Toffetti, Harry Edelman, Jorge Pe\~na Queralta
Abstract: Foundation models, including large language models (LLMs) and vision-language models (VLMs), have recently enabled novel approaches to robot autonomy and human-robot interfaces. In parallel, vision-language-action models (VLAs) or large behavior models (LBMs) are increasing the dexterity and capabilities of robotic systems. This survey paper reviews works that advance agentic applications and architectures, including initial efforts with GPT-style interfaces and more complex systems where AI agents function as coordinators, planners, perception actors, or generalist interfaces. Such agentic architectures allow robots to reason over natural language instructions, invoke APIs, plan task sequences, or assist in operations and diagnostics. In addition to peer-reviewed research, due to the fast-evolving nature of the field, we highlight and include community-driven projects, ROS packages, and industrial frameworks that show emerging trends. We propose a taxonomy for classifying model integration approaches and present a comparative analysis of the role that agents play in different solutions in today's literature.
Authors: Leonidas Bakopoulos, Georgios Chalkiadakis
Abstract: Adaptive exploration methods propose ways to learn complex policies via alternating between exploration and exploitation. An important question for such methods is to determine the appropriate moment to switch between exploration and exploitation and vice versa. This is critical in domains that require the learning of long and complex sequences of actions. In this work, we present a generic adaptive exploration framework that employs uncertainty to address this important issue in a principled manner. Our framework includes previous adaptive exploration approaches as special cases. Moreover, we can incorporate in our framework any uncertainty-measuring mechanism of choice, for instance mechanisms used in intrinsic motivation or epistemic uncertainty-based exploration methods. We experimentally demonstrate that our framework gives rise to adaptive exploration strategies that outperform standard ones across several MuJoCo environments.
Authors: Anders Aamand, Maryam Aliakbarpour, Justin Y. Chen, Sandeep Silwal
Abstract: In the hypothesis selection problem, we are given sample and query access to finite set of candidate distributions (hypotheses), $\mathcal{H} = \{H_1, \ldots, H_n\}$, and samples from an unknown distribution $P$, both over a domain $\mathcal{X}$. The goal is to output a distribution $Q$ whose distance to $P$ is comparable to that of the nearest hypothesis in $\mathcal{H}$. Specifically, if the minimum distance is $\mathsf{OPT}$, we aim to output $Q$ such that, with probability at least $1-\delta$, its total variation distance to $P$ is at most $C \cdot \mathsf{OPT} + \varepsilon$. The optimal approximation for proper algorithms (where $Q \in \mathcal{H}$) is $C=3$ using $\Theta(\log(n/\delta)/\varepsilon^2)$ samples from $P$ and for improper algorithms (where $Q$ is not necessarily in $\mathcal{H}$) is $C=2$ using $\tilde{\Theta}(\log(n/\delta)/\varepsilon^2)$ samples from $P$. In the improper setting, the algorithm achieving $C=2$ [Bousquet, Braverman, Kol, Efremenko, Moran, FOCS 2021] runs in time which grows polynomially with $|\mathcal{X}|$ -- it does not run in finite time for real-valued distributions. A promising path towards improved runtime is to consider improper algorithms which output a mixture $Q$ of the hypotheses as such a distribution can be represented in $n$ words of memory. We show (1) a lower bound that no algorithm which outputs a mixture can achieve approximation better than $C = 3-2/n$ unless the number of samples is polynomial in $|\mathcal{X}|$, as well as (2) an algorithm which runs in time $\text{poly}(n)$ and achieves the same approximation guarantee. In the proper setting, [Aliakbarpour, Bun, Smith, NeurIPS 2024] provided an algorithm with $C=3$ running in $\tilde{O}(n/(\delta^3\varepsilon^3))$ time. We improve this time complexity to $\tilde{O}(n/(\delta \varepsilon^2))$, significantly reducing the dependence on the confidence and error parameters.
Authors: Han Wang, Alex Whitworth, Pak Ming Cheung, Zhenjie Zhang, Krishna Kamath
Abstract: Relevance evaluation plays a crucial role in personalized search systems to ensure that search results align with a user's queries and intent. While human annotation is the traditional method for relevance evaluation, its high cost and long turnaround time limit its scalability. In this work, we present our approach at Pinterest Search to automate relevance evaluation for online experiments using fine-tuned LLMs. We rigorously validate the alignment between LLM-generated judgments and human annotations, demonstrating that LLMs can provide reliable relevance measurement for experiments while greatly improving the evaluation efficiency. Leveraging LLM-based labeling further unlocks the opportunities to expand the query set, optimize sampling design, and efficiently assess a wider range of search experiences at scale. This approach leads to higher-quality relevance metrics and significantly reduces the Minimum Detectable Effect (MDE) in online experiment measurements.
Authors: Anh Tuan Nguyen, Viet Anh Nguyen
Abstract: Projection methods aim to reduce the dimensionality of the optimization instance, thereby improving the scalability of high-dimensional problems. Recently, Sakaue and Oki proposed a data-driven approach for linear programs (LPs), where the projection matrix is learned from observed problem instances drawn from an application-specific distribution of problems. We analyze the generalization guarantee for the data-driven projection matrix learning for convex quadratic programs (QPs). Unlike in LPs, the optimal solutions of convex QPs are not confined to the vertices of the feasible polyhedron, and this complicates the analysis of the optimal value function. To overcome this challenge, we demonstrate that the solutions of convex QPs can be localized within a feasible region corresponding to a special active set, utilizing Caratheodory's theorem. Building on such observation, we propose the unrolled active set method, which models the computation of the optimal value as a Goldberg-Jerrum (GJ) algorithm with bounded complexities, thereby establishing learning guarantees. We then further extend our analysis to other settings, including learning to match the optimal solution and input-aware setting, where we learn a mapping from QP problem instances to projection matrices.
Authors: Jeongsol Kim, Chanseok Lee, Jongin You, Jong Chul Ye, Mooseok Jang
Abstract: Phase retrieval in inline holography is a fundamental yet ill-posed inverse problem due to the nonlinear coupling between amplitude and phase in coherent imaging. We present a novel off-the-shelf solution that leverages a diffusion model trained solely on object amplitude to recover both amplitude and phase from diffraction intensities. Using a predictor-corrector sampling framework with separate likelihood gradients for amplitude and phase, our method enables complex field reconstruction without requiring ground-truth phase data for training. We validate the proposed approach through extensive simulations and experiments, demonstrating robust generalization across diverse object shapes, imaging system configurations, and modalities, including lensless setups. Notably, a diffusion prior trained on simple amplitude data (e.g., polystyrene beads) successfully reconstructs complex biological tissue structures, highlighting the method's adaptability. This framework provides a cost-effective, generalizable solution for nonlinear inverse problems in computational imaging, and establishes a foundation for broader coherent imaging applications beyond holography.
Authors: Dunyao Xue, Mengyu Li, Cheng Meng, Jingyi Zhang
Abstract: In this paper, we propose a novel element-wise subset selection method for the alternating least squares (ALS) algorithm, focusing on low-rank matrix factorization involving matrices with missing values, as commonly encountered in recommender systems. While ALS is widely used for providing personalized recommendations based on user-item interaction data, its high computational cost, stemming from repeated regression operations, poses significant challenges for large-scale datasets. To enhance the efficiency of ALS, we propose a core-elements subsampling method that selects a representative subset of data and leverages sparse matrix operations to approximate ALS estimations efficiently. We establish theoretical guarantees for the approximation and convergence of the proposed approach, showing that it achieves similar accuracy with significantly reduced computational time compared to full-data ALS. Extensive simulations and real-world applications demonstrate the effectiveness of our method in various scenarios, emphasizing its potential in large-scale recommendation systems.
Authors: Guanzhong Pan, Vishal Chodnekar, Abinas Roy, Haibo Wang
Abstract: Large language models (LLMs) are becoming increasingly widespread. Organizations that want to use AI for productivity now face an important decision. They can subscribe to commercial LLM services or deploy models on their own infrastructure. Cloud services from providers such as OpenAI, Anthropic, and Google are attractive because they provide easy access to state-of-the-art models and are easy to scale. However, concerns about data privacy, the difficulty of switching service providers, and long-term operating costs have driven interest in local deployment of open-source models. This paper presents a cost-benefit analysis framework to help organizations determine when on-premise LLM deployment becomes economically viable compared to commercial subscription services. We consider the hardware requirements, operational expenses, and performance benchmarks of the latest open-source models, including Qwen, Llama, Mistral, and etc. Then we compare the total cost of deploying these models locally with the major cloud providers subscription fee. Our findings provide an estimated breakeven point based on usage levels and performance needs. These results give organizations a practical framework for planning their LLM strategies.
Authors: Hyunho Cha, Daniel K. Park, Jungwoo Lee
Abstract: Quantum data re-uploading has proved powerful for classical inputs, where repeatedly encoding features into a small circuit yields universal function approximation. Extending this idea to quantum inputs remains underexplored, as the information contained in a quantum state is not directly accessible in classical form. We propose and analyze a quantum data re-uploading architecture in which a qubit interacts sequentially with fresh copies of an arbitrary input state. The circuit can approximate any bounded continuous function using only one ancilla qubit and single-qubit measurements. By alternating entangling unitaries with mid-circuit resets of the input register, the architecture realizes a discrete cascade of completely positive and trace-preserving maps, analogous to collision models in open quantum system dynamics. Our framework provides a qubit-efficient and expressive approach to designing quantum machine learning models that operate directly on quantum data.
Authors: Simone Lionetti, Fabian Gr\"oger, Philippe Gottfrois, Alvaro Gonzalez-Jimenez, Ludovic Amruthalingam, Alexander A. Navarini, Marc Pouly
Abstract: Clinical dataset labels are rarely certain as annotators disagree and confidence is not uniform across cases. Typical aggregation procedures, such as majority voting, obscure this variability. In simple experiments on medical imaging benchmarks, accounting for the confidence in binary labels significantly impacts model rankings. We therefore argue that machine-learning evaluations should explicitly account for annotation uncertainty using probabilistic metrics that directly operate on distributions. These metrics can be applied independently of the annotations' generating process, whether modeled by simple counting, subjective confidence ratings, or probabilistic response models. They are also computationally lightweight, as closed-form expressions have linear-time implementations once examples are sorted by model score. We thus urge the community to release raw annotations for datasets and to adopt uncertainty-aware evaluation so that performance estimates may better reflect clinical data.
Authors: Chenxi Whitehouse, Sebastian Ruder, Tony Lin, Oksana Kurylo, Haruka Takagi, Janice Lam, Nicol\`o Busetto, Denise Diaz, Francisco Guzm\'an
Abstract: Ensuring native-like quality of large language model (LLM) responses across many languages is challenging. To address this, we introduce MENLO, a framework that operationalizes the evaluation of native-like response quality based on audience design-inspired mechanisms. Using MENLO, we create a dataset of 6,423 human-annotated prompt-response preference pairs covering four quality dimensions with high inter-annotator agreement in 47 language varieties. Our evaluation reveals that zero-shot LLM judges benefit significantly from pairwise evaluation and our structured annotation rubrics, yet they still underperform human annotators on our dataset. We demonstrate substantial improvements through fine-tuning with reinforcement learning, reward shaping, and multi-task learning approaches. Additionally, we show that RL-trained judges can serve as generative reward models to enhance LLMs' multilingual proficiency, though discrepancies with human judgment remain. Our findings suggest promising directions for scalable multilingual evaluation and preference alignment. We release our dataset and evaluation framework to support further research in multilingual LLM evaluation.
Authors: Rohan Kadekodi, Zhan Jin, Keisuke Kamahori, Yile Gu, Sean Khatiri, Noah H. Bayindirli, Sergey Gorbunov, Baris Kasikci
Abstract: The deployment of Large Language Models (LLMs) as agentic orchestrators has revolutionized task automation, but the need for privacy-preserving, cost-effective solutions demands on-device inference capabilities. However, local LLMs consistently underperform compared to frontier models in tool calling scenarios, struggling with both tool selection from large tool sets and accurate argument generation for complex parameter structures. We introduce a methodology that disaggregates a tool-calling task into two distinct subtasks: tool selection and argument generation. We propose "decoupled fine-tuning", a novel post-training approach that employs LoRA fine-tuning to create dedicated LoRA adapters for tool selection and tool-specific argument generation using separate loss masking for each of the subtasks. Furthermore, we present DualTune, an inference framework that leverages the LoRA adapters created using decoupled fine-tuning to perform efficient agent orchestration with the help of local models on end-user devices. DualTune decomposes the tool-call generation step into tool selection and argument generation, and dynamically loads the corresponding LoRA adapters to generate tool calls. Additionally, DualTune implements hierarchical orchestration to restrict the number of tools required for tool selection. Our experiments on the MCP-Bench benchmark demonstrate that the Qwen-2.5-7B model trained using decoupled fine-tuning improves the tool calling accuracy of the base model by 46%, and outperforms other local reasoning, non-reasoning and fine-tuned models of similar size in all cases, and models that are 2x larger, in most cases.
Authors: Dustin Wright, Sarah Masud, Jared Moore, Srishti Yadav, Maria Antoniak, Peter Ebert Christensen, Chan Young Park, Isabelle Augenstein
Abstract: Large language models (LLMs) tend to generate lexically, semantically, and stylistically homogenous texts. This poses a risk of knowledge collapse, where homogenous LLMs mediate a shrinking in the range of accessible information over time. Existing works on homogenization are limited by a focus on closed-ended multiple-choice setups or fuzzy semantic features, and do not look at trends across time and cultural contexts. To overcome this, we present a new methodology to measure epistemic diversity, i.e., variation in real-world claims in LLM outputs, which we use to perform a broad empirical study of LLM knowledge collapse. We test 27 LLMs, 155 topics covering 12 countries, and 200 prompt variations sourced from real user chats. For the topics in our study, we show that while newer models tend to generate more diverse claims, nearly all models are less epistemically diverse than a basic web search. We find that model size has a negative impact on epistemic diversity, while retrieval-augmented generation (RAG) has a positive impact, though the improvement from RAG varies by the cultural context. Finally, compared to a traditional knowledge source (Wikipedia), we find that country-specific claims reflect the English language more than the local one, highlighting a gap in epistemic representation
Authors: Seungho Cho, Changgeon Ko, Eui Jun Hwang, Junmyeong Lee, Huije Lee, Jong C. Park
Abstract: Large language models (LLMs) are increasingly used across diverse cultural contexts, making accurate cultural understanding essential. Prior evaluations have mostly focused on output-level performance, obscuring the factors that drive differences in responses, while studies using circuit analysis have covered few languages and rarely focused on culture. In this work, we trace LLMs' internal cultural understanding mechanisms by measuring activation path overlaps when answering semantically equivalent questions under two conditions: varying the target country while fixing the question language, and varying the question language while fixing the country. We also use same-language country pairs to disentangle language from cultural aspects. Results show that internal paths overlap more for same-language, cross-country questions than for cross-language, same-country questions, indicating strong language-specific patterns. Notably, the South Korea-North Korea pair exhibits low overlap and high variability, showing that linguistic similarity does not guarantee aligned internal representation.
Authors: Changti Wu, Shijie Lian, Zihao Liu, Lei Zhang, Laurence Tianruo Yang, Kai Chen
Abstract: Solid geometry problem solving demands spatial mathematical reasoning that integrates spatial intelligence and symbolic reasoning. However, most existing multimodal mathematical reasoning benchmarks focus primarily on 2D plane geometry, rely on static datasets prone to data contamination and memorization, and evaluate models solely by final answers, overlooking the reasoning process. To address these limitations, we introduce DynaSolidGeo, the first dynamic benchmark for evaluating genuine spatial reasoning in Vision-Language Models (VLMs). Constructed through a semi-automatic annotation pipeline, DynaSolidGeo contains 503 expert-curated seed questions that can, in principle, dynamically generate an unbounded number of diverse multimodal text-visual instances. Beyond answer accuracy, we incorporate process evaluation based on expert-annotated reasoning chains to measure logical validity and causal coherence. Experiments across representative open-source and closed-source VLMs reveal large performance gaps, severe degradation in dynamic settings, and poor performance on tasks requiring high-level spatial intelligence, such as mental rotation and visualization. The code and dataset are available at \href{https://zgca-ai4edu.github.io/DynaSolidGeo/}{DynaSolidGeo}.
Authors: Georgios Kamaras, Craig Innes, Subramanian Ramamoorthy
Abstract: In robotics, likelihood-free inference (LFI) can provide the domain distribution that adapts a learnt agent in a parametric set of deployment conditions. LFI assumes an arbitrary support for sampling, which remains constant as the initial generic prior is iteratively refined to more descriptive posteriors. However, a potentially misspecified support can lead to suboptimal, yet falsely certain, posteriors. To address this issue, we propose three heuristic LFI variants: EDGE, MODE, and CENTRE. Each interprets the posterior mode shift over inference steps in its own way and, when integrated into an LFI step, adapts the support alongside posterior inference. We first expose the support misspecification issue and evaluate our heuristics using stochastic dynamical benchmarks. We then evaluate the impact of heuristic support adaptation on parameter inference and policy learning for a dynamic deformable linear object (DLO) manipulation task. Inference results in a finer length and stiffness classification for a parametric set of DLOs. When the resulting posteriors are used as domain distributions for sim-based policy learning, they lead to more robust object-centric agent performance.
Authors: Shijie Zhou, Viet Dac Lai, Hao Tan, Jihyung Kil, Wanrong Zhu, Changyou Chen, Ruiyi Zhang
Abstract: Graphical user interface (GUI) grounding is a key function of computer-use agents, which maps natural-language instructions to actionable screen regions. Existing approaches based on Multimodal Large Language Models (MLLMs) typically formulate it as a text-based coordinate generation task, yet directly generating precise coordinates from visual inputs remains challenging and computationally intensive. An intuitive way to implement GUI grounding is to first select visual patches relevant to the instructions and then determine the precise click location within those patches. Based on the observations that general MLLMs have some native grounding capability, nested within their attentions, we propose GUI-AIMA, an attention-based and coordinate-free supervised fine-tuning framework for efficient GUI grounding. GUI-AIMA aligns the intrinsic multimodal attention of MLLMs with patch-wise grounding signals. These signals are calculated adaptively for diverse user instructions by multi-head aggregation on simplified query-visual attention matrices. Besides, its coordinate-free manner can easily integrate a plug-and-play zoom-in stage. GUI-AIMA-3B was trained with only 85k screenshots, demonstrating exceptional data efficiency and verifying that light training can trigger the native grounding capability of MLLMs. It achieves state-of-the-art performance among 3B models, attaining an average accuracy of 59.6% on ScreenSpot-Pro, 63.8% on OSWorld-G and 91.5% on ScreenSpot-v2. Project page: https://github.com/sjz5202/GUI-AIMA
Authors: Rong Jiang, Cong Ma
Abstract: We study batched nonparametric contextual bandits under a margin condition when the margin parameter $\alpha$ is unknown. To capture the statistical cost of this ignorance, we introduce the regret inflation criterion, defined as the ratio between the regret of an adaptive algorithm and that of an oracle knowing $\alpha$. We show that the optimal regret inflation grows polynomially with the horizon $T$, with exponent given by the value of a convex optimization problem that depends on the dimension, smoothness, and number of batches $M$. Moreover, the minimizer of this optimization problem directly prescribes the batch allocation and exploration strategy of a rate-optimal algorithm. Building on this principle, we develop RoBIN (RObust batched algorithm with adaptive BINning), which achieves the optimal regret inflation up to polylogarithmic factors. These results reveal a new adaptivity barrier: under batching, adaptation to an unknown margin parameter inevitably incurs a polynomial penalty, sharply characterized by a variational problem. Remarkably, this barrier vanishes once the number of batches exceeds order $\log \log T$; with only a doubly logarithmic number of updates, one can recover the oracle regret rate up to polylogarithmic factors.
Authors: Arijit Bhattacharjee, Ali TehraniJamsaz, Le Chen, Niranjan Hasabnis, Mihai Capota, Nesreen Ahmed, Ali Jannesari
Abstract: Recent advances in large language models (LLMs) have significantly accelerated progress in code translation, enabling more accurate and efficient transformation across programming languages. While originally developed for natural language processing, LLMs have shown strong capabilities in modeling programming language syntax and semantics, outperforming traditional rule-based systems in both accuracy and flexibility. These models have streamlined cross-language conversion, reduced development overhead, and accelerated legacy code migration. In this paper, we introduce OMPILOT, a novel domain-specific encoder-decoder transformer tailored for translating C++ code into OpenMP, enabling effective shared-memory parallelization. OMPILOT leverages custom pre-training objectives that incorporate the semantics of parallel constructs and combines both unsupervised and supervised learning strategies to improve code translation robustness. Unlike previous work that focused primarily on loop-level transformations, OMPILOT operates at the function level to capture a wider semantic context. To evaluate our approach, we propose OMPBLEU, a novel composite metric specifically crafted to assess the correctness and quality of OpenMP parallel constructs, addressing limitations in conventional translation metrics.
Authors: Shiyao Sang
Abstract: We challenge the long-standing assumption that exhaustive scene modeling is required for high-performance end-to-end autonomous driving (E2EAD). Inspired by cognitive science, we propose that effective planning arises not from reconstructing the world, but from the co-evolution of belief and intent within a minimal set of semantically rich tokens. Experiments on the nuPlan benchmark (720 scenarios, 11k+ samples) reveal three principles: (1) sparse intent tokens alone achieve 0.487 m ADE, demonstrating strong performance without future prediction; (2) conditioning trajectory decoding on predicted future tokens reduces ADE to 0.382 m, a 21.6% improvement, showing that performance emerges from cognitive planning; and (3) explicit reconstruction loss degrades performance, confirming that task-driven belief-intent co-evolution suffices under reliable perception inputs. Crucially, we observe the emergence of cognitive consistency: through prolonged training, the model spontaneously develops stable token dynamics that balance current perception (belief) and future goals (intent). This process, accompanied by "temporal fuzziness," enables robustness under uncertainty and continuous self-optimization. Our work establishes a new paradigm: intelligence lies not in pixel fidelity, but in the tokenized duality of belief and intent. By reframing planning as understanding rather than reaction, TIWM bridges the gap between world models and VLA systems, paving the way for foresightful agents that plan through imagination. Note: Numerical comparisons with methods reporting results on nuScenes are indicative only, as nuPlan presents a more challenging planning-focused evaluation.
Authors: Hassan Iqbal, Xingjian Li, Tyler Ingebrand, Adam Thorpe, Krishna Kumar, Ufuk Topcu, J\'an Drgo\v{n}a
Abstract: We introduce a differentiable framework for zero-shot adaptive control over parametric families of nonlinear dynamical systems. Our approach integrates a function encoder-based neural ODE (FE-NODE) for modeling system dynamics with a differentiable predictive control (DPC) for offline self-supervised learning of explicit control policies. The FE-NODE captures nonlinear behaviors in state transitions and enables zero-shot adaptation to new systems without retraining, while the DPC efficiently learns control policies across system parameterizations, thus eliminating costly online optimization common in classical model predictive control. We demonstrate the efficiency, accuracy, and online adaptability of the proposed method across a range of nonlinear systems with varying parametric scenarios, highlighting its potential as a general-purpose tool for fast zero-shot adaptive control.
Authors: Yaxuan Wang, Chris Yuhao Liu, Quan Liu, Jinglong Pang, Wei Wei, Yujia Bao, Yang Liu
Abstract: Unlearning in Large Language Models (LLMs) is crucial for protecting private data and removing harmful knowledge. Most existing approaches rely on fine-tuning to balance unlearning efficiency with general language capabilities. However, these methods typically require training or access to retain data, which is often unavailable in real world scenarios. Although these methods can perform well when both forget and retain data are available, few works have demonstrated equivalent capability in more practical, data-limited scenarios. To overcome these limitations, we propose Detect-Reasoning Augmented GeneratiON (DRAGON), a systematic, reasoning-based framework that utilizes in-context chain-of-thought (CoT) instructions to guard deployed LLMs before inference. Instead of modifying the base model, DRAGON leverages the inherent instruction-following ability of LLMs and introduces a lightweight detection module to identify forget-worthy prompts without any retain data. These are then routed through a dedicated CoT guard model to enforce safe and accurate in-context intervention. To robustly evaluate unlearning performance, we introduce novel metrics for unlearning performance and the continual unlearning setting. Extensive experiments across three representative unlearning tasks validate the effectiveness of DRAGON, demonstrating its strong unlearning capability, scalability, and applicability in practical scenarios.
Authors: Seyed Alireza Javid, Amirhossein Bagheri, Nuria Gonz\'alez-Prelcic
Abstract: Classifier-guided diffusion models have emerged as a powerful approach for conditional image generation, but they suffer from overconfident predictions during early denoising steps, causing the guidance gradient to vanish. This paper introduces two complementary contributions to address this issue. First, we propose a differentiable calibration objective based on the Smooth Expected Calibration Error (Smooth ECE), which improves classifier calibration with minimal fine-tuning and yields measurable improvements in Frechet Inception Distance (FID). Second, we develop enhanced sampling guidance methods that operate on off-the-shelf classifiers without requiring retraining. These include tilted sampling with batch-level reweighting, adaptive entropy-regularized sampling to preserve diversity, and a novel f-divergence-based sampling strategy that strengthens class-consistent guidance while maintaining mode coverage. Experiments on ImageNet 128x128 demonstrate that our divergence-regularized guidance achieves an FID of 2.13 using a ResNet-101 classifier, improving upon existing classifier-guided diffusion methods while requiring no diffusion model retraining. The results show that principled calibration and divergence-aware sampling provide practical and effective improvements for classifier-guided diffusion.
Authors: Peng Zhang, Peijie Sun
Abstract: Safety alignment instills in Large Language Models (LLMs) a critical capacity to refuse malicious requests. Prior works have modeled this refusal mechanism as a single linear direction in the activation space. We posit that this is an oversimplification that conflates two functionally distinct neural processes: the detection of harm and the execution of a refusal. In this work, we deconstruct this single representation into a Harm Detection Direction and a Refusal Execution Direction. Leveraging this fine-grained model, we introduce Differentiated Bi-Directional Intervention (DBDI), a new white-box framework that precisely neutralizes the safety alignment at critical layer. DBDI applies adaptive projection nullification to the refusal execution direction while suppressing the harm detection direction via direct steering. Extensive experiments demonstrate that DBDI outperforms prominent jailbreaking methods, achieving up to a 97.88\% attack success rate on models such as Llama-2. By providing a more granular and mechanistic framework, our work offers a new direction for the in-depth understanding of LLM safety alignment.
Authors: Binyan Xu, Fan Yang, Di Tang, Xilin Dai, Kehuan Zhang
Abstract: Clean-image backdoor attacks, which use only label manipulation in training datasets to compromise deep neural networks, pose a significant threat to security-critical applications. A critical flaw in existing methods is that the poison rate required for a successful attack induces a proportional, and thus noticeable, drop in Clean Accuracy (CA), undermining their stealthiness. This paper presents a new paradigm for clean-image attacks that minimizes this accuracy degradation by optimizing the trigger itself. We introduce Generative Clean-Image Backdoors (GCB), a framework that uses a conditional InfoGAN to identify naturally occurring image features that can serve as potent and stealthy triggers. By ensuring these triggers are easily separable from benign task-related features, GCB enables a victim model to learn the backdoor from an extremely small set of poisoned examples, resulting in a CA drop of less than 1%. Our experiments demonstrate GCB's remarkable versatility, successfully adapting to six datasets, five architectures, and four tasks, including the first demonstration of clean-image backdoors in regression and segmentation. GCB also exhibits resilience against most of the existing backdoor defenses.
Authors: Kevin Zielnicki, Guy Aridor, Aur\'elien Bibaut, Allen Tran, Winston Chou, Nathan Kallus
Abstract: Personalized recommendation systems shape much of user choice online, yet their targeted nature makes separating out the value of recommendation and the underlying goods challenging. We build a discrete choice model that embeds recommendation-induced utility, low-rank heterogeneity, and flexible state dependence and apply the model to viewership data at Netflix. We exploit idiosyncratic variation introduced by the recommendation algorithm to identify and separately value these components as well as to recover model-free diversion ratios that we can use to validate our structural model. We use the model to evaluate counterfactuals that quantify the incremental engagement generated by personalized recommendations. First, we show that replacing the current recommender system with a matrix factorization or popularity-based algorithm would lead to 4% and 12% reduction in engagement, respectively, and decreased consumption diversity. Second, most of the consumption increase from recommendations comes from effective targeting, not mechanical exposure, with the largest gains for mid-popularity goods (as opposed to broadly appealing or very niche goods).
Authors: Zhen Wang, Yufan Zhou, Zhongyan Luo, Lyumanshan Ye, Adam Wood, Man Yao, Luoshang Pan
Abstract: Simulating human profiles by instilling personas into large language models (LLMs) is rapidly transforming research in agentic behavioral simulation, LLM personalization, and human-AI alignment. However, most existing synthetic personas remain shallow and simplistic, capturing minimal attributes and failing to reflect the rich complexity and diversity of real human identities. We introduce DEEPPERSONA, a scalable generative engine for synthesizing narrative-complete synthetic personas through a two-stage, taxonomy-guided method. First, we algorithmically construct the largest-ever human-attribute taxonomy, comprising over hundreds of hierarchically organized attributes, by mining thousands of real user-ChatGPT conversations. Second, we progressively sample attributes from this taxonomy, conditionally generating coherent and realistic personas that average hundreds of structured attributes and roughly 1 MB of narrative text, two orders of magnitude deeper than prior works. Intrinsic evaluations confirm significant improvements in attribute diversity (32 percent higher coverage) and profile uniqueness (44 percent greater) compared to state-of-the-art baselines. Extrinsically, our personas enhance GPT-4.1-mini's personalized question answering accuracy by 11.6 percent on average across ten metrics and substantially narrow (by 31.7 percent) the gap between simulated LLM citizens and authentic human responses in social surveys. Our generated national citizens reduced the performance gap on the Big Five personality test by 17 percent relative to LLM-simulated citizens. DEEPPERSONA thus provides a rigorous, scalable, and privacy-free platform for high-fidelity human simulation and personalized AI research.