Authors: Rutger Hendrix, Giovanni Patan\`e, Leonardo G. Russo, Simone Carnemolla, Giovanni Bellitto, Federica Proietto Salanitri, Concetto Spampinato, Matteo Pennisi
Abstract: Foundation models have transformed multimedia analysis by enabling robust and transferable representations across diverse modalities and tasks. However, their static deployment conflicts with growing societal and regulatory demands -- particularly the need to unlearn specific data upon request, as mandated by privacy frameworks such as the GDPR. Traditional unlearning approaches, including retraining, activation editing, or distillation, are often computationally expensive, fragile, and ill-suited for real-time or continuously evolving systems. In this paper, we propose a paradigm shift: rethinking unlearning not as a retroactive intervention but as a built-in capability. We introduce a prompt-based learning framework that unifies knowledge acquisition and removal within a single training phase. Rather than encoding information in model weights, our approach binds class-level semantics to dedicated prompt tokens. This design enables instant unlearning simply by removing the corresponding prompt -- without retraining, model modification, or access to original data. Experiments demonstrate that our framework preserves predictive performance on retained classes while effectively erasing forgotten ones. Beyond utility, our method exhibits strong privacy and security guarantees: it is resistant to membership inference attacks, and prompt removal prevents any residual knowledge extraction, even under adversarial conditions. This ensures compliance with data protection principles and safeguards against unauthorized access to forgotten information, making the framework suitable for deployment in sensitive and regulated environments. Overall, by embedding removability into the architecture itself, this work establishes a new foundation for designing modular, scalable and ethically responsive AI models.
Authors: Zimo Yan, Jie Zhang, Zheng Xie, Yiping Song, Hao Li
Abstract: Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional groups to global molecular topology, and typically lack mechanisms to quantify prediction confidence. To address these limitations, we propose MPNP-DDI, a novel Multi-scale Graph Neural Process framework. The core of MPNP-DDI is a unique message-passing scheme that, by being iteratively applied, learns a hierarchy of graph representations at multiple scales. Crucially, a cross-drug co-attention mechanism then dynamically fuses these multi-scale representations to generate context-aware embeddings for interacting drug pairs, while an integrated neural process module provides principled uncertainty estimation. Extensive experiments demonstrate that MPNP-DDI significantly outperforms state-of-the-art baselines on benchmark datasets. By providing accurate, generalizable, and uncertainty-aware predictions built upon multi-scale structural features, MPNP-DDI represents a powerful computational tool for pharmacovigilance, polypharmacy risk assessment, and precision medicine.
Authors: Zheng Yang, Guoxuan Chi, Chenshu Wu, Hanyu Liu, Yuchong Gao, Yunhao Liu, Jie Xu, Tony Xiao Han
Abstract: Generative Artificial Intelligence (GenAI) has made significant advancements in fields such as computer vision (CV) and natural language processing (NLP), demonstrating its capability to synthesize high-fidelity data and improve generalization. Recently, there has been growing interest in integrating GenAI into wireless sensing systems. By leveraging generative techniques such as data augmentation, domain adaptation, and denoising, wireless sensing applications, including device localization, human activity recognition, and environmental monitoring, can be significantly improved. This survey investigates the convergence of GenAI and wireless sensing from two complementary perspectives. First, we explore how GenAI can be integrated into wireless sensing pipelines, focusing on two modes of integration: as a plugin to augment task-specific models and as a solver to directly address sensing tasks. Second, we analyze the characteristics of mainstream generative models, such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and diffusion models, and discuss their applicability and unique advantages across various wireless sensing tasks. We further identify key challenges in applying GenAI to wireless sensing and outline a future direction toward a wireless foundation model: a unified, pre-trained design capable of scalable, adaptable, and efficient signal understanding across diverse sensing tasks.
Authors: Liang Zhang, Hanyang Dong, Jia-Hong Gao, Yi Sun, Kuntao Xiao, Wanli Yang, Zhao Lv, Shurong Sheng
Abstract: Deep learning-based EEG classification is crucial for the automated detection of neurological disorders, improving diagnostic accuracy and enabling early intervention. However, the low signal-to-noise ratio of EEG signals limits model performance, making feature selection (FS) vital for optimizing representations learned by neural network encoders. Existing FS methods are seldom designed specifically for EEG diagnosis; many are architecture-dependent and lack interpretability, limiting their applicability. Moreover, most rely on single-iteration data, resulting in limited robustness to variability. To address these issues, we propose IEFS-GMB, an Information Entropy-based Feature Selection method guided by a Gradient Memory Bank. This approach constructs a dynamic memory bank storing historical gradients, computes feature importance via information entropy, and applies entropy-based weighting to select informative EEG features. Experiments on four public neurological disease datasets show that encoders enhanced with IEFS-GMB achieve accuracy improvements of 0.64% to 6.45% over baseline models. The method also outperforms four competing FS techniques and improves model interpretability, supporting its practical use in clinical settings.
Authors: Luc\'ia Prieto-Santamar\'ia, Alba Cort\'es Iglesias, Claudio Vidal Gin\'e, Ferm\'in Fern\'andez Calder\'on, \'Oscar M. Lozano, Alejandro Rodr\'iguez-Gonz\'alez
Abstract: Understanding the real-world effects of recreational drug use remains a critical challenge in public health and biomedical research, especially as traditional surveillance systems often underrepresent user experiences. In this study, we leverage social media (specifically Twitter) as a rich and unfiltered source of user-reported effects associated with three emerging psychoactive substances: ecstasy, GHB, and 2C-B. By combining a curated list of slang terms with biomedical concept extraction via MetaMap, we identified and weakly annotated over 92,000 tweets mentioning these substances. Each tweet was labeled with a polarity reflecting whether it reported a positive or negative effect, following an expert-guided heuristic process. We then performed descriptive and comparative analyses of the reported phenotypic outcomes across substances and trained multiple machine learning classifiers to predict polarity from tweet content, accounting for strong class imbalance using techniques such as cost-sensitive learning and synthetic oversampling. The top performance on the test set was obtained from eXtreme Gradient Boosting with cost-sensitive learning (F1 = 0.885, AUPRC = 0.934). Our findings reveal that Twitter enables the detection of substance-specific phenotypic effects, and that polarity classification models can support real-time pharmacovigilance and drug effect characterization with high accuracy.
Authors: Elisabetta Rocchetti
Abstract: The process by which Large Language Models (LLMs) acquire complex capabilities during training remains a key open question in mechanistic interpretability. This project investigates whether these learning dynamics can be characterized through the lens of Complex Network Theory (CNT). I introduce a novel methodology to represent a Transformer-based LLM as a directed, weighted graph where nodes are the model's computational components (attention heads and MLPs) and edges represent causal influence, measured via an intervention-based ablation technique. By tracking the evolution of this component-graph across 143 training checkpoints of the Pythia-14M model on a canonical induction task, I analyze a suite of graph-theoretic metrics. The results reveal that the network's structure evolves through distinct phases of exploration, consolidation, and refinement. Specifically, I identify the emergence of a stable hierarchy of information spreader components and a dynamic set of information gatherer components, whose roles reconfigure at key learning junctures. This work demonstrates that a component-level network perspective offers a powerful macroscopic lens for visualizing and understanding the self-organizing principles that drive the formation of functional circuits in LLMs.
Authors: Giacomo Dall'Olio, Rainer Kolisch, Yaoxin Wu
Abstract: The team formation and routing problem is a challenging optimization problem with several real-world applications in fields such as airport, healthcare, and maintenance operations. To solve this problem, exact solution methods based on column generation have been proposed in the literature. In this paper, we propose a novel partial column generation strategy for settings with multiple pricing problems, based on predicting which ones are likely to yield columns with a negative reduced cost. We develop a machine learning model tailored to the team formation and routing problem that leverages graph neural networks for these predictions. Computational experiments demonstrate that applying our strategy enhances the solution method and outperforms traditional partial column generation approaches from the literature, particularly on hard instances solved under a tight time limit.
Authors: Chi Liu, Derek Li, Yan Shu, Robin Chen, Derek Duan, Teng Fang, Bryan Dai
Abstract: While large language models show promise in medical applications, achieving expert-level clinical reasoning remains challenging due to the need for both accurate answers and transparent reasoning processes. To address this challenge, we introduce Fleming-R1, a model designed for verifiable medical reasoning through three complementary innovations. First, our Reasoning-Oriented Data Strategy (RODS) combines curated medical QA datasets with knowledge-graph-guided synthesis to improve coverage of underrepresented diseases, drugs, and multi-hop reasoning chains. Second, we employ Chain-of-Thought (CoT) cold start to distill high-quality reasoning trajectories from teacher models, establishing robust inference priors. Third, we implement a two-stage Reinforcement Learning from Verifiable Rewards (RLVR) framework using Group Relative Policy Optimization, which consolidates core reasoning skills while targeting persistent failure modes through adaptive hard-sample mining. Across diverse medical benchmarks, Fleming-R1 delivers substantial parameter-efficient improvements: the 7B variant surpasses much larger baselines, while the 32B model achieves near-parity with GPT-4o and consistently outperforms strong open-source alternatives. These results demonstrate that structured data design, reasoning-oriented initialization, and verifiable reinforcement learning can advance clinical reasoning beyond simple accuracy optimization. We release Fleming-R1 publicly to promote transparent, reproducible, and auditable progress in medical AI, enabling safer deployment in high-stakes clinical environments.
Authors: Giorgos Armeniakos, Theodoros Mantzakidis, Dimitrios Soudris
Abstract: Printed Electronics (PE) provide a flexible, cost-efficient alternative to silicon for implementing machine learning (ML) circuits, but their large feature sizes limit classifier complexity. Leveraging PE's low fabrication and NRE costs, designers can tailor hardware to specific ML models, simplifying circuit design. This work explores alternative arithmetic and proposes a hybrid unary-binary architecture that removes costly encoders and enables efficient, multiplier-less execution of MLP classifiers. We also introduce architecture-aware training to further improve area and power efficiency. Evaluation on six datasets shows average reductions of 46% in area and 39% in power, with minimal accuracy loss, surpassing other state-of-the-art MLP designs.
Authors: Yue Song, T. Anderson Keller, Sevan Brodjian, Takeru Miyato, Yisong Yue, Pietro Perona, Max Welling
Abstract: Orientation-rich images, such as fingerprints and textures, often exhibit coherent angular directional patterns that are challenging to model using standard generative approaches based on isotropic Euclidean diffusion. Motivated by the role of phase synchronization in biological systems, we propose a score-based generative model built on periodic domains by leveraging stochastic Kuramoto dynamics in the diffusion process. In neural and physical systems, Kuramoto models capture synchronization phenomena across coupled oscillators -- a behavior that we re-purpose here as an inductive bias for structured image generation. In our framework, the forward process performs \textit{synchronization} among phase variables through globally or locally coupled oscillator interactions and attraction to a global reference phase, gradually collapsing the data into a low-entropy von Mises distribution. The reverse process then performs \textit{desynchronization}, generating diverse patterns by reversing the dynamics with a learned score function. This approach enables structured destruction during forward diffusion and a hierarchical generation process that progressively refines global coherence into fine-scale details. We implement wrapped Gaussian transition kernels and periodicity-aware networks to account for the circular geometry. Our method achieves competitive results on general image benchmarks and significantly improves generation quality on orientation-dense datasets like fingerprints and textures. Ultimately, this work demonstrates the promise of biologically inspired synchronization dynamics as structured priors in generative modeling.
Authors: Jia Tang, Xinrui Wang, Songcan Chen
Abstract: Continual learning (CL) involves acquiring and accumulating knowledge from evolving tasks while alleviating catastrophic forgetting. Recently, leveraging contrastive loss to construct more transferable and less forgetful representations has been a promising direction in CL. Despite advancements, their performance is still limited due to confusion arising from both inter-task and intra-task features. To address the problem, we propose a simple yet effective contrastive strategy named \textbf{G}lobal \textbf{P}re-fixing, \textbf{L}ocal \textbf{A}djusting for \textbf{S}upervised \textbf{C}ontrastive learning (GPLASC). Specifically, to avoid task-level confusion, we divide the entire unit hypersphere of representations into non-overlapping regions, with the centers of the regions forming an inter-task pre-fixed \textbf{E}quiangular \textbf{T}ight \textbf{F}rame (ETF). Meanwhile, for individual tasks, our method helps regulate the feature structure and form intra-task adjustable ETFs within their respective allocated regions. As a result, our method \textit{simultaneously} ensures discriminative feature structures both between tasks and within tasks and can be seamlessly integrated into any existing contrastive continual learning framework. Extensive experiments validate its effectiveness.
Authors: Petrus H. Zwart
Abstract: Conformal prediction provides distribution-free prediction sets with guaranteed marginal coverage. However, in split conformal prediction this guarantee is training-conditional only in expectation: across many calibration draws, the average coverage equals the nominal level, but the realized coverage for a single calibration set may vary substantially. This variance undermines effective risk control in practical applications. Here we introduce the Small Sample Beta Correction (SSBC), a plug-and-play adjustment to the conformal significance level that leverages the exact finite-sample distribution of conformal coverage to provide probabilistic guarantees, ensuring that with user-defined probability over the calibration draw, the deployed predictor achieves at least the desired coverage.
Authors: Kevin Ren, Santiago Cortes-Gomez, Carlos Miguel Pati\~no, Ananya Joshi, Ruiqi Lyu, Jingjing Tang, Alistair Turcan, Khurram Yamin, Steven Wu, Bryan Wilder
Abstract: Recent work has investigated the capabilities of large language models (LLMs) as zero-shot models for generating individual-level characteristics (e.g., to serve as risk models or augment survey datasets). However, when should a user have confidence that an LLM will provide high-quality predictions for their particular task? To address this question, we conduct a large-scale empirical study of LLMs' zero-shot predictive capabilities across a wide range of tabular prediction tasks. We find that LLMs' performance is highly variable, both on tasks within the same dataset and across different datasets. However, when the LLM performs well on the base prediction task, its predicted probabilities become a stronger signal for individual-level accuracy. Then, we construct metrics to predict LLMs' performance at the task level, aiming to distinguish between tasks where LLMs may perform well and where they are likely unsuitable. We find that some of these metrics, each of which are assessed without labeled data, yield strong signals of LLMs' predictive performance on new tasks.
Authors: Rodion Nazarov, Allen Gehret, Robert Shorten, Jakub Marecek
Abstract: Modulus of local continuity is used to evaluate the robustness of neural networks and fairness of their repeated uses in closed-loop models. Here, we revisit a connection between generalized derivatives and moduli of local continuity, and present a non-uniform stochastic sample approximation for moduli of local continuity. This is of importance in studying robustness of neural networks and fairness of their repeated uses.
Authors: Vicky Kouni
Abstract: Unfolding networks are interpretable networks emerging from iterative algorithms, incorporate prior knowledge of data structure, and are designed to solve inverse problems like compressed sensing, which deals with recovering data from noisy, missing observations. Compressed sensing finds applications in critical domains, from medical imaging to cryptography, where adversarial robustness is crucial to prevent catastrophic failures. However, a solid theoretical understanding of the performance of unfolding networks in the presence of adversarial attacks is still in its infancy. In this paper, we study the adversarial generalization of unfolding networks when perturbed with $l_2$-norm constrained attacks, generated by the fast gradient sign method. Particularly, we choose a family of state-of-the-art overaparameterized unfolding networks and deploy a new framework to estimate their adversarial Rademacher complexity. Given this estimate, we provide adversarial generalization error bounds for the networks under study, which are tight with respect to the attack level. To our knowledge, this is the first theoretical analysis on the adversarial generalization of unfolding networks. We further present a series of experiments on real-world data, with results corroborating our derived theory, consistently for all data. Finally, we observe that the family's overparameterization can be exploited to promote adversarial robustness, shedding light on how to efficiently robustify neural networks.
Authors: Sihan Zeng, Benjamin Patrick Evans, Sujay Bhatt, Leo Ardon, Sumitra Ganesh, Alec Koppel
Abstract: We study policy optimization in Stackelberg mean field games (MFGs), a hierarchical framework for modeling the strategic interaction between a single leader and an infinitely large population of homogeneous followers. The objective can be formulated as a structured bi-level optimization problem, in which the leader needs to learn a policy maximizing its reward, anticipating the response of the followers. Existing methods for solving these (and related) problems often rely on restrictive independence assumptions between the leader's and followers' objectives, use samples inefficiently due to nested-loop algorithm structure, and lack finite-time convergence guarantees. To address these limitations, we propose AC-SMFG, a single-loop actor-critic algorithm that operates on continuously generated Markovian samples. The algorithm alternates between (semi-)gradient updates for the leader, a representative follower, and the mean field, and is simple to implement in practice. We establish the finite-time and finite-sample convergence of the algorithm to a stationary point of the Stackelberg objective. To our knowledge, this is the first Stackelberg MFG algorithm with non-asymptotic convergence guarantees. Our key assumption is a "gradient alignment" condition, which requires that the full policy gradient of the leader can be approximated by a partial component of it, relaxing the existing leader-follower independence assumption. Simulation results in a range of well-established economics environments demonstrate that AC-SMFG outperforms existing multi-agent and MFG learning baselines in policy quality and convergence speed.
Authors: Weibin Feng, Ran Tao, John Cartlidge, Jin Zheng
Abstract: In time series forecasting, capturing recurrent temporal patterns is essential; decomposition techniques make such structure explicit and thereby improve predictive performance. Variational Mode Decomposition (VMD) is a powerful signal-processing method for periodicity-aware decomposition and has seen growing adoption in recent years. However, existing studies often suffer from information leakage and rely on inappropriate hyperparameter tuning. To address these issues, we propose VMDNet, a causality-preserving framework that (i) applies sample-wise VMD to avoid leakage; (ii) represents each decomposed mode with frequency-aware embeddings and decodes it using parallel temporal convolutional networks (TCNs), ensuring mode independence and efficient learning; and (iii) introduces a bilevel, Stackelberg-inspired optimisation to adaptively select VMD's two core hyperparameters: the number of modes (K) and the bandwidth penalty (alpha). Experiments on two energy-related datasets demonstrate that VMDNet achieves state-of-the-art results when periodicity is strong, showing clear advantages in capturing structured periodic patterns while remaining robust under weak periodicity.
Authors: Xiaochuan Gong, Jie Hao, Mingrui Liu
Abstract: Hierarchical optimization refers to problems with interdependent decision variables and objectives, such as minimax and bilevel formulations. While various algorithms have been proposed, existing methods and analyses lack adaptivity in stochastic optimization settings: they cannot achieve optimal convergence rates across a wide spectrum of gradient noise levels without prior knowledge of the noise magnitude. In this paper, we propose novel adaptive algorithms for two important classes of stochastic hierarchical optimization problems: nonconvex-strongly-concave minimax optimization and nonconvex-strongly-convex bilevel optimization. Our algorithms achieve sharp convergence rates of $\widetilde{O}(1/\sqrt{T} + \sqrt{\bar{\sigma}}/T^{1/4})$ in $T$ iterations for the gradient norm, where $\bar{\sigma}$ is an upper bound on the stochastic gradient noise. Notably, these rates are obtained without prior knowledge of the noise level, thereby enabling automatic adaptivity in both low and high-noise regimes. To our knowledge, this work provides the first adaptive and sharp convergence guarantees for stochastic hierarchical optimization. Our algorithm design combines the momentum normalization technique with novel adaptive parameter choices. Extensive experiments on synthetic and deep learning tasks demonstrate the effectiveness of our proposed algorithms.
Authors: Eric Aislan Antonelo, Gustavo Claudio Karl Couto, Christian M\"oller
Abstract: Standard Behavior Cloning (BC) fails to learn multimodal driving decisions, where multiple valid actions exist for the same scenario. We explore Implicit Behavioral Cloning (IBC) with Energy-Based Models (EBMs) to better capture this multimodality. We propose Data-Augmented IBC (DA-IBC), which improves learning by perturbing expert actions to form the counterexamples of IBC training and using better initialization for derivative-free inference. Experiments in the CARLA simulator with Bird's-Eye View inputs demonstrate that DA-IBC outperforms standard IBC in urban driving tasks designed to evaluate multimodal behavior learning in a test environment. The learned energy landscapes are able to represent multimodal action distributions, which BC fails to achieve.
Authors: Yuxi Chen, Tiffany Tang, Genevera Allen
Abstract: Accurate ranking of important features is a fundamental challenge in interpretable machine learning with critical applications in scientific discovery and decision-making. Unlike feature selection and feature importance, the specific problem of ranking important features has received considerably less attention. We introduce RAMPART (Ranked Attributions with MiniPatches And Recursive Trimming), a framework that utilizes any existing feature importance measure in a novel algorithm specifically tailored for ranking the top-$k$ features. Our approach combines an adaptive sequential halving strategy that progressively focuses computational resources on promising features with an efficient ensembling technique using both observation and feature subsampling. Unlike existing methods that convert importance scores to ranks as post-processing, our framework explicitly optimizes for ranking accuracy. We provide theoretical guarantees showing that RAMPART achieves the correct top-$k$ ranking with high probability under mild conditions, and demonstrate through extensive simulation studies that RAMPART consistently outperforms popular feature importance methods, concluding with a high-dimensional genomics case study.
Authors: Victor Chard\`es
Abstract: Single-cell RNA-seq provides detailed molecular snapshots of individual cells but is notoriously noisy. Variability stems from biological differences, PCR amplification bias, limited sequencing depth, and low capture efficiency, making it challenging to adapt computational pipelines to heterogeneous datasets or evolving technologies. As a result, most studies still rely on principal component analysis (PCA) for dimensionality reduction, valued for its interpretability and robustness. Here, we improve upon PCA with a Random Matrix Theory (RMT)-based approach that guides the inference of sparse principal components using existing sparse PCA algorithms. We first introduce a novel biwhitening method, inspired by the Sinkhorn-Knopp algorithm, that simultaneously stabilizes variance across genes and cells. This enables the use of an RMT-based criterion to automatically select the sparsity level, rendering sparse PCA nearly parameter-free. Our mathematically grounded approach retains the interpretability of PCA while enabling robust, hands-off inference of sparse principal components. Across seven single-cell RNA-seq technologies and four sparse PCA algorithms, we show that this method systematically improves the reconstruction of the principal subspace and consistently outperforms PCA-, autoencoder-, and diffusion-based methods in cell-type classification tasks.
Authors: Johnny Joyce, Jan Verschelde
Abstract: Neural networks are important tools in machine learning. Representing piecewise linear activation functions with tropical arithmetic enables the application of tropical geometry. Algorithms are presented to compute regions where the neural networks are linear maps. Through computational experiments, we provide insights on the difficulty to train neural networks, in particular on the problems of overfitting and on the benefits of skip connections.
Authors: Saeed Amizadeh, Sara Abdali, Yinheng Li, Kazuhito Koishida
Abstract: Transformers and their attention mechanism have been revolutionary in the field of Machine Learning. While originally proposed for the language data, they quickly found their way to the image, video, graph, etc. data modalities with various signal geometries. Despite this versatility, generalizing the attention mechanism to scenarios where data is presented at different scales from potentially different modalities is not straightforward. The attempts to incorporate hierarchy and multi-modality within transformers are largely based on ad hoc heuristics, which are not seamlessly generalizable to similar problems with potentially different structures. To address this problem, in this paper, we take a fundamentally different approach: we first propose a mathematical construct to represent multi-modal, multi-scale data. We then mathematically derive the neural attention mechanics for the proposed construct from the first principle of entropy minimization. We show that the derived formulation is optimal in the sense of being the closest to the standard Softmax attention while incorporating the inductive biases originating from the hierarchical/geometric information of the problem. We further propose an efficient algorithm based on dynamic programming to compute our derived attention mechanism. By incorporating it within transformers, we show that the proposed hierarchical attention mechanism not only can be employed to train transformer models in hierarchical/multi-modal settings from scratch, but it can also be used to inject hierarchical information into classical, pre-trained transformer models post training, resulting in more efficient models in zero-shot manner.
Authors: Junchen Zhao, Ali Derakhshan, Dushyant Bharadwaj, Jayden Kana Hyman, Junhao Dong, Sangeetha Abdu Jyothi, Ian Harris
Abstract: Large Language Models (LLMs) promise impressive capabilities, yet their multi-billion-parameter scale makes on-device or low-resource deployment prohibitive. Mixed-precision quantization offers a compelling solution, but existing methods struggle when the average precision drops below four bits, as they rely on isolated, layer-specific metrics that overlook critical inter-layer interactions affecting overall performance. In this paper, we propose two innovations to address these limitations. First, we frame the mixed-precision quantization problem as a cooperative game among layers and introduce Shapley-based Progressive Quantization Estimation (SPQE) to efficiently obtain accurate Shapley estimates of layer sensitivities and inter-layer interactions. Second, building upon SPQE, we propose Interaction-aware Mixed-Precision Quantization (IMPQ) which translates these Shapley estimates into a binary quadratic optimization formulation, assigning either 2 or 4-bit precision to layers under strict memory constraints. Comprehensive experiments conducted on Llama-3, Gemma-2, and Qwen-3 models across three independent PTQ backends (Quanto, HQQ, GPTQ) demonstrate IMPQ's scalability and consistently superior performance compared to methods relying solely on isolated metrics. Across average precisions spanning 4 bit down to 2 bit, IMPQ cuts Perplexity by 20 to 80 percent relative to the best baseline, with the margin growing as the bit-width tightens.
Authors: Junhong Lin, Song Wang, Xiaojie Guo, Julian Shun, Yada Zhu
Abstract: Large language models (LLMs) excel at many language understanding tasks but struggle to reason over knowledge that evolves. To address this, recent work has explored augmenting LLMs with knowledge graphs (KGs) to provide structured, up-to-date information. However, many existing approaches assume a static snapshot of the KG and overlook the temporal dynamics and factual inconsistencies inherent in real-world data. To address the challenge of reasoning over temporally shifting knowledge, we propose EvoReasoner, a temporal-aware multi-hop reasoning algorithm that performs global-local entity grounding, multi-route decomposition, and temporally grounded scoring. To ensure that the underlying KG remains accurate and up-to-date, we introduce EvoKG, a noise-tolerant KG evolution module that incrementally updates the KG from unstructured documents through confidence-based contradiction resolution and temporal trend tracking. We evaluate our approach on temporal QA benchmarks and a novel end-to-end setting where the KG is dynamically updated from raw documents. Our method outperforms both prompting-based and KG-enhanced baselines, effectively narrowing the gap between small and large LLMs on dynamic question answering. Notably, an 8B-parameter model using our approach matches the performance of a 671B model prompted seven months later. These results highlight the importance of combining temporal reasoning with KG evolution for robust and up-to-date LLM performance. Our code is publicly available at github.com/junhongmit/TREK.
Authors: Yanan Niu, Demetri Psaltis, Christophe Moser, Luisa Lambertini
Abstract: Accurate solar forecasting underpins effective renewable energy management. We present SolarCAST, a causally informed model predicting future global horizontal irradiance (GHI) at a target site using only historical GHI from site X and nearby stations S - unlike prior work that relies on sky-camera or satellite imagery requiring specialized hardware and heavy preprocessing. To deliver high accuracy with only public sensor data, SolarCAST models three classes of confounding factors behind X-S correlations using scalable neural components: (i) observable synchronous variables (e.g., time of day, station identity), handled via an embedding module; (ii) latent synchronous factors (e.g., regional weather patterns), captured by a spatio-temporal graph neural network; and (iii) time-lagged influences (e.g., cloud movement across stations), modeled with a gated transformer that learns temporal shifts. It outperforms leading time-series and multimodal baselines across diverse geographical conditions, and achieves a 25.9% error reduction over the top commercial forecaster, Solcast. SolarCAST offers a lightweight, practical, and generalizable solution for localized solar forecasting.
Authors: Robson L. F. Cordeiro, Meng-Chieh Lee, Christos Faloutsos
Abstract: Given a set of financial transactions (who buys from whom, when, and for how much), as well as prior information from buyers and sellers, how can we find fraudulent transactions? If we have labels for some transactions for known types of fraud, we can build a classifier. However, we also want to find new types of fraud, still unknown to the domain experts ('Detection'). Moreover, we also want to provide evidence to experts that supports our opinion ('Justification'). In this paper, we propose FRAUDGUESS, to achieve two goals: (a) for 'Detection', it spots new types of fraud as micro-clusters in a carefully designed feature space; (b) for 'Justification', it uses visualization and heatmaps for evidence, as well as an interactive dashboard for deep dives. FRAUDGUESS is used in real life and is currently considered for deployment in an Anonymous Financial Institution (AFI). Thus, we also present the three new behaviors that FRAUDGUESS discovered in a real, million-scale financial dataset. Two of these behaviors are deemed fraudulent or suspicious by domain experts, catching hundreds of fraudulent transactions that would otherwise go un-noticed.
Authors: Yuan Ni, Zhantao Chen, Cheng Peng, Rajan Plumley, Chun Hong Yoon, Jana B. Thayer, Joshua J. Turner
Abstract: Implicit neural representations (INRs) have emerged as a compact and parametric alternative to discrete array-based data representations, encoding information directly in neural network weights to enable resolution-independent representation and memory efficiency. However, existing INR approaches, when constrained to compact network sizes, struggle to faithfully represent the multi-scale structures, high-frequency information, and fine textures that characterize the majority of scientific datasets. To address this limitation, we propose WIEN-INR, a wavelet-informed implicit neural representation that distributes modeling across different resolution scales and employs a specialized kernel network at the finest scale to recover subtle details. This multi-scale architecture allows for the use of smaller networks to retain the full spectrum of information while preserving the training efficiency and reducing storage cost. Through extensive experiments on diverse scientific datasets spanning different scales and structural complexities, WIEN-INR achieves superior reconstruction fidelity while maintaining a compact model size. These results demonstrate WIEN-INR as a practical neural representation framework for high-fidelity scientific data encoding, extending the applicability of INRs to domains where efficient preservation of fine detail is essential.
Authors: Zahra Aref, Narayan B. Mandayam
Abstract: Transformers have emerged as a compelling architecture for sequential decision-making by modeling trajectories via self-attention. In reinforcement learning (RL), they enable return-conditioned control without relying on value function approximation. Decision Transformers (DTs) exploit this by casting RL as supervised sequence modeling, but they are restricted to offline data and lack exploration. Online Decision Transformers (ODTs) address this limitation through entropy-regularized training on on-policy rollouts, offering a stable alternative to traditional RL methods like Soft Actor-Critic, which depend on bootstrapped targets and reward shaping. Despite these advantages, ODTs use standard attention, which lacks explicit memory of action-specific outcomes. This leads to inefficiencies in learning long-term action effectiveness. Inspired by cognitive models such as Experience-Weighted Attraction (EWA), we propose Experience-Weighted Attraction with Vector Quantization for Online Decision Transformers (EWA-VQ-ODT), a lightweight module that maintains per-action mental accounts summarizing recent successes and failures. Continuous actions are routed via direct grid lookup to a compact vector-quantized codebook, where each code stores a scalar attraction updated online through decay and reward-based reinforcement. These attractions modulate attention by biasing the columns associated with action tokens, requiring no change to the backbone or training objective. On standard continuous-control benchmarks, EWA-VQ-ODT improves sample efficiency and average return over ODT, particularly in early training. The module is computationally efficient, interpretable via per-code traces, and supported by theoretical guarantees that bound the attraction dynamics and its impact on attention drift.
Authors: Xiaoshuang Wang, Yifan Lin, Enlu Zhou
Abstract: Motivated by many application problems, we consider Markov decision processes (MDPs) with a general loss function and unknown parameters. To mitigate the epistemic uncertainty associated with unknown parameters, we take a Bayesian approach to estimate the parameters from data and impose a coherent risk functional (with respect to the Bayesian posterior distribution) on the loss. Since this formulation usually does not satisfy the interchangeability principle, it does not admit Bellman equations and cannot be solved by approaches based on dynamic programming. Therefore, We propose a policy gradient optimization method, leveraging the dual representation of coherent risk measures and extending the envelope theorem to continuous cases. We then show the stationary analysis of the algorithm with a convergence rate of $O(T^{-1/2}+r^{-1/2})$, where $T$ is the number of policy gradient iterations and $r$ is the sample size of the gradient estimator. We further extend our algorithm to an episodic setting, and establish the global convergence of the extended algorithm and provide bounds on the number of iterations needed to achieve an error bound $O(\epsilon)$ in each episode.
Authors: Jungjin Lee, Jaeuk Shin, Gihwan Kim, Joonho Han, Insoon Yang
Abstract: We present KoopCast, a lightweight yet efficient model for trajectory forecasting in general dynamic environments. Our approach leverages Koopman operator theory, which enables a linear representation of nonlinear dynamics by lifting trajectories into a higher-dimensional space. The framework follows a two-stage design: first, a probabilistic neural goal estimator predicts plausible long-term targets, specifying where to go; second, a Koopman operator-based refinement module incorporates intention and history into a nonlinear feature space, enabling linear prediction that dictates how to go. This dual structure not only ensures strong predictive accuracy but also inherits the favorable properties of linear operators while faithfully capturing nonlinear dynamics. As a result, our model offers three key advantages: (i) competitive accuracy, (ii) interpretability grounded in Koopman spectral theory, and (iii) low-latency deployment. We validate these benefits on ETH/UCY, the Waymo Open Motion Dataset, and nuScenes, which feature rich multi-agent interactions and map-constrained nonlinear motion. Across benchmarks, KoopCast consistently delivers high predictive accuracy together with mode-level interpretability and practical efficiency.
Authors: Zelong Bi, Pierre Lafaye de Micheaux
Abstract: The manifold hypothesis suggests that high-dimensional data often lie on or near a low-dimensional manifold. Estimating the dimension of this manifold is essential for leveraging its structure, yet existing work on dimension estimation is fragmented and lacks systematic evaluation. This article provides a comprehensive survey for both researchers and practitioners. We review often-overlooked theoretical foundations and present eight representative estimators. Through controlled experiments, we analyze how individual factors such as noise, curvature, and sample size affect performance. We also compare the estimators on diverse synthetic and real-world datasets, introducing a principled approach to dataset-specific hyperparameter tuning. Our results offer practical guidance and suggest that, for a problem of this generality, simpler methods often perform better.
Authors: Chao Li, Bingkun Bao, Yang Gao
Abstract: This paper studies fully decentralized cooperative multi-agent reinforcement learning, where each agent solely observes the states, its local actions, and the shared rewards. The inability to access other agents' actions often leads to non-stationarity during value function updates and relative overgeneralization during value function estimation, hindering effective cooperative policy learning. However, existing works fail to address both issues simultaneously, due to their inability to model the joint policy of other agents in a fully decentralized setting. To overcome this limitation, we propose a novel method named Dynamics-Aware Context (DAC), which formalizes the task, as locally perceived by each agent, as an Contextual Markov Decision Process, and further addresses both non-stationarity and relative overgeneralization through dynamics-aware context modeling. Specifically, DAC attributes the non-stationary local task dynamics of each agent to switches between unobserved contexts, each corresponding to a distinct joint policy. Then, DAC models the step-wise dynamics distribution using latent variables and refers to them as contexts. For each agent, DAC introduces a context-based value function to address the non-stationarity issue during value function update. For value function estimation, an optimistic marginal value is derived to promote the selection of cooperative actions, thereby addressing the relative overgeneralization issue. Experimentally, we evaluate DAC on various cooperative tasks (including matrix game, predator and prey, and SMAC), and its superior performance against multiple baselines validates its effectiveness.
Authors: Peter Amorese, Morteza Lahijanian
Abstract: Predicting the distribution of future states in a stochastic system, known as belief propagation, is fundamental to reasoning under uncertainty. However, nonlinear dynamics often make analytical belief propagation intractable, requiring approximate methods. When the system model is unknown and must be learned from data, a key question arises: can we learn a model that (i) universally approximates general nonlinear stochastic dynamics, and (ii) supports analytical belief propagation? This paper establishes the theoretical foundations for a class of models that satisfy both properties. The proposed approach combines the expressiveness of normalizing flows for density estimation with the analytical tractability of Bernstein polynomials. Empirical results show the efficacy of our learned model over state-of-the-art data-driven methods for belief propagation, especially for highly non-linear systems with non-additive, non-Gaussian noise.
Authors: Xinwen Zhang, Yihan Zhang, Hongchang Gao
Abstract: Existing decentralized stochastic optimization methods assume the lower-level loss function is strongly convex and the stochastic gradient noise has finite variance. These strong assumptions typically are not satisfied in real-world machine learning models. To address these limitations, we develop a novel decentralized stochastic bilevel optimization algorithm for the nonconvex bilevel optimization problem under heavy-tailed noises. Specifically, we develop a normalized stochastic variance-reduced bilevel gradient descent algorithm, which does not rely on any clipping operation. Moreover, we establish its convergence rate by innovatively bounding interdependent gradient sequences under heavy-tailed noises for nonconvex decentralized bilevel optimization problems. As far as we know, this is the first decentralized bilevel optimization algorithm with rigorous theoretical guarantees under heavy-tailed noises. The extensive experimental results confirm the effectiveness of our algorithm in handling heavy-tailed noises.
Authors: Sepehr Dehdashtian, Mashrur M. Morshed, Jacob H. Seidman, Gaurav Bharaj, Vishnu Naresh Boddeti
Abstract: Synthetic image detectors (SIDs) are a key defense against the risks posed by the growing realism of images from text-to-image (T2I) models. Red teaming improves SID's effectiveness by identifying and exploiting their failure modes via misclassified synthetic images. However, existing red-teaming solutions (i) require white-box access to SIDs, which is infeasible for proprietary state-of-the-art detectors, and (ii) generate image-specific attacks through expensive online optimization. To address these limitations, we propose PolyJuice, the first black-box, image-agnostic red-teaming method for SIDs, based on an observed distribution shift in the T2I latent space between samples correctly and incorrectly classified by the SID. PolyJuice generates attacks by (i) identifying the direction of this shift through a lightweight offline process that only requires black-box access to the SID, and (ii) exploiting this direction by universally steering all generated images towards the SID's failure modes. PolyJuice-steered T2I models are significantly more effective at deceiving SIDs (up to 84%) compared to their unsteered counterparts. We also show that the steering directions can be estimated efficiently at lower resolutions and transferred to higher resolutions using simple interpolation, reducing computational overhead. Finally, tuning SID models on PolyJuice-augmented datasets notably enhances the performance of the detectors (up to 30%).
Authors: Wei Lin, Qingyu Song, Hong Xu
Abstract: Zeroth-order (ZO) optimization provides a powerful framework for problems where explicit gradients are unavailable and have to be approximated using only queries to function value. The prevalent single-query approach is simple, but suffers from high estimation variance, motivating a multi-query paradigm to improves estimation accuracy. This, however, creates a critical trade-off: under a fixed budget of queries (i.e. cost), queries per iteration and the total number of optimization iterations are inversely proportional to one another. How to best allocate this budget is a fundamental, under-explored question. This work systematically resolves this query allocation problem. We analyze two aggregation methods: the de facto simple averaging (ZO-Avg), and a new Projection Alignment method (ZO-Align) we derive from local surrogate minimization. By deriving convergence rates for both methods that make the dependence on the number of queries explicit across strongly convex, convex, non-convex, and stochastic settings, we uncover a stark dichotomy: For ZO-Avg, we prove that using more than one query per iteration is always query-inefficient, rendering the single-query approach optimal. On the contrary, ZO-Align generally performs better with more queries per iteration, resulting in a full-subspace estimation as the optimal approach. Thus, our work clarifies that the multi-query problem boils down to a choice not about an intermediate query size, but between two classic algorithms, a choice dictated entirely by the aggregation method used. These theoretical findings are also consistently validated by extensive experiments.
Authors: Mirza Farhan Bin Tarek, Rahmatollah Beheshti
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has recently shown that large language models (LLMs) can develop their own reasoning without direct supervision. However, applications in the medical domain, specifically for question answering, are susceptible to significant reward hacking during the reasoning phase. Our work addresses two primary forms of this behavior: i) providing a final answer without preceding reasoning, and ii) employing non-standard reasoning formats to exploit the reward mechanism. To mitigate these, we introduce a composite reward function with specific penalties for these behaviors. Our experiments show that extending RLVR with our proposed reward model leads to better-formatted reasoning with less reward hacking and good accuracy compared to the baselines. This approach marks a step toward reducing reward hacking and enhancing the reliability of models utilizing RLVR.
Authors: Om Naphade, Saksham Bansal, Parikshit Pareek
Abstract: Hyper-parameter Tuning (HPT) is a necessary step in machine learning (ML) pipelines but becomes computationally expensive and opaque with larger models. Recently, Large Language Models (LLMs) have been explored for HPT, yet most rely on models exceeding 100 billion parameters. We propose an Expert Block Framework for HPT using Small LLMs. At its core is the Trajectory Context Summarizer (TCS), a deterministic block that transforms raw training trajectories into structured context, enabling small LLMs to analyze optimization progress with reliability comparable to larger models. Using two locally-run LLMs (phi4:reasoning14B and qwen2.5-coder:32B) and a 10-trial budget, our TCS-enabled HPT pipeline achieves average performance within ~0.9 percentage points of GPT-4 across six diverse tasks.
Authors: Akanksha Sarkar, Been Kim, Jennifer J. Sun
Abstract: Novel class discovery is essential for ML models to adapt to evolving real-world data, with applications ranging from scientific discovery to robotics. However, these datasets contain complex and entangled factors of variation, making a systematic study of class discovery difficult. As a result, many fundamental questions are yet to be answered on why and when new class discoveries are more likely to be successful. To address this, we propose a simple controlled experimental framework using the dSprites dataset with procedurally generated modifying factors. This allows us to investigate what influences successful class discovery. In particular, we study the relationship between the number of known/unknown classes and discovery performance, as well as the impact of known class 'coverage' on discovering new classes. Our empirical results indicate that the benefit of the number of known classes reaches a saturation point beyond which discovery performance plateaus. The pattern of diminishing return across different settings provides an insight for cost-benefit analysis for practitioners and a starting point for more rigorous future research of class discovery on complex real-world datasets.
Authors: Zinan Lin, Enshu Liu, Xuefei Ning, Junyi Zhu, Wenyu Wang, Sergey Yekhanin
Abstract: Generative modeling, representation learning, and classification are three core problems in machine learning (ML), yet their state-of-the-art (SoTA) solutions remain largely disjoint. In this paper, we ask: Can a unified principle address all three? Such unification could simplify ML pipelines and foster greater synergy across tasks. We introduce Latent Zoning Network (LZN) as a step toward this goal. At its core, LZN creates a shared Gaussian latent space that encodes information across all tasks. Each data type (e.g., images, text, labels) is equipped with an encoder that maps samples to disjoint latent zones, and a decoder that maps latents back to data. ML tasks are expressed as compositions of these encoders and decoders: for example, label-conditional image generation uses a label encoder and image decoder; image embedding uses an image encoder; classification uses an image encoder and label decoder. We demonstrate the promise of LZN in three increasingly complex scenarios: (1) LZN can enhance existing models (image generation): When combined with the SoTA Rectified Flow model, LZN improves FID on CIFAR10 from 2.76 to 2.59-without modifying the training objective. (2) LZN can solve tasks independently (representation learning): LZN can implement unsupervised representation learning without auxiliary loss functions, outperforming the seminal MoCo and SimCLR methods by 9.3% and 0.2%, respectively, on downstream linear classification on ImageNet. (3) LZN can solve multiple tasks simultaneously (joint generation and classification): With image and label encoders/decoders, LZN performs both tasks jointly by design, improving FID and achieving SoTA classification accuracy on CIFAR10. The code and trained models are available at https://github.com/microsoft/latent-zoning-networks. The project website is at https://zinanlin.me/blogs/latent_zoning_networks.html.
URLs: https://github.com/microsoft/latent-zoning-networks., https://zinanlin.me/blogs/latent_zoning_networks.html.
Authors: Jizhou Huang, Brendan Juba
Abstract: In machine learning applications, predictive models are trained to serve future queries across the entire data distribution. Real-world data often demands excessively complex models to achieve competitive performance, however, sacrificing interpretability. Hence, the growing deployment of machine learning models in high-stakes applications, such as healthcare, motivates the search for methods for accurate and explainable predictions. This work proposes a Personalized Prediction scheme, where an easy-to-interpret predictor is learned per query. In particular, we wish to produce a "sparse linear" classifier with competitive performance specifically on some sub-population that includes the query point. The goal of this work is to study the PAC-learnability of this prediction model for sub-populations represented by "halfspaces" in a label-agnostic setting. We first give a distribution-specific PAC-learning algorithm for learning reference classes for personalized prediction. By leveraging both the reference-class learning algorithm and a list learner of sparse linear representations, we prove the first upper bound, $O(\mathrm{opt}^{1/4} )$, for personalized prediction with sparse linear classifiers and homogeneous halfspace subsets. We also evaluate our algorithms on a variety of standard benchmark data sets.
Authors: Sajib Biswas, Milon Biswas, Arunima Mandal, Fatema Tabassum Liza, Joy Sarker
Abstract: In the age of information overload, content management for online news articles relies on efficient summarization to enhance accessibility and user engagement. This article addresses the challenge of extractive text summarization by employing advanced machine learning techniques to generate concise and coherent summaries while preserving the original meaning. Using the Cornell Newsroom dataset, comprising 1.3 million article-summary pairs, we developed a pipeline leveraging BERT embeddings to transform textual data into numerical representations. By framing the task as a binary classification problem, we explored various models, including logistic regression, feed-forward neural networks, and long short-term memory (LSTM) networks. Our findings demonstrate that LSTM networks, with their ability to capture sequential dependencies, outperform baseline methods like Lede-3 and simpler models in F1 score and ROUGE-1 metrics. This study underscores the potential of automated summarization in improving content management systems for online news platforms, enabling more efficient content organization and enhanced user experiences.
Authors: Mohammad Emtiyaz Khan
Abstract: We highlight a fundamental connection between information geometry and variational Bayes (VB) and discuss its consequences for machine learning. Under certain conditions, a VB solution always requires estimation or computation of natural gradients. We show several consequences of this fact by using the natural-gradient descent algorithm of Khan and Rue (2023) called the Bayesian Learning Rule (BLR). These include (i) a simplification of Bayes' rule as addition of natural gradients, (ii) a generalization of quadratic surrogates used in gradient-based methods, and (iii) a large-scale implementation of VB algorithms for large language models. Neither the connection nor its consequences are new but we further emphasize the common origins of the two fields of information geometry and Bayes with a hope to facilitate more work at the intersection of the two fields.
Authors: Yuchen Zhang, Mohammad Mohammadi Amiri
Abstract: Assessing the impact the training data on machine learning models is crucial for understanding the behavior of the model, enhancing the transparency, and selecting training data. Influence function provides a theoretical framework for quantifying the effect of training data points on model's performance given a specific test data. However, the computational and memory costs of influence function presents significant challenges, especially for large-scale models, even when using approximation methods, since the gradients involved in computation are as large as the model itself. In this work, we introduce a novel approach that leverages dropout as a gradient compression mechanism to compute the influence function more efficiently. Our method significantly reduces computational and memory overhead, not only during the influence function computation but also in gradient compression process. Through theoretical analysis and empirical validation, we demonstrate that our method could preserves critical components of the data influence and enables its application to modern large-scale models.
Authors: Kyohei Suzuki, Konstantinos Slavakis
Abstract: This work proposes an efficient batch algorithm for feature selection in reinforcement learning (RL) with theoretical convergence guarantees. To mitigate the estimation bias inherent in conventional regularization schemes, the first contribution extends policy evaluation within the classical least-squares temporal-difference (LSTD) framework by formulating a Bellman-residual objective regularized with the sparsity-inducing, nonconvex projected minimax concave (PMC) penalty. Owing to the weak convexity of the PMC penalty, this formulation can be interpreted as a special instance of a general nonmonotone-inclusion problem. The second contribution establishes novel convergence conditions for the forward-reflected-backward splitting (FRBS) algorithm to solve this class of problems. Numerical experiments on benchmark datasets demonstrate that the proposed approach substantially outperforms state-of-the-art feature-selection methods, particularly in scenarios with many noisy features.
Authors: Vishnu Narayanan Moothedath, Umang Agarwal, Umeshraja N, James Richard Gross, Jaya Prakash Champati, Sharayu Moharir
Abstract: We focus on a binary classification problem in an edge intelligence system where false negatives are more costly than false positives. The system has a compact, locally deployed model, which is supplemented by a larger, remote model, which is accessible via the network by incurring an offloading cost. For each sample, our system first uses the locally deployed model for inference. Based on the output of the local model, the sample may be offloaded to the remote model. This work aims to understand the fundamental trade-off between classification accuracy and these offloading costs within such a hierarchical inference (HI) system. To optimize this system, we propose an online learning framework that continuously adapts a pair of thresholds on the local model's confidence scores. These thresholds determine the prediction of the local model and whether a sample is classified locally or offloaded to the remote model. We present a closed-form solution for the setting where the local model is calibrated. For the more general case of uncalibrated models, we introduce H2T2, an online two-threshold hierarchical inference policy, and prove it achieves sublinear regret. H2T2 is model-agnostic, requires no training, and learns in the inference phase using limited feedback. Simulations on real-world datasets show that H2T2 consistently outperforms naive and single-threshold HI policies, sometimes even surpassing offline optima. The policy also demonstrates robustness to distribution shifts and adapts effectively to mismatched classifiers.
Authors: Vaibhav Singh, Soumya Suvra Ghosal, Kapu Nirmal Joshua, Soumyabrata Pal, Sayak Ray Chowdhury
Abstract: In-context learning (ICL) has emerged as a powerful paradigm for adapting large language models (LLMs) to new and data-scarce tasks using only a few carefully selected task-specific examples presented in the prompt. However, given the limited context size of LLMs, a fundamental question arises: Which examples should be selected to maximize performance on a given user query? While nearest-neighbor-based methods like KATE have been widely adopted for this purpose, they suffer from well-known drawbacks in high-dimensional embedding spaces, including poor generalization and a lack of diversity. In this work, we study this problem of example selection in ICL from a principled, information theory-driven perspective. We first model an LLM as a linear function over input embeddings and frame the example selection task as a query-specific optimization problem: selecting a subset of exemplars from a larger example bank that minimizes the prediction error on a specific query. This formulation departs from traditional generalization-focused learning theoretic approaches by targeting accurate prediction for a specific query instance. We derive a principled surrogate objective that is approximately submodular, enabling the use of a greedy algorithm with an approximation guarantee. We further enhance our method by (i) incorporating the kernel trick to operate in high-dimensional feature spaces without explicit mappings, and (ii) introducing an optimal design-based regularizer to encourage diversity in the selected examples. Empirically, we demonstrate significant improvements over standard retrieval methods across a suite of classification tasks, highlighting the benefits of structure-aware, diverse example selection for ICL in real-world, label-scarce scenarios.
Authors: Davide Ettori, Nastaran Darabi, Sureshkumar Senthilkumar, Amit Ranjan Trivedi
Abstract: Large deep learning models such as BERT and ResNet achieve state-of-the-art performance but are costly to deploy at the edge due to their size and compute demands. We present RMT-KD, a compression method that leverages Random Matrix Theory (RMT) for knowledge distillation to iteratively reduce network size. Instead of pruning or heuristic rank selection, RMT-KD preserves only informative directions identified via the spectral properties of hidden representations. RMT-based causal reduction is applied layer by layer with self-distillation to maintain stability and accuracy. On GLUE, AG News, and CIFAR-10, RMT-KD achieves up to 80% parameter reduction with only 2% accuracy loss, delivering 2.8x faster inference and nearly halved power consumption. These results establish RMT-KD as a mathematically grounded approach to network distillation.
Authors: Davide Ettori, Nastaran Darabi, Sina Tayebati, Ranganath Krishnan, Mahesh Subedar, Omesh Tickoo, Amit Ranjan Trivedi
Abstract: Large language models (LLMs) offer broad utility but remain prone to hallucination and out-of-distribution (OOD) errors. We propose EigenTrack, an interpretable real-time detector that uses the spectral geometry of hidden activations, a compact global signature of model dynamics. By streaming covariance-spectrum statistics such as entropy, eigenvalue gaps, and KL divergence from random baselines into a lightweight recurrent classifier, EigenTrack tracks temporal shifts in representation structure that signal hallucination and OOD drift before surface errors appear. Unlike black- and grey-box methods, it needs only a single forward pass without resampling. Unlike existing white-box detectors, it preserves temporal context, aggregates global signals, and offers interpretable accuracy-latency trade-offs.
Authors: Gabriel Jarry, Ramon Dalmau, Philippe Very, Junzi Sun
Abstract: Accurate modelling of aircraft fuel-flow is crucial for both operational planning and environmental impact assessment, yet standard parametric models often neglect performance deterioration that occurs as aircraft age. This paper investigates multiple approaches to integrate engine ageing effects into fuel-flow prediction for the Airbus A320-214, using a comprehensive dataset of approximately nineteen thousand Quick Access Recorder flights from nine distinct airframes with varying years in service. We systematically evaluate classical physics-based models, empirical correction coefficients, and data-driven neural network architectures that incorporate age either as an input feature or as an explicit multiplicative bias. Results demonstrate that while baseline models consistently underestimate fuel consumption for older aircraft, the use of age-dependent correction factors and neural models substantially reduces bias and improves prediction accuracy. Nevertheless, limitations arise from the small number of airframes and the lack of detailed maintenance event records, which constrain the representativeness and generalization of age-based corrections. This study emphasizes the importance of accounting for the effects of ageing in parametric and machine learning frameworks to improve the reliability of operational and environmental assessments. The study also highlights the need for more diverse datasets that can capture the complexity of real-world engine deterioration.
Authors: Musen Lin, Minghao Liu, Taoran Lu, Lichen Yuan, Yiwei Liu, Haonan Xu, Yu Miao, Yuhao Chao, Zhaojian Li
Abstract: Graphical User Interface (GUI) Agents, powered by large language and vision-language models, hold promise for enabling end-to-end automation in digital environments. However, their progress is fundamentally constrained by the scarcity of scalable, high-quality trajectory data. Existing data collection strategies either rely on costly and inconsistent manual annotations or on synthetic generation methods that trade off between diversity and meaningful task coverage. To bridge this gap, we present GUI-ReWalk: a reasoning-enhanced, multi-stage framework for synthesizing realistic and diverse GUI trajectories. GUI-ReWalk begins with a stochastic exploration phase that emulates human trial-and-error behaviors, and progressively transitions into a reasoning-guided phase where inferred goals drive coherent and purposeful interactions. Moreover, it supports multi-stride task generation, enabling the construction of long-horizon workflows across multiple applications. By combining randomness for diversity with goal-aware reasoning for structure, GUI-ReWalk produces data that better reflects the intent-aware, adaptive nature of human-computer interaction. We further train Qwen2.5-VL-7B on the GUI-ReWalk dataset and evaluate it across multiple benchmarks, including Screenspot-Pro, OSWorld-G, UI-Vision, AndroidControl, and GUI-Odyssey. Results demonstrate that GUI-ReWalk enables superior coverage of diverse interaction flows, higher trajectory entropy, and more realistic user intent. These findings establish GUI-ReWalk as a scalable and data-efficient framework for advancing GUI agent research and enabling robust real-world automation.
Authors: Jonathan Adam Rico, Nagarajan Raghavan, Senthilnath Jayavelu
Abstract: Data-driven models accurately perform early battery prognosis to prevent equipment failure and further safety hazards. Most existing machine learning (ML) models work in offline mode which must consider their retraining post-deployment every time new data distribution is encountered. Hence, there is a need for an online ML approach where the model can adapt to varying distributions. However, existing online incremental multistep forecasts are a great challenge as there is no way to correct the model of its forecasts at the current instance. Also, these methods need to wait for a considerable amount of time to acquire enough streaming data before retraining. In this study, we propose iFSNet (incremental Fast and Slow learning Network) which is a modified version of FSNet for a single-pass mode (sample-by-sample) to achieve multistep forecasting using pseudo targets. It uses a simple linear regressor of the input sequence to extrapolate pseudo future samples (pseudo targets) and calculate the loss from the rest of the forecast and keep updating the model. The model benefits from the associative memory and adaptive structure mechanisms of FSNet, at the same time the model incrementally improves by using pseudo targets. The proposed model achieved 0.00197 RMSE and 0.00154 MAE on datasets with smooth degradation trajectories while it achieved 0.01588 RMSE and 0.01234 MAE on datasets having irregular degradation trajectories with capacity regeneration spikes.
Authors: Mohit Sharma, Amit Jayant Deshpande, Chiranjib Bhattacharyya, Rajiv Ratn Shah
Abstract: To fix the 'bias in, bias out' problem in fair machine learning, it is important to steer feature distributions of data or internal representations of Large Language Models (LLMs) to ideal ones that guarantee group-fair outcomes. Previous work on fair generative models and representation steering could greatly benefit from provable fairness guarantees on the model output. We define a distribution as ideal if the minimizer of any cost-sensitive risk on it is guaranteed to have exact group-fair outcomes (e.g., demographic parity, equal opportunity)-in other words, it has no fairness-utility trade-off. We formulate an optimization program for optimal steering by finding the nearest ideal distribution in KL-divergence, and provide efficient algorithms for it when the underlying distributions come from well-known parametric families (e.g., normal, log-normal). Empirically, our optimal steering techniques on both synthetic and real-world datasets improve fairness without diminishing utility (and sometimes even improve utility). We demonstrate affine steering of LLM representations to reduce bias in multi-class classification, e.g., occupation prediction from a short biography in Bios dataset (De-Arteaga et al.). Furthermore, we steer internal representations of LLMs towards desired outputs so that it works equally well across different groups.
Authors: Philipp Andelfinger, Jieyi Bi, Qiuyu Zhu, Jianan Zhou, Bo Zhang, Fei Fei Zhang, Chew Wye Chan, Boon Ping Gan, Wentong Cai, Jie Zhang
Abstract: In manufacturing, capacity planning is the process of allocating production resources in accordance with variable demand. The current industry practice in semiconductor manufacturing typically applies heuristic rules to prioritize actions, such as future change lists that account for incoming machine and recipe dedications. However, while offering interpretability, heuristics cannot easily account for the complex interactions along the process flow that can gradually lead to the formation of bottlenecks. Here, we present a neural network-based model for capacity planning on the level of individual machines, trained using deep reinforcement learning. By representing the policy using a heterogeneous graph neural network, the model directly captures the diverse relationships among machines and processing steps, allowing for proactive decision-making. We describe several measures taken to achieve sufficient scalability to tackle the vast space of possible machine-level actions. Our evaluation results cover Intel's small-scale Minifab model and preliminary experiments using the popular SMT2020 testbed. In the largest tested scenario, our trained policy increases throughput and decreases cycle time by about 1.8% each.
Authors: Kangcheng Li, Yunwen Lei
Abstract: The Lookahead optimizer enhances deep learning models by employing a dual-weight update mechanism, which has been shown to improve the performance of underlying optimizers such as SGD. However, most theoretical studies focus on its convergence on training data, leaving its generalization capabilities less understood. Existing generalization analyses are often limited by restrictive assumptions, such as requiring the loss function to be globally Lipschitz continuous, and their bounds do not fully capture the relationship between optimization and generalization. In this paper, we address these issues by conducting a rigorous stability and generalization analysis of the Lookahead optimizer with minibatch SGD. We leverage on-average model stability to derive generalization bounds for both convex and strongly convex problems without the restrictive Lipschitzness assumption. Our analysis demonstrates a linear speedup with respect to the batch size in the convex setting.
Authors: Xuefeng Liu, Mingxuan Cao, Songhao Jiang, Xiao Luo, Xiaotian Duan, Mengdi Wang, Tobin R. Sosnick, Jinbo Xu, Rick Stevens
Abstract: The goal of protein design is to generate amino acid sequences that fold into functional structures with desired properties. Prior methods combining autoregressive language models with Monte Carlo Tree Search (MCTS) struggle with long-range dependencies and suffer from an impractically large search space. We propose MCTD-ME, Monte Carlo Tree Diffusion with Multiple Experts, which integrates masked diffusion models with tree search to enable multi-token planning and efficient exploration. Unlike autoregressive planners, MCTD-ME uses biophysical-fidelity-enhanced diffusion denoising as the rollout engine, jointly revising multiple positions and scaling to large sequence spaces. It further leverages experts of varying capacities to enrich exploration, guided by a pLDDT-based masking schedule that targets low-confidence regions while preserving reliable residues. We propose a novel multi-expert selection rule (PH-UCT-ME) extends predictive-entropy UCT to expert ensembles. On the inverse folding task (CAMEO and PDB benchmarks), MCTD-ME outperforms single-expert and unguided baselines in both sequence recovery (AAR) and structural similarity (scTM), with gains increasing for longer proteins and benefiting from multi-expert guidance. More generally, the framework is model-agnostic and applicable beyond inverse folding, including de novo protein engineering and multi-objective molecular generation.
Authors: Chen Wang, Zeyuan Ma, Zhiguang Cao, Yue-Jiao Gong
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: Yinglong Zou, Juan Zhai, Chunrong Fang, Zhenyu Chen
Abstract: Deep learning models play a vital role in autonomous driving systems, supporting critical functions such as environmental perception. To accelerate model inference, these deep learning models' deployment relies on automotive deep learning frameworks, for example, PaddleInference in Apollo and TensorRT in AutoWare. However, unlike deploying deep learning models on the cloud, vehicular environments experience extreme ambient temperatures varying from -40{\deg}C to 50{\deg}C, significantly impacting GPU temperature. Additionally, heats generated when computing further lead to the GPU temperature increase. These temperature fluctuations lead to dynamic GPU frequency adjustments through mechanisms such as DVFS. However, automotive deep learning frameworks are designed without considering the impact of temperature-induced frequency variations. When deployed on temperature-varying GPUs, these frameworks suffer critical quality issues: compute-intensive operators face delays or errors, high/mixed-precision operators suffer from precision errors, and time-series operators suffer from synchronization issues. The above quality issues cannot be detected by existing deep learning framework testing methods because they ignore temperature's effect on the deep learning framework quality. To bridge this gap, we propose ThermalGuardian, the first automotive deep learning framework testing method under temperature-varying environments. Specifically, ThermalGuardian generates test input models using model mutation rules targeting temperature-sensitive operators, simulates GPU temperature fluctuations based on Newton's law of cooling, and controls GPU frequency based on real-time GPU temperature.
Authors: Da Chang, Yongxiang Liu, Ganzhao Yuan
Abstract: The Muon optimizer has demonstrated remarkable empirical success in handling matrix-structured parameters for training neural networks. However, a significant gap persists between its practical performance and theoretical understanding. Existing analyses indicate that the standard Muon variant achieves only a suboptimal convergence rate of $\mathcal{O}(T^{-1/4})$ in stochastic non-convex settings, where $T$ denotes the number of iterations. To explore the theoretical limits of the Muon framework, we construct and analyze a variance-reduced variant, termed Muon-VR2. We provide the first rigorous proof that incorporating a variance-reduction mechanism enables Muon-VR2 to attain an optimal convergence rate of $\tilde{\mathcal{O}}(T^{-1/3})$, thereby matching the theoretical lower bound for this class of problems. Moreover, our analysis establishes convergence guarantees for Muon variants under the Polyak-{\L}ojasiewicz (P{\L}) condition. Extensive experiments on vision (CIFAR-10) and language (C4) benchmarks corroborate our theoretical findings on per-iteration convergence. Overall, this work provides the first proof of optimality for a Muon-style optimizer and clarifies the path toward developing more practically efficient, accelerated variants.
Authors: Baptiste Schubnel, Jelena Simeunovi\'c, Corentin Tissier, Pierre-Jean Alet, Rafael E. Carrillo
Abstract: Accurate day-ahead forecasts of solar irradiance are required for the large-scale integration of solar photovoltaic (PV) systems into the power grid. However, current forecasting solutions lack the temporal and spatial resolution required by system operators. In this paper, we introduce SolarCrossFormer, a novel deep learning model for day-ahead irradiance forecasting, that combines satellite images and time series from a ground-based network of meteorological stations. SolarCrossFormer uses novel graph neural networks to exploit the inter- and intra-modal correlations of the input data and improve the accuracy and resolution of the forecasts. It generates probabilistic forecasts for any location in Switzerland with a 15-minute resolution for horizons up to 24 hours ahead. One of the key advantages of SolarCrossFormer its robustness in real life operations. It can incorporate new time-series data without retraining the model and, additionally, it can produce forecasts for locations without input data by using only their coordinates. Experimental results over a dataset of one year and 127 locations across Switzerland show that SolarCrossFormer yield a normalized mean absolute error of 6.1 % over the forecasting horizon. The results are competitive with those achieved by a commercial numerical weather prediction service.
Authors: Ning Xu, Junkai Zhang, Yang Wu, Huigen Ye, Hua Xu, Huiling Xu, Yifan Zhang
Abstract: Directly solving large-scale Integer Linear Programs (ILPs) using traditional solvers is slow due to their NP-hard nature. While recent frameworks based on Large Neighborhood Search (LNS) can accelerate the solving process, their performance is often constrained by the difficulty in generating sufficiently effective neighborhoods. To address this challenge, we propose HyP-ASO, a hybrid policy-based adaptive search optimization framework that combines a customized formula with deep Reinforcement Learning (RL). The formula leverages feasible solutions to calculate the selection probabilities for each variable in the neighborhood generation process, and the RL policy network predicts the neighborhood size. Extensive experiments demonstrate that HyP-ASO significantly outperforms existing LNS-based approaches for large-scale ILPs. Additional experiments show it is lightweight and highly scalable, making it well-suited for solving large-scale ILPs.
Authors: Alina Kostromina, Kseniia Kuvshinova, Aleksandr Yugay, Andrey Savchenko, Dmitry Simakov
Abstract: While current time series research focuses on developing new models, crucial questions of selecting an optimal approach for training such models are underexplored. Tsururu, a Python library introduced in this paper, bridges SoTA research and industry by enabling flexible combinations of global and multivariate approaches and multi-step-ahead forecasting strategies. It also enables seamless integration with various forecasting models. Available at https://github.com/sb-ai-lab/tsururu .
Authors: Kristina P. Sinaga
Abstract: In the realm of distributed AI and privacy-focused medical applications, we propose a framework for multi-view clustering that links quantum field theory with federated healthcare analytics. Our method uses heat-kernel coefficients from spectral analysis to convert Euclidean distances into geometry-aware similarity measures, capturing the structure of diverse medical data. We lay this out through the Heat Kernel Distance (HKD) transformation with convergence guarantees. Two algorithms are developed: Heat Kernel-Enhanced Multi-View Fuzzy Clustering (HK-MVFC) for central analysis, and Federated Heat Kernel Multi-View Fuzzy Clustering (FedHK-MVFC) for secure, privacy-preserving learning across hospitals using differential privacy and secure aggregation to facilitate HIPAA-compliant collaboration. Tests on synthetic datasets of cardiovascular patients show an $8-12 \%$ increase in clustering accuracy, $70 \%$ reduced communication, and $98.2 \%$ efficiency retention over centralized methods. Validated on 10,000 patient records across two hospitals, it proves useful for collaborative phenotyping involving ECG, cardiac imaging, and behavioral data. Our theoretical contributions include update rules with proven convergence, adaptive view weighting, and privacy-preserving protocols. This presents a new standard for geometry-aware federated learning in healthcare, turning advanced math into workable solutions for analyzing sensitive medical data while ensuring both rigor and clinical relevance.
Authors: Rikuto Kotoge, Zheng Chen, Tasuku Kimura, Yasuko Matsubara, Takufumi Yanagisawa, Haruhiko Kishima, Yasushi Sakurai
Abstract: Dynamic GNNs, which integrate temporal and spatial features in Electroencephalography (EEG) data, have shown great potential in automating seizure detection. However, fully capturing the underlying dynamics necessary to represent brain states, such as seizure and non-seizure, remains a non-trivial task and presents two fundamental challenges. First, most existing dynamic GNN methods are built on temporally fixed static graphs, which fail to reflect the evolving nature of brain connectivity during seizure progression. Second, current efforts to jointly model temporal signals and graph structures and, more importantly, their interactions remain nascent, often resulting in inconsistent performance. To address these challenges, we present the first theoretical analysis of these two problems, demonstrating the effectiveness and necessity of explicit dynamic modeling and time-then-graph dynamic GNN method. Building on these insights, we propose EvoBrain, a novel seizure detection model that integrates a two-stream Mamba architecture with a GCN enhanced by Laplacian Positional Encoding, following neurological insights. Moreover, EvoBrain incorporates explicitly dynamic graph structures, allowing both nodes and edges to evolve over time. Our contributions include (a) a theoretical analysis proving the expressivity advantage of explicit dynamic modeling and time-then-graph over other approaches, (b) a novel and efficient model that significantly improves AUROC by 23% and F1 score by 30%, compared with the dynamic GNN baseline, and (c) broad evaluations of our method on the challenging early seizure prediction tasks.
Authors: Nakul Sharma
Abstract: Imbalanced classification datasets pose significant challenges in machine learning, often leading to biased models that perform poorly on underrepresented classes. With the rise of foundation models, recent research has focused on the full, partial, and parameter-efficient fine-tuning of these models to deal with long-tail classification. Despite the impressive performance of these works on the benchmark datasets, they still fail to close the gap with the networks trained using the balanced datasets and still require substantial computational resources, even for relatively smaller datasets. Underscoring the importance of computational efficiency and simplicity, in this work we propose a novel framework that leverages the rich semantic latent space of Vision Foundation Models to generate synthetic data and train a simple linear classifier using a mixture of real and synthetic data for long-tail classification. The computational efficiency gain arises from the number of trainable parameters that are reduced to just the number of parameters in the linear model. Our method sets a new state-of-the-art for the CIFAR-100-LT benchmark and demonstrates strong performance on the Places-LT benchmark, highlighting the effectiveness and adaptability of our simple and effective approach.
Authors: Van-Tuan Tran, Hong-Hanh Nguyen-Le, Quoc-Viet Pham
Abstract: Neural networks unintentionally memorize training data, creating privacy risks in federated learning (FL) systems, such as inference and reconstruction attacks on sensitive data. To mitigate these risks and to comply with privacy regulations, Federated Unlearning (FU) has been introduced to enable participants in FL systems to remove their data's influence from the global model. However, current FU methods primarily act post-hoc, struggling to efficiently erase information deeply memorized by neural networks. We argue that effective unlearning necessitates a paradigm shift: designing FL systems inherently amenable to forgetting. To this end, we propose a learning-to-unlearn Transformation-guided Federated Unlearning (ToFU) framework that incorporates transformations during the learning process to reduce memorization of specific instances. Our theoretical analysis reveals how transformation composition provably bounds instance-specific information, directly simplifying subsequent unlearning. Crucially, ToFU can work as a plug-and-play framework that improves the performance of existing FU methods. Experiments on CIFAR-10, CIFAR-100, and the MUFAC benchmark show that ToFU outperforms existing FU baselines, enhances performance when integrated with current methods, and reduces unlearning time.
Authors: Haoran Zhao, Tong Bai, Lei Huang, Xiaoyu Liang
Abstract: Diffusion models manifest evident benefits across diverse domains, yet their high sampling cost, requiring dozens of sequential model evaluations, remains a major limitation. Prior efforts mainly accelerate sampling via optimized solvers or distillation, which treat each query independently. In contrast, we reduce total number of steps by sharing early-stage sampling across semantically similar queries. To enable such efficiency gains without sacrificing quality, we propose SAGE, a semantic-aware shared sampling framework that integrates a shared sampling scheme for efficiency and a tailored training strategy for quality preservation. Extensive experiments show that SAGE reduces sampling cost by 25.5%, while improving generation quality with 5.0% lower FID, 5.4% higher CLIP, and 160% higher diversity over baselines.
Authors: Henning H\"ofener (Fraunhofer Institute for Digital Medicine MEVIS, Bremen, Germany), Farina Kock (Fraunhofer Institute for Digital Medicine MEVIS, Bremen, Germany), Martina Pontones (Department of Pediatrics and Adolescent Medicine, University Hospital Erlangen, Erlangen, Germany), Tabita Ghete (Department of Pediatrics and Adolescent Medicine, University Hospital Erlangen, Erlangen, Germany, Bavarian Cancer Research Center), David Pfrang (Fraunhofer Institute for Digital Medicine MEVIS, Bremen, Germany), Nicholas Dickel (Medical Informatics, Friedrich-Alexander University of Erlangen-N\"urnberg, Erlangen, Germany), Meik Kunz (Medical Informatics, Friedrich-Alexander University of Erlangen-N\"urnberg, Erlangen, Germany), Daniela P. Schacherer (Fraunhofer Institute for Digital Medicine MEVIS, Bremen, Germany), David A. Clunie (PixelMed Publishing LLC, Bangor, PA, USA), Andrey Fedorov (Department of Radiology, Brigham and Women's Hospital and Harvard Medical School, Boston, MA, USA), Max Westphal (Fraunhofer Institute for Digital Medicine MEVIS, Bremen, Germany), Markus Metzler (Department of Pediatrics and Adolescent Medicine, University Hospital Erlangen, Erlangen, Germany, Bavarian Cancer Research Center, Comprehensive Cancer Center Erlangen-EMN, Erlangen, Germany)
Abstract: Leukemia diagnosis primarily relies on manual microscopic analysis of bone marrow morphology supported by additional laboratory parameters, making it complex and time consuming. While artificial intelligence (AI) solutions have been proposed, most utilize private datasets and only cover parts of the diagnostic pipeline. Therefore, we present a large, high-quality, publicly available leukemia bone marrow dataset spanning the entire diagnostic process, from cell detection to diagnosis. Using this dataset, we further propose methods for cell detection, cell classification, and diagnosis prediction. The dataset comprises 246 pediatric patients with diagnostic, clinical and laboratory information, over 40 000 cells with bounding box annotations and more than 28 000 of these with high-quality class labels, making it the most comprehensive dataset publicly available. Evaluation of the AI models yielded an average precision of 0.96 for the cell detection, an area under the curve of 0.98, and an F1-score of 0.61 for the 33-class cell classification, and a mean F1-score of 0.90 for the diagnosis prediction using predicted cell counts. While the proposed approaches demonstrate their usefulness for AI-assisted diagnostics, the dataset will foster further research and development in the field, ultimately contributing to more precise diagnoses and improved patient outcomes.
Authors: Remo Sasso, Michelangelo Conserva, Dominik Jeurissen, Paulo Rauber
Abstract: While reinforcement learning from scratch has shown impressive results in solving sequential decision-making tasks with efficient simulators, real-world applications with expensive interactions require more sample-efficient agents. Foundation models (FMs) are natural candidates to improve sample efficiency as they possess broad knowledge and reasoning capabilities, but it is yet unclear how to effectively integrate them into the reinforcement learning framework. In this paper, we anticipate and, most importantly, evaluate two promising strategies. First, we consider the use of foundation world models (FWMs) that exploit the prior knowledge of FMs to enable training and evaluating agents with simulated interactions. Second, we consider the use of foundation agents (FAs) that exploit the reasoning capabilities of FMs for decision-making. We evaluate both approaches empirically in a family of grid-world environments that are suitable for the current generation of large language models (LLMs). Our results suggest that improvements in LLMs already translate into better FWMs and FAs; that FAs based on current LLMs can already provide excellent policies for sufficiently simple environments; and that the coupling of FWMs and reinforcement learning agents is highly promising for more complex settings with partial observability and stochastic elements.
Authors: Zhiyu Mou, Yiqin Lv, Miao Xu, Cheems Wang, Yixiu Mao, Qichen Ye, Chao Li, Rongquan Bai, Chuan Yu, Jian Xu, Bo Zheng
Abstract: Auto-bidding is an essential tool for advertisers to enhance their advertising performance. Recent progress has shown that AI-Generated Bidding (AIGB), which formulates the auto-bidding as a trajectory generation task and trains a conditional diffusion-based planner on offline data, achieves superior and stable performance compared to typical offline reinforcement learning (RL)-based auto-bidding methods. However, existing AIGB methods still encounter a performance bottleneck due to their neglect of fine-grained generation quality evaluation and inability to explore beyond static datasets. To address this, we propose AIGB-Pearl (\emph{Planning with EvAluator via RL}), a novel method that integrates generative planning and policy optimization. The key to AIGB-Pearl is to construct a non-bootstrapped \emph{trajectory evaluator} to assign rewards and guide policy search, enabling the planner to optimize its generation quality iteratively through interaction. Furthermore, to enhance trajectory evaluator accuracy in offline settings, we incorporate three key techniques: (i) a Large Language Model (LLM)-based architecture for better representational capacity, (ii) hybrid point-wise and pair-wise losses for better score learning, and (iii) adaptive integration of expert feedback for better generalization ability. Extensive experiments on both simulated and real-world advertising systems demonstrate the state-of-the-art performance of our approach.
Authors: Zhengyao Huang, Daniel Zhengyu Huang, Tiannan Xiao, Dina Ma, Zhenyu Ming, Hao Shi, Yuanhui Wen
Abstract: Symbolic regression aims to discover concise, interpretable mathematical expressions that satisfy desired objectives, such as fitting data, posing a highly combinatorial optimization problem. While genetic programming has been the dominant approach, recent efforts have explored reinforcement learning methods for improving search efficiency. Monte Carlo Tree Search (MCTS), with its ability to balance exploration and exploitation through guided search, has emerged as a promising technique for symbolic expression discovery. However, its traditional bandit strategies and sequential symbol construction often limit performance. In this work, we propose an improved MCTS framework for symbolic regression that addresses these limitations through two key innovations: (1) an extreme bandit allocation strategy tailored for identifying globally optimal expressions, with finite-time performance guarantees under polynomial reward decay assumptions; and (2) evolution-inspired state-jumping actions such as mutation and crossover, which enable non-local transitions to promising regions of the search space. These state-jumping actions also reshape the reward landscape during the search process, improving both robustness and efficiency. We conduct a thorough numerical study to the impact of these improvements and benchmark our approach against existing symbolic regression methods on a variety of datasets, including both ground-truth and black-box datasets. Our approach achieves competitive performance with state-of-the-art libraries in terms of recovery rate, attains favorable positions on the Pareto frontier of accuracy versus model complexity. Code is available at https://github.com/PKU-CMEGroup/MCTS-4-SR.
Authors: Wenjun Cao
Abstract: Large language models improve with scale, yet feedback-based alignment still exhibits systematic deviations from intended behavior. Motivated by bounded rationality in economics and cognitive science, we view judgment as resource-limited and feedback as a constrained channel. On this basis, we model the loop as a two-stage cascade $U \to H \to Y$ given $S$, with cognitive capacity $C_{\text{cog}|S}$ and average total capacity $\bar{C}_{\text{tot}|S}$. Our main result is a capacity-coupled Alignment Performance Interval. It pairs a data size-independent Fano lower bound proved on a separable codebook mixture with a PAC-Bayes upper bound whose KL term is controlled by the same channel via $m \, \bar{C}_{\text{tot}|S}$. The PAC-Bayes bound becomes an upper bound on the same true risk when the canonical observable loss is used and the dataset is drawn from the same mixture. Under these matched conditions, both limits are governed by a single capacity. Consequences include that, with value complexity and capacity fixed, adding labels alone cannot cross the bound; attaining lower risk on more complex targets requires capacity that grows with $\log M$; and once useful signal saturates capacity, further optimization tends to fit channel regularities, consistent with reports of sycophancy and reward hacking. The analysis views alignment as interface engineering: measure and allocate limited capacity, manage task complexity, and decide where information is spent.
Authors: Ibai Ramirez, Jokin Alcibar, Joel Pino, Mikel Sanz, David Pardo, Jose I. Aizpurua
Abstract: Scientific Machine Learning (SciML) integrates physics and data into the learning process, offering improved generalization compared with purely data-driven models. Despite its potential, applications of SciML in prognostics remain limited, partly due to the complexity of incorporating partial differential equations (PDEs) for ageing physics and the scarcity of robust uncertainty quantification methods. This work introduces a Bayesian Physics-Informed Neural Network (B-PINN) framework for probabilistic prognostics estimation. By embedding Bayesian Neural Networks into the PINN architecture, the proposed approach produces principled, uncertainty-aware predictions. The method is applied to a transformer ageing case study, where insulation degradation is primarily driven by thermal stress. The heat diffusion PDE is used as the physical residual, and different prior distributions are investigated to examine their impact on predictive posterior distributions and their ability to encode a priori physical knowledge. The framework is validated against a finite element model developed and tested with real measurements from a solar power plant. Results, benchmarked against a dropout-PINN baseline, show that the proposed B-PINN delivers more reliable prognostic predictions by accurately quantifying predictive uncertainty. This capability is crucial for supporting robust and informed maintenance decision-making in critical power assets.
Authors: Mingdong Wu, Long Yang, Jin Liu, Weiyao Huang, Lehong Wu, Zelin Chen, Daolin Ma, Hao Dong
Abstract: Accurate estimation of the in-hand pose of an object based on its CAD model is crucial in both industrial applications and everyday tasks, ranging from positioning workpieces and assembling components to seamlessly inserting devices like USB connectors. While existing methods often rely on regression, feature matching, or registration techniques, achieving high precision and generalizability to unseen CAD models remains a significant challenge. In this paper, we propose a novel three-stage framework for in-hand pose estimation. The first stage involves sampling and pre-ranking pose candidates, followed by iterative refinement of these candidates in the second stage. In the final stage, post-ranking is applied to identify the most likely pose candidates. These stages are governed by a unified energy-based diffusion model, which is trained solely on simulated data. This energy model simultaneously generates gradients to refine pose estimates and produces an energy scalar that quantifies the quality of the pose estimates. Additionally, borrowing the idea from the computer vision domain, we incorporate a render-compare architecture within the energy-based score network to significantly enhance sim-to-real performance, as demonstrated by our ablation studies. We conduct comprehensive experiments to show that our method outperforms conventional baselines based on regression, matching, and registration techniques, while also exhibiting strong intra-category generalization to previously unseen CAD models. Moreover, our approach integrates tactile object pose estimation, pose tracking, and uncertainty estimation into a unified framework, enabling robust performance across a variety of real-world conditions.
Authors: Marko Tuononen, Heikki Penttinen, Ville Hautam\"aki
Abstract: We present the first use of influence functions for deep learning-based wireless receivers. Applied to DeepRx, a fully convolutional receiver, influence analysis reveals which training samples drive bit predictions, enabling targeted fine-tuning of poorly performing cases. We show that loss-relative influence with capacity-like binary cross-entropy loss and first-order updates on beneficial samples most consistently improves bit error rate toward genie-aided performance, outperforming random fine-tuning in single-target scenarios. Multi-target adaptation proved less effective, underscoring open challenges. Beyond experiments, we connect influence to self-influence corrections and propose a second-order, influence-aligned update strategy. Our results establish influence functions as both an interpretability tool and a basis for efficient receiver adaptation.
Authors: Zhangqi Jiang, Tingjin Luo, Xu Yang, Xinyan Liang
Abstract: View missing remains a significant challenge in graph-based multi-view semi-supervised learning, hindering their real-world applications. To address this issue, traditional methods introduce a missing indicator matrix and focus on mining partial structure among existing samples in each view for label propagation (LP). However, we argue that these disregarded missing samples sometimes induce discontinuous local structures, i.e., sub-clusters, breaking the fundamental smoothness assumption in LP. Consequently, such a Sub-Cluster Problem (SCP) would distort graph fusion and degrade classification performance. To alleviate SCP, we propose a novel incomplete multi-view semi-supervised learning method, termed AGF-TI. Firstly, we design an adversarial graph fusion scheme to learn a robust consensus graph against the distorted local structure through a min-max framework. By stacking all similarity matrices into a tensor, we further recover the incomplete structure from the high-order consistency information based on the low-rank tensor learning. Additionally, the anchor-based strategy is incorporated to reduce the computational complexity. An efficient alternative optimization algorithm combining a reduced gradient descent method is developed to solve the formulated objective, with theoretical convergence. Extensive experimental results on various datasets validate the superiority of our proposed AGF-TI as compared to state-of-the-art methods. Code is available at https://github.com/ZhangqiJiang07/AGF_TI.
Authors: Chao Yu, Yuanqing Wang, Zhen Guo, Hao Lin, Si Xu, Hongzhi Zang, Quanlu Zhang, Yongji Wu, Chunyang Zhu, Junhao Hu, Zixiao Huang, Mingjie Wei, Yuqing Xie, Ke Yang, Bo Dai, Zhexuan Xu, Xiangyuan Wang, Xu Fu, Zhihao Liu, Kang Chen, Weilin Liu, Gang Liu, Boxun Li, Jianlei Yang, Zhi Yang, Guohao Dai, Yu Wang
Abstract: Reinforcement learning (RL) has demonstrated immense potential in advancing artificial general intelligence, agentic intelligence, and embodied intelligence. However, the inherent heterogeneity and dynamicity of RL workflows often lead to low hardware utilization and slow training on existing systems. In this paper, we present RLinf, a high-performance RL training system based on our key observation that the major roadblock to efficient RL training lies in system flexibility. To maximize flexibility and efficiency, RLinf is built atop a novel RL system design paradigm called macro-to-micro flow transformation (M2Flow), which automatically breaks down high-level, easy-to-compose RL workflows at both the temporal and spatial dimensions, and recomposes them into optimized execution flows. Supported by RLinf worker's adaptive communication capability, we devise context switching and elastic pipelining to realize M2Flow transformation, and a profiling-guided scheduling policy to generate optimal execution plans. Extensive evaluations on both reasoning RL and embodied RL tasks demonstrate that RLinf consistently outperforms state-of-the-art systems, achieving 1.1x-2.13x speedup in end-to-end training throughput.
Authors: Yujie Zhu, Charles A. Hepburn, Matthew Thorpe, Giovanni Montana
Abstract: In reinforcement learning with sparse rewards, demonstrations can accelerate learning, but determining when to imitate them remains challenging. We propose Smooth Policy Regularisation from Demonstrations (SPReD), a framework that addresses the fundamental question: when should an agent imitate a demonstration versus follow its own policy? SPReD uses ensemble methods to explicitly model Q-value distributions for both demonstration and policy actions, quantifying uncertainty for comparisons. We develop two complementary uncertainty-aware methods: a probabilistic approach estimating the likelihood of demonstration superiority, and an advantage-based approach scaling imitation by statistical significance. Unlike prevailing methods (e.g. Q-filter) that make binary imitation decisions, SPReD applies continuous, uncertainty-proportional regularisation weights, reducing gradient variance during training. Despite its computational simplicity, SPReD achieves remarkable gains in experiments across eight robotics tasks, outperforming existing approaches by up to a factor of 14 in complex tasks while maintaining robustness to demonstration quality and quantity. Our code is available at https://github.com/YujieZhu7/SPReD.
Authors: Xinchen Wan, Jinhua Liang, Huan Zhang
Abstract: Existing digital mental wellness tools often overlook the nuanced emotional states underlying everyday challenges. For example, pre-sleep anxiety affects more than 1.5 billion people worldwide, yet current approaches remain largely static and "one-size-fits-all", failing to adapt to individual needs. In this work, we present EmoHeal, an end-to-end system that delivers personalized, three-stage supportive narratives. EmoHeal detects 27 fine-grained emotions from user text with a fine-tuned XLM-RoBERTa model, mapping them to musical parameters via a knowledge graph grounded in music therapy principles (GEMS, iso-principle). EmoHeal retrieves audiovisual content using the CLAMP3 model to guide users from their current state toward a calmer one ("match-guide-target"). A within-subjects study (N=40) demonstrated significant supportive effects, with participants reporting substantial mood improvement (M=4.12, p<0.001) and high perceived emotion recognition accuracy (M=4.05, p<0.001). A strong correlation between perceived accuracy and therapeutic outcome (r=0.72, p<0.001) validates our fine-grained approach. These findings establish the viability of theory-driven, emotion-aware digital wellness tools and provides a scalable AI blueprint for operationalizing music therapy principles.
Authors: Alan A. Lahoud, Erik Schaffernicht, Johannes A. Stork
Abstract: Learning representations for solutions of constrained optimization problems (COPs) with unknown cost functions is challenging, as models like (Variational) Autoencoders struggle to enforce constraints when decoding structured outputs. We propose an Inverse Optimization Latent Variable Model (IO-LVM) that learns a latent space of COP cost functions from observed solutions and reconstructs feasible outputs by solving a COP with a solver in the loop. Our approach leverages estimated gradients of a Fenchel-Young loss through a non-differentiable deterministic solver to shape the latent space. Unlike standard Inverse Optimization or Inverse Reinforcement Learning methods, which typically recover a single or context-specific cost function, IO-LVM captures a distribution over cost functions, enabling the identification of diverse solution behaviors arising from different agents or conditions not available during the training process. We validate our method on real-world datasets of ship and taxi routes, as well as paths in synthetic graphs, demonstrating its ability to reconstruct paths and cycles, predict their distributions, and yield interpretable latent representations.
Authors: R. O. Lane, W. J. Holmes, C. J. Taylor, H. M. State-Davey, A. J. Wragge
Abstract: This paper proposes an approach for automatically analysing and tracking statements in material gathered online and detecting whether the authors of the statements are likely to be involved in extremism or terrorism. The proposed system comprises: online collation of statements that are then encoded in a form amenable to machine learning (ML), an ML component to classify the encoded text, a tracker, and a visualisation system for analysis of results. The detection and tracking concept has been tested using quotes made by terrorists, extremists, campaigners, and politicians, obtained from wikiquote.org. A set of features was extracted for each quote using the state-of-the-art Universal Sentence Encoder (Cer et al. 2018), which produces 512-dimensional vectors. The data were used to train and test a support vector machine (SVM) classifier using 10-fold cross-validation. The system was able to correctly detect intentions and attitudes associated with extremism 81% of the time and terrorism 97% of the time, using a dataset of 839 quotes. This accuracy was higher than that which was achieved for a simple baseline system based on n-gram text features. Tracking techniques were also used to perform a temporal analysis of the data, with each quote considered to be a noisy measurement of a person's state of mind. It was demonstrated that the tracking algorithms were able to detect both trends over time and sharp changes in attitude that could be attributed to major events.
Authors: Konrad Janik, Peter Benner
Abstract: Measurement data is often sampled irregularly i.e. not on equidistant time grids. This is also true for Hamiltonian systems. However, existing machine learning methods, which learn symplectic integrators, such as SympNets [20] and H\'enonNets [4] still require training data generated by fixed step sizes. To learn time-adaptive symplectic integrators, an extension to SympNets, which we call TSympNets, was introduced in [20]. We adapt the architecture of TSympNets and extend them to non-autonomous Hamiltonian systems. So far the approximation qualities of TSympNets were unknown. We close this gap by providing a universal approximation theorem for separable Hamiltonian systems and show that it is not possible to extend it to non-separable Hamiltonian systems. To investigate these theoretical approximation capabilities, we perform different numerical experiments. Furthermore we fix a mistake in a proof of a substantial theorem [25, Theorem 2] for the approximation of symplectic maps in general, but specifically for symplectic machine learning methods.
Authors: Jorge-Humberto Urrea-Quintero, David Anton, Laura De Lorenzis, Henning Wessels
Abstract: The automated discovery of constitutive models from data has recently emerged as a promising alternative to the traditional model calibration paradigm. In this work, we present a fully automated framework for constitutive model discovery that systematically pairs three sparse regression algorithms (Least Absolute Shrinkage and Selection Operator (LASSO), Least Angle Regression (LARS), and Orthogonal Matching Pursuit (OMP)) with three model selection criteria: $K$-fold cross-validation (CV), Akaike Information Criterion (AIC), and Bayesian Information Criterion (BIC). This pairing yields nine distinct algorithms for model discovery and enables a systematic exploration of the trade-off between sparsity, predictive performance, and computational cost. While LARS serves as an efficient path-based solver for the $\ell_1$-constrained problem, OMP is introduced as a tractable heuristic for $\ell_0$-regularized selection. The framework is applied to both isotropic and anisotropic hyperelasticity, utilizing both synthetic and experimental datasets. Results reveal that all nine algorithm-criterion combinations perform consistently well for the discovery of isotropic and anisotropic materials, yielding highly accurate constitutive models. These findings broaden the range of viable discovery algorithms beyond $\ell_1$-based approaches such as LASSO.
Authors: Maithili Joshi, Palash Nandi, Tanmoy Chakraborty
Abstract: Large Language Models (LLMs) with safe-alignment training are powerful instruments with robust language comprehension capabilities. These models typically undergo meticulous alignment procedures involving human feedback to ensure the acceptance of safe inputs while rejecting harmful or unsafe ones. However, despite their massive scale and alignment efforts, LLMs remain vulnerable to jailbreak attacks, where malicious users manipulate the model to produce harmful outputs that it was explicitly trained to avoid. In this study, we find that the safety mechanisms in LLMs are predominantly embedded in the middle-to-late layers. Building on this insight, we introduce a novel white-box jailbreak method, SABER (Safety Alignment Bypass via Extra Residuals), which connects two intermediate layers $s$ and $e$ such that $s < e$, through a residual connection. Our approach achieves a 51% improvement over the best-performing baseline on the HarmBench test set. Furthermore, SABER induces only a marginal shift in perplexity when evaluated on the HarmBench validation set. The source code is publicly available at https://github.com/PalGitts/SABER.
Authors: Yuchen Ye, Hong Liang, Chaoxia Yuan, Mingyu Li, Aoqi Zhou, Chunqing Shang, Hua Cai, Peixi Liu, Kezuan Wang, Yifeng Zheng
Abstract: Accurate atmospheric wind field information is crucial for various applications, including weather forecasting, aviation safety, and disaster risk reduction. However, obtaining high spatiotemporal resolution wind data remains challenging due to limitations in traditional in-situ observations and remote sensing techniques, as well as the computational expense and biases of numerical weather prediction (NWP) models. This paper introduces G-WindCast, a novel deep learning framework that leverages signal strength variations from 5G Global Navigation Satellite System (GNSS) signals to retrieve and forecast three-dimensional (3D) atmospheric wind fields. The framework utilizes Forward Neural Networks (FNN) and Transformer networks to capture complex, nonlinear, and spatiotemporal relationships between GNSS-derived features and wind dynamics. Our preliminary results demonstrate promising accuracy in both wind retrieval and short-term wind forecasting (up to 30 minutes lead time), with skill scores comparable to high-resolution NWP outputs in certain scenarios. The model exhibits robustness across different forecast horizons and pressure levels, and its predictions for wind speed and direction show superior agreement with observations compared to concurrent ERA5 reanalysis data. Furthermore, we show that the system can maintain excellent performance for localized forecasting even with a significantly reduced number of GNSS stations (e.g., around 100), highlighting its cost-effectiveness and scalability. This interdisciplinary approach underscores the transformative potential of exploiting non-traditional data sources and deep learning for advanced environmental monitoring and real-time atmospheric applications.
Authors: Yi Xu, Yitian Zhang, Yun Fu
Abstract: Unsupervised multivariate time series (MTS) representation learning aims to extract compact and informative representations from raw sequences without relying on labels, enabling efficient transfer to diverse downstream tasks. In this paper, we propose Dual-Masked Autoencoder (DMAE), a novel masked time-series modeling framework for unsupervised MTS representation learning. DMAE formulates two complementary pretext tasks: (1) reconstructing masked values based on visible attributes, and (2) estimating latent representations of masked features, guided by a teacher encoder. To further improve representation quality, we introduce a feature-level alignment constraint that encourages the predicted latent representations to align with the teacher's outputs. By jointly optimizing these objectives, DMAE learns temporally coherent and semantically rich representations. Comprehensive evaluations across classification, regression, and forecasting tasks demonstrate that our approach achieves consistent and superior performance over competitive baselines.
Authors: Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Paliwal, Weili Nie, Arash Vahdat
Abstract: A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.
Authors: Emmanouil Seferis, Changshun Wu, Stefanos Kollias, Saddek Bensalem, Chih-Hong Cheng
Abstract: Randomized smoothing (RS) is one of the prominent techniques to ensure the correctness of machine learning models, where point-wise robustness certificates can be derived analytically. While RS is well understood for classification, its application to generative models is unclear, since their outputs are sequences rather than labels. We resolve this by connecting generative outputs to an oracle classification task and showing that RS can still be enabled: the final response can be classified as a discrete action (e.g., service-robot commands in VLAs), as harmful vs. harmless (content moderation or toxicity detection in VLMs), or even applying oracles to cluster answers into semantically equivalent ones. Provided that the error rate for the oracle classifier comparison is bounded, we develop the theory that associates the number of samples with the corresponding robustness radius. We further derive improved scaling laws analytically relating the certified radius and accuracy to the number of samples, showing that the earlier result of 2 to 3 orders of magnitude fewer samples sufficing with minimal loss remains valid even under weaker assumptions. Together, these advances make robustness certification both well-defined and computationally feasible for state-of-the-art VLMs, as validated against recent jailbreak-style adversarial attacks.
Authors: Kristina P. Sinaga
Abstract: We present a robust personalized federated learning framework that leverages heat-kernel enhanced tensorized multi-view fuzzy c-means clustering with advanced tensor decomposition techniques. Our approach integrates heat-kernel coefficients adapted from quantum field theory with Tucker decomposition and canonical polyadic decomposition (CANDECOMP/PARAFAC) to transform conventional distance metrics and efficiently represent high-dimensional multi-view structures. The framework employs matriculation and vectorization techniques to facilitate the discovery of hidden structures and multilinear relationships via N-way generalized tensors. The proposed method introduces a dual-level optimization scheme: local heat-kernel enhanced fuzzy clustering with tensor decomposition operating on order-N input tensors, and federated aggregation of tensor factors with privacy-preserving personalization mechanisms. The local stage employs tensorized kernel Euclidean distance transformations and Tucker decomposition to discover client-specific patterns in multi-view tensor data, while the global aggregation process coordinates tensor factors (core tensors and factor matrices) across clients through differential privacy-preserving protocols. This tensorized approach enables efficient handling of high-dimensional multi-view data with significant communication savings through low-rank tensor approximations.
Authors: Kaiwen Zheng, Huayu Chen, Haotian Ye, Haoxiang Wang, Qinsheng Zhang, Kai Jiang, Hang Su, Stefano Ermon, Jun Zhu, Ming-Yu Liu
Abstract: Online reinforcement learning (RL) has been central to post-training language models, but its extension to diffusion models remains challenging due to intractable likelihoods. Recent works discretize the reverse sampling process to enable GRPO-style training, yet they inherit fundamental drawbacks, including solver restrictions, forward-reverse inconsistency, and complicated integration with classifier-free guidance (CFG). We introduce Diffusion Negative-aware FineTuning (DiffusionNFT), a new online RL paradigm that optimizes diffusion models directly on the forward process via flow matching. DiffusionNFT contrasts positive and negative generations to define an implicit policy improvement direction, naturally incorporating reinforcement signals into the supervised learning objective. This formulation enables training with arbitrary black-box solvers, eliminates the need for likelihood estimation, and requires only clean images rather than sampling trajectories for policy optimization. DiffusionNFT is up to $25\times$ more efficient than FlowGRPO in head-to-head comparisons, while being CFG-free. For instance, DiffusionNFT improves the GenEval score from 0.24 to 0.98 within 1k steps, while FlowGRPO achieves 0.95 with over 5k steps and additional CFG employment. By leveraging multiple reward models, DiffusionNFT significantly boosts the performance of SD3.5-Medium in every benchmark tested.
Authors: Janayna M. Fernandes, Robinson Sabino-Silva, Murillo G. Carneiro
Abstract: Autism Spectrum Disorder (ASD) lacks reliable biological markers, delaying early diagnosis. Using 159 salivary samples analyzed by ATR-FTIR spectroscopy, we developed GANet, a genetic algorithm-based network optimization framework leveraging PageRank and Degree for importance-based feature characterization. GANet systematically optimizes network structure to extract meaningful patterns from high-dimensional spectral data. It achieved superior performance compared to linear discriminant analysis, support vector machines, and deep learning models, reaching 0.78 accuracy, 0.61 sensitivity, 0.90 specificity, and a 0.74 harmonic mean. These results demonstrate GANet's potential as a robust, bio-inspired, non-invasive tool for precise ASD detection and broader spectral-based health applications.
Authors: Pinelopi Papalampidi, Olivia Wiles, Ira Ktena, Aleksandar Shtedritski, Emanuele Bugliarello, Ivana Kajic, Isabela Albuquerque, Aida Nematzadeh
Abstract: Classifier-free guidance (CFG) is a cornerstone of text-to-image diffusion models, yet its effectiveness is limited by the use of static guidance scales. This "one-size-fits-all" approach fails to adapt to the diverse requirements of different prompts; moreover, prior solutions like gradient-based correction or fixed heuristic schedules introduce additional complexities and fail to generalize. In this work, we challeng this static paradigm by introducing a framework for dynamic CFG scheduling. Our method leverages online feedback from a suite of general-purpose and specialized small-scale latent-space evaluations, such as CLIP for alignment, a discriminator for fidelity and a human preference reward model, to assess generation quality at each step of the reverse diffusion process. Based on this feedback, we perform a greedy search to select the optimal CFG scale for each timestep, creating a unique guidance schedule tailored to every prompt and sample. We demonstrate the effectiveness of our approach on both small-scale models and the state-of-the-art Imagen 3, showing significant improvements in text alignment, visual quality, text rendering and numerical reasoning. Notably, when compared against the default Imagen 3 baseline, our method achieves up to 53.8% human preference win-rate for overall preference, a figure that increases up to to 55.5% on prompts targeting specific capabilities like text rendering. Our work establishes that the optimal guidance schedule is inherently dynamic and prompt-dependent, and provides an efficient and generalizable framework to achieve it.
Authors: M. Giselle Fern\'andez-Godino, Meir H. Shachar, Kevin Korner, Jonathan L. Belof, Mukul Kumar, Jonathan Lind, William J. Schill
Abstract: The ability to predict how shock waves traverse porous and architected materials is a decisive factor in planetary defense, national security, and the race to achieve inertial fusion energy. Yet capturing pore collapse, anomalous Hugoniot responses, and localized heating -- phenomena that can determine the success of asteroid deflection or fusion ignition -- has remained a major challenge despite recent advances in single-field and reduced representations. We introduce a multi-field spatio-temporal deep learning model (MSTM) that unifies seven coupled fields -- pressure, density, temperature, energy, material distribution, and two velocity components -- into a single autoregressive surrogate. Trained on high-fidelity hydrocode data, MSTM runs about a thousand times faster than direct simulation, achieving errors below 4\% in porous materials and below 10\% in lattice structures. Unlike prior single-field or operator-based surrogates, MSTM resolves sharp shock fronts while preserving integrated quantities such as mass-averaged pressure and temperature to within 5\%. This advance transforms problems once considered intractable into tractable design studies, establishing a practical framework for optimizing meso-structured materials in planetary impact mitigation, inertial fusion energy, and national security.
Authors: Isaiah J. King, Benjamin Bowman, H. Howie Huang
Abstract: Deep reinforcement learning (RL) is emerging as a viable strategy for automated cyber defense (ACD). The traditional RL approach represents networks as a list of computers in various states of safety or threat. Unfortunately, these models are forced to overfit to specific network topologies, rendering them ineffective when faced with even small environmental perturbations. In this work, we frame ACD as a two-player context-based partially observable Markov decision problem with observations represented as attributed graphs. This approach allows our agents to reason through the lens of relational inductive bias. Agents learn how to reason about hosts interacting with other system entities in a more general manner, and their actions are understood as edits to the graph representing the environment. By introducing this bias, we will show that our agents can better reason about the states of networks and zero-shot adapt to new ones. We show that this approach outperforms the state-of-the-art by a wide margin, and makes our agents capable of defending never-before-seen networks against a wide range of adversaries in a variety of complex, and multi-agent environments.
Authors: Yuen Chen, Yian Wang, Hari Sundaram
Abstract: The goal of this paper is to accelerate the training of machine learning models, a critical challenge since the training of large-scale deep neural models can be computationally expensive. Stochastic gradient descent (SGD) and its variants are widely used to train deep neural networks. In contrast to traditional approaches that focus on tuning the learning rate, we propose a novel adaptive batch size SGD algorithm, DiveBatch, that dynamically adjusts the batch size. Adapting the batch size is challenging: using large batch sizes is more efficient due to parallel computation, but small-batch training often converges in fewer epochs and generalizes better. To address this challenge, we introduce a data-driven adaptation based on gradient diversity, enabling DiveBatch to maintain the generalization performance of small-batch training while improving convergence speed and computational efficiency. Gradient diversity has a strong theoretical justification: it emerges from the convergence analysis of SGD. Evaluations of DiveBatch on synthetic and CiFar-10, CiFar-100, and Tiny-ImageNet demonstrate that DiveBatch converges significantly faster than standard SGD and AdaBatch (1.06 -- 5.0x), with a slight trade-off in performance.
Authors: Andrew Kyle Lampinen, Martin Engelcke, Yuxuan Li, Arslan Chaudhry, James L. McClelland
Abstract: When do machine learning systems fail to generalize, and what mechanisms could improve their generalization? Here, we draw inspiration from cognitive science to argue that one weakness of machine learning systems is their failure to exhibit latent learning -- learning information that is not relevant to the task at hand, but that might be useful in a future task. We show how this perspective links failures ranging from the reversal curse in language modeling to new findings on agent-based navigation. We then highlight how cognitive science points to episodic memory as a potential part of the solution to these issues. Correspondingly, we show that a system with an oracle retrieval mechanism can use learning experiences more flexibly to generalize better across many of these challenges. We also identify some of the essential components for effectively using retrieval, including the importance of within-example in-context learning for acquiring the ability to use information across retrieved examples. In summary, our results illustrate one possible contributor to the relative data inefficiency of current machine learning systems compared to natural intelligence, and help to understand how retrieval methods can complement parametric learning to improve generalization.
Authors: Zhengxing Li, Guangmingmei Yang, Jayaram Raghuram, David J. Miller, George Kesidis
Abstract: While effective backdoor detection and inversion schemes have been developed for AIs used e.g. for images, there are challenges in "porting" these methods to LLMs. First, the LLM input space is discrete, which precludes gradient-based search over this space, central to many backdoor inversion methods. Second, there are ~30,000^k k-tuples to consider, k the token-length of a putative trigger. Third, for LLMs there is the need to blacklist tokens that have strong marginal associations with the putative target response (class) of an attack, as such tokens give false detection signals. However, good blacklists may not exist for some domains. We propose a LLM trigger inversion approach with three key components: i) discrete search, with putative triggers greedily accreted, starting from a select list of singletons; ii) implicit blacklisting, achieved by evaluating the average cosine similarity, in activation space, between a candidate trigger and a small clean set of samples from the putative target class; iii) detection when a candidate trigger elicits high misclassifications, and with unusually high decision confidence. Unlike many recent works, we demonstrate that our approach reliably detects and successfully inverts ground-truth backdoor trigger phrases.
Authors: Sk Md Ahnaf Akif Alvi, Brent Vela, Vahid Attari, Jan Janssen, Danny Perez, Douglas Allaire, Raymundo Arroyave
Abstract: The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating limited evaluation resources. We present a cost-aware, batch Bayesian optimization scheme powered by deep Gaussian process (DGP) surrogates and a heterotopic querying strategy. Our DGP surrogate, formed by stacking GP layers, models complex hierarchical relationships among high-dimensional compositional features and captures correlations across multiple target properties, propagating uncertainty through successive layers. We integrate evaluation cost into an upper-confidence-bound acquisition extension, which, together with heterotopic querying, proposes small batches of candidates in parallel, balancing exploration of under-characterized regions with exploitation of high-mean, low-variance predictions across correlated properties. Applied to refractory high-entropy alloys for high-temperature applications, our framework converges to optimal formulations in fewer iterations with cost-aware queries than conventional GP-based BO, highlighting the value of deep, uncertainty-aware, cost-sensitive strategies in materials campaigns.
Authors: Di Wen, Kunyu Peng, Junwei Zheng, Yufan Chen, Yitain Shi, Jiale Wei, Ruiping Liu, Kailun Yang, Rainer Stiefelhagen
Abstract: Industrial workflows demand adaptive and trustworthy assistance that can operate under limited computing, connectivity, and strict privacy constraints. In this work, we present MICA (Multi-Agent Industrial Coordination Assistant), a perception-grounded and speech-interactive system that delivers real-time guidance for assembly, troubleshooting, part queries, and maintenance. MICA coordinates five role-specialized language agents, audited by a safety checker, to ensure accurate and compliant support. To achieve robust step understanding, we introduce Adaptive Step Fusion (ASF), which dynamically blends expert reasoning with online adaptation from natural speech feedback. Furthermore, we establish a new multi-agent coordination benchmark across representative task categories and propose evaluation metrics tailored to industrial assistance, enabling systematic comparison of different coordination topologies. Our experiments demonstrate that MICA consistently improves task success, reliability, and responsiveness over baseline structures, while remaining deployable on practical offline hardware. Together, these contributions highlight MICA as a step toward deployable, privacy-preserving multi-agent assistants for dynamic factory environments. The source code will be made publicly available at https://github.com/Kratos-Wen/MICA.
Authors: Stjepan Po\v{z}gaj, Dobrik Georgiev, Marin \v{S}ili\'c, Petar Veli\v{c}kovi\'c
Abstract: Neural algorithmic reasoning (NAR) is a growing field that aims to embed algorithmic logic into neural networks by imitating classical algorithms. In this extended abstract, we detail our attempt to build a neural algorithmic reasoner that can solve Knapsack, a pseudo-polynomial problem bridging classical algorithms and combinatorial optimisation, but omitted in standard NAR benchmarks. Our neural algorithmic reasoner is designed to closely follow the two-phase pipeline for the Knapsack problem, which involves first constructing the dynamic programming table and then reconstructing the solution from it. The approach, which models intermediate states through dynamic programming supervision, achieves better generalization to larger problem instances than a direct-prediction baseline that attempts to select the optimal subset only from the problem inputs.
Authors: Carlo Graziani, Marieme Ngom
Abstract: Gaussian Process (GP) models are popular tools in uncertainty quantification (UQ) because they purport to furnish functional uncertainty estimates that can be used to represent model uncertainty. It is often difficult to state with precision what probabilistic interpretation attaches to such an uncertainty, and in what way is it calibrated. Without such a calibration statement, the value of such uncertainty estimates is quite limited and qualitative. We motivate the importance of proper probabilistic calibration of GP predictions by describing how GP predictive calibration failures can cause degraded convergence properties in a target optimization algorithm called Targeted Adaptive Design (TAD). We discuss the interpretation of GP-generated uncertainty intervals in UQ, and how one may learn to trust them, through a formal procedure for covariance kernel validation that exploits the multivariate normal nature of GP predictions. We give simple examples of GP regression misspecified 1-dimensional models, and discuss the situation with respect to higher-dimensional models.
Authors: Silpa Vadakkeeveetil Sreelatha, Sauradip Nag, Muhammad Awais, Serge Belongie, Anjan Dutta
Abstract: The rapid advancement of diffusion models has enabled high-fidelity and semantically rich text-to-image generation; however, ensuring fairness and safety remains an open challenge. Existing methods typically improve fairness and safety at the expense of semantic fidelity and image quality. In this work, we propose RespoDiff, a novel framework for responsible text-to-image generation that incorporates a dual-module transformation on the intermediate bottleneck representations of diffusion models. Our approach introduces two distinct learnable modules: one focused on capturing and enforcing responsible concepts, such as fairness and safety, and the other dedicated to maintaining semantic alignment with neutral prompts. To facilitate the dual learning process, we introduce a novel score-matching objective that enables effective coordination between the modules. Our method outperforms state-of-the-art methods in responsible generation by ensuring semantic alignment while optimizing both objectives without compromising image fidelity. Our approach improves responsible and semantically coherent generation by 20% across diverse, unseen prompts. Moreover, it integrates seamlessly into large-scale models like SDXL, enhancing fairness and safety. Code will be released upon acceptance.
Authors: David Shoresh, Yonatan Loewenstein
Abstract: Your company's CEO is retiring. You search for a successor. You can promote an employee from the company familiar with the company's operations, or recruit an external professional manager. Who should you prefer? It has not been clear how to address this question, the "subject matter expertise vs. professional manager debate", quantitatively and objectively. We note that a company's success depends on long sequences of interdependent decisions, with often-opposing recommendations of diverse board members. To model this task in a controlled environment, we utilize chess - a complex, sequential game with interdependent decisions which allows for quantitative analysis of performance and expertise (since the states, actions and game outcomes are well-defined). The availability of chess engines differing in style and expertise, allows scalable experimentation. We considered a team of (computer) chess players. At each turn, team members recommend a move and a manager chooses a recommendation. We compared the performance of two manager types. For manager as "subject matter expert", we used another (computer) chess player that assesses the recommendations of the team members based on its own chess expertise. We examined the performance of such managers at different strength levels. To model a "professional manager", we used Reinforcement Learning (RL) to train a network that identifies the board positions in which different team members have relative advantage, without any pretraining in chess. We further examined this network to see if any chess knowledge is acquired implicitly. We found that subject matter expertise beyond a minimal threshold does not significantly contribute to team synergy. Moreover, performance of a RL-trained "professional" manager significantly exceeds that of even the best "expert" managers, while acquiring only limited understanding of chess.
Authors: Valeria Pais, Luis Oala, Daniele Faccio, Marco Aversa
Abstract: The costs of generative model compute rekindled promises and hopes for efficient data curation. In this work, we investigate whether recently developed autoguidance and online data selection methods can improve the time and sample efficiency of training generative diffusion models. We integrate joint example selection (JEST) and autoguidance into a unified code base for fast ablation and benchmarking. We evaluate combinations of data curation on a controlled 2-D synthetic data generation task as well as (3x64x64)-D image generation. Our comparisons are made at equal wall-clock time and equal number of samples, explicitly accounting for the overhead of selection. Across experiments, autoguidance consistently improves sample quality and diversity. Early AJEST (applying selection only at the beginning of training) can match or modestly exceed autoguidance alone in data efficiency on both tasks. However, its time overhead and added complexity make autoguidance or uniform random data selection preferable in most situations. These findings suggest that while targeted online selection can yield efficiency gains in early training, robust sample quality improvements are primarily driven by autoguidance. We discuss limitations and scope, and outline when data selection may be beneficial.
Authors: Qin Chao, Eunsoo Kim, Boyang Li
Abstract: The movie industry is associated with an elevated level of risk, which necessitates the use of automated tools to predict box-office revenue and facilitate human decision-making. In this study, we build a sophisticated multimodal neural network that predicts box offices by grounding crowdsourced descriptive keywords of each movie in the visual information of the movie posters, thereby enhancing the learned keyword representations, resulting in a substantial reduction of 14.5% in box-office prediction error. The advanced revenue prediction model enables the analysis of the commercial viability of "copycat movies," or movies with substantial similarity to successful movies released recently. We do so by computing the influence of copycat features in box-office prediction. We find a positive relationship between copycat status and movie revenue. However, this effect diminishes when the number of similar movies and the similarity of their content increase. Overall, our work develops sophisticated deep learning tools for studying the movie industry and provides valuable business insight.
Authors: Kadin Matotek, Heather Cassel, Md Amiruzzaman, Linh B. Ngo
Abstract: This study examines the performance of today's open-source, locally hosted large-language models (LLMs) in handling complex competitive programming tasks with extended problem descriptions and contexts. Building on the original Framework for AI-driven Code Generation Evaluation (FACE), the authors retrofit the pipeline to work entirely offline through the Ollama runtime, collapsing FACE's sprawling per-problem directory tree into a handful of consolidated JSON files, and adding robust checkpointing so multi-day runs can resume after failures. The enhanced framework generates, submits, and records solutions for the full Kattis corpus of 3,589 problems across eight code-oriented models ranging from 6.7-9 billion parameters. The submission results show that the overall pass@1 accuracy is modest for the local models, with the best models performing at approximately half the acceptance rate of the proprietary models, Gemini 1.5 and ChatGPT-4. These findings expose a persistent gap between private, cost-controlled LLM deployments and state-of-the-art proprietary services, yet also highlight the rapid progress of open models and the practical benefits of an evaluation workflow that organizations can replicate on in-house hardware.
Authors: Stephen Whitelam
Abstract: We show how to adjust the parameters of a thermodynamic computer by gradient descent in order to perform a desired computation at a specified observation time. Within a digital simulation of a thermodynamic computer, training proceeds by maximizing the probability with which the computer would generate an idealized dynamical trajectory. The idealized trajectory is designed to reproduce the activations of a neural network trained to perform the desired computation. This teacher-student scheme results in a thermodynamic computer whose finite-time dynamics enacts a computation analogous to that of the neural network. The parameters identified in this way can be implemented in the hardware realization of the thermodynamic computer, which will perform the desired computation automatically, driven by thermal noise. We demonstrate the method on a standard image-classification task, and estimate the thermodynamic advantage -- the ratio of energy costs of the digital and thermodynamic implementations -- to exceed seven orders of magnitude. Our results establish gradient descent as a viable training method for thermodynamic computing, enabling application of the core methodology of machine learning to this emerging field.
Authors: Yulin Wang, Yang Yue, Yang Yue, Huanqian Wang, Haojun Jiang, Yizeng Han, Zanlin Ni, Yifan Pu, Minglei Shi, Rui Lu, Qisen Yang, Andrew Zhao, Zhuofan Xia, Shiji Song, Gao Huang
Abstract: Human vision is highly adaptive, efficiently sampling intricate environments by sequentially fixating on task-relevant regions. In contrast, prevailing machine vision models passively process entire scenes at once, resulting in excessive resource demands scaling with spatial-temporal input resolution and model size, yielding critical limitations impeding both future advancements and real-world application. Here we introduce AdaptiveNN, a general framework aiming to drive a paradigm shift from 'passive' to 'active, adaptive' vision models. AdaptiveNN formulates visual perception as a coarse-to-fine sequential decision-making process, progressively identifying and attending to regions pertinent to the task, incrementally combining information across fixations, and actively concluding observation when sufficient. We establish a theory integrating representation learning with self-rewarding reinforcement learning, enabling end-to-end training of the non-differentiable AdaptiveNN without additional supervision on fixation locations. We assess AdaptiveNN on 17 benchmarks spanning 9 tasks, including large-scale visual recognition, fine-grained discrimination, visual search, processing images from real driving and medical scenarios, language-driven embodied AI, and side-by-side comparisons with humans. AdaptiveNN achieves up to 28x inference cost reduction without sacrificing accuracy, flexibly adapts to varying task demands and resource budgets without retraining, and provides enhanced interpretability via its fixation patterns, demonstrating a promising avenue toward efficient, flexible, and interpretable computer vision. Furthermore, AdaptiveNN exhibits closely human-like perceptual behaviors in many cases, revealing its potential as a valuable tool for investigating visual cognition. Code is available at https://github.com/LeapLabTHU/AdaptiveNN.
Authors: Yu Chang, Jiahao Chen, Anzhe Cheng, Paul Bogdan
Abstract: Text-to-image diffusion models achieve impressive realism but often suffer from compositional failures on prompts with multiple objects, attributes, and spatial relations, resulting in cross-token interference where entities entangle, attributes mix across objects, and spatial cues are violated. To address these failures, we propose MaskAttn-SDXL,a region-level gating mechanism applied to the cross-attention logits of Stable Diffusion XL(SDXL)'s UNet. MaskAttn-SDXL learns a binary mask per layer, injecting it into each cross-attention logit map before softmax to sparsify token-to-latent interactions so that only semantically relevant connections remain active. The method requires no positional encodings, auxiliary tokens, or external region masks, and preserves the original inference path with negligible overhead. In practice, our model improves spatial compliance and attribute binding in multi-object prompts while preserving overall image quality and diversity. These findings demonstrate that logit-level maksed cross-attention is an data-efficient primitve for enforcing compositional control, and our method thus serves as a practical extension for spatial control in text-to-image generation.
Authors: Debasish Dutta, Neeharika Sonowal, Risheraj Barauh, Deepjyoti Chetia, Sanjib Kr Kalita
Abstract: Microscopy image enhancement plays a pivotal role in understanding the details of biological cells and materials at microscopic scales. In recent years, there has been a significant rise in the advancement of microscopy image enhancement, specifically with the help of deep learning methods. This survey paper aims to provide a snapshot of this rapidly growing state-of-the-art method, focusing on its evolution, applications, challenges, and future directions. The core discussions take place around the key domains of microscopy image enhancement of super-resolution, reconstruction, and denoising, with each domain explored in terms of its current trends and their practical utility of deep learning.
Authors: Youngwon Choi, Jaeyoon Jung, Hyeonyu Kim, Huu-Kim Nguyen, Hwayeon Kim
Abstract: Large Audio Language Models (LALMs) have emerged as powerful tools for speech-related tasks but remain underexplored for fine-tuning, especially with limited speech data. To bridge this gap, we systematically examine how different fine-tuning schemes including text-only, direct mixing, and curriculum learning affect spoken language understanding (SLU), focusing on scenarios where text-label pairs are abundant while paired speech-label data are limited. Results show that LALMs already achieve competitive performance with text-only fine-tuning, highlighting their strong generalization ability. Adding even small amounts of speech data (2-5%) yields substantial further gains, with curriculum learning particularly effective under scarce data. In cross-lingual SLU, combining source-language speech data with target-language text and minimal target-language speech data enables effective adaptation. Overall, this study provides practical insights into the LALM fine-tuning under realistic data constraints.
Authors: Yangyi Li, Mengdi Huai
Abstract: Large language models (LLMs) have shown strong capabilities, enabling concise, context-aware answers in question answering (QA) tasks. The lack of transparency in complex LLMs has inspired extensive research aimed at developing methods to explain large language behaviors. Among existing explanation methods, natural language explanations stand out due to their ability to explain LLMs in a self-explanatory manner and enable the understanding of model behaviors even when the models are closed-source. However, despite these promising advancements, there is no existing work studying how to provide valid uncertainty guarantees for these generated natural language explanations. Such uncertainty quantification is critical in understanding the confidence behind these explanations. Notably, generating valid uncertainty estimates for natural language explanations is particularly challenging due to the auto-regressive generation process of LLMs and the presence of noise in medical inquiries. To bridge this gap, in this work, we first propose a novel uncertainty estimation framework for these generated natural language explanations, which provides valid uncertainty guarantees in a post-hoc and model-agnostic manner. Additionally, we also design a novel robust uncertainty estimation method that maintains valid uncertainty guarantees even under noise. Extensive experiments on QA tasks demonstrate the desired performance of our methods.
Authors: Claudio Benzoni, Martina Langhals, Martin Boeker, Luise Modersohn, M\'at\'e E. Maros
Abstract: Regardless of the rapid development of artificial intelligence, abstractive summarisation is still challenging for sensitive and data-restrictive domains like medicine. With the increasing number of imaging, the relevance of automated tools for complex medical text summarisation is expected to become highly relevant. In this paper, we investigated the adaptation via fine-tuning process of a non-domain-specific abstractive summarisation encoder-decoder model family, and gave insights to practitioners on how to avoid over- and underfitting. We used PEGASUS and PEGASUS-X, on a medium-sized radiological reports public dataset. For each model, we comprehensively evaluated two different checkpoints with varying sizes of the same training data. We monitored the models' performances with lexical and semantic metrics during the training history on the fixed-size validation set. PEGASUS exhibited different phases, which can be related to epoch-wise double-descent, or peak-drop-recovery behaviour. For PEGASUS-X, we found that using a larger checkpoint led to a performance detriment. This work highlights the challenges and risks of fine-tuning models with high expressivity when dealing with scarce training data, and lays the groundwork for future investigations into more robust fine-tuning strategies for summarisation models in specialised domains.
Authors: Ankit Kulshrestha, Xiaoyuan Liu, Hayato Ushijima-Mwesigwa, Ilya Safro
Abstract: The design of quantum circuits is currently driven by the specific objectives of the quantum algorithm in question. This approach thus relies on a significant manual effort by the quantum algorithm designer to design an appropriate circuit for the task. However this approach cannot scale to more complex quantum algorithms in the future without exponentially increasing the circuit design effort and introducing unwanted inductive biases. Motivated by this observation, we propose to automate the process of cicuit design by drawing inspiration from Neural Architecture Search (NAS). In this work, we propose two Quantum-NAS algorithms that aim to find efficient circuits given a particular quantum task. We choose quantum data compression as our driver quantum task and demonstrate the performance of our algorithms by finding efficient autoencoder designs that outperform baselines on three different tasks - quantum data denoising, classical data compression and pure quantum data compression. Our results indicate that quantum NAS algorithms can significantly alleviate the manual effort while delivering performant quantum circuits for any given task.
Authors: Yuyu Wang, Wuyue Xia, Huaxiu Yao, Jingping Nie
Abstract: Post-exercise speech contains rich physiological and linguistic cues, often marked by semantic pauses, breathing pauses, and combined breathing-semantic pauses. Detecting these events enables assessment of recovery rate, lung function, and exertion-related abnormalities. However, existing works on identifying and distinguishing different types of pauses in this context are limited. In this work, building on a recently released dataset with synchronized audio and respiration signals, we provide systematic annotations of pause types. Using these annotations, we systematically conduct exploratory breathing and semantic pause detection and exertion-level classification across deep learning models (GRU, 1D CNN-LSTM, AlexNet, VGG16), acoustic features (MFCC, MFB), and layer-stratified Wav2Vec2 representations. We evaluate three setups-single feature, feature fusion, and a two-stage detection-classification cascade-under both classification and regression formulations. Results show per-type detection accuracy up to 89$\%$ for semantic, 55$\%$ for breathing, 86$\%$ for combined pauses, and 73$\%$overall, while exertion-level classification achieves 90.5$\%$ accuracy, outperformin prior work.
Authors: Lioz Berman, Sharon Gannot, Tom Tirer
Abstract: We consider the problem of estimating the directions of arrival (DOAs) of multiple sources from a single snapshot of an antenna array, a task with many practical applications. In such settings, the classical Bartlett beamformer is commonly used, as maximum likelihood estimation becomes impractical when the number of sources is unknown or large, and spectral methods based on the sample covariance are not applicable due to the lack of multiple snapshots. However, the accuracy and resolution of the Bartlett beamformer are fundamentally limited by the array aperture. In this paper, we propose a deep learning technique, comprising a novel architecture and training strategy, for generating a high-resolution spatial spectrum from a single snapshot. Specifically, we train a deep neural network that takes the measurements and a hypothesis angle as input and learns to output a score consistent with the capabilities of a much wider array. At inference time, a heatmap can be produced by scanning an arbitrary set of angles. We demonstrate the advantages of our trained model, named (SP)$^2$-Net, over the Bartlett beamformer and sparsity-based DOA estimation methods.
Authors: Siyang Wu, Zhewei Sun
Abstract: Slang is a commonly used type of informal language that poses a daunting challenge to NLP systems. Recent advances in large language models (LLMs), however, have made the problem more approachable. While LLM agents are becoming more widely applied to intermediary tasks such as slang detection and slang interpretation, their generalizability and reliability are heavily dependent on whether these models have captured structural knowledge about slang that align well with human attested slang usages. To answer this question, we contribute a systematic comparison between human and machine-generated slang usages. Our evaluative framework focuses on three core aspects: 1) Characteristics of the usages that reflect systematic biases in how machines perceive slang, 2) Creativity reflected by both lexical coinages and word reuses employed by the slang usages, and 3) Informativeness of the slang usages when used as gold-standard examples for model distillation. By comparing human-attested slang usages from the Online Slang Dictionary (OSD) and slang generated by GPT-4o and Llama-3, we find significant biases in how LLMs perceive slang. Our results suggest that while LLMs have captured significant knowledge about the creative aspects of slang, such knowledge does not align with humans sufficiently to enable LLMs for extrapolative tasks such as linguistic analyses.
Authors: Daniel Meister, Takahiro Harada
Abstract: Control variates are a variance-reduction technique for Monte Carlo integration. The principle involves approximating the integrand by a function that can be analytically integrated, and integrating using the Monte Carlo method only the residual difference between the integrand and the approximation, to obtain an unbiased estimate. Neural networks are universal approximators that could potentially be used as a control variate. However, the challenge lies in the analytic integration, which is not possible in general. In this manuscript, we study one of the simplest neural network models, the multilayered perceptron (MLP) with continuous piecewise linear activation functions, and its possible analytic integration. We propose an integration method based on integration domain subdivision, employing techniques from computational geometry to solve this problem in 2D. We demonstrate that an MLP can be used as a control variate in combination with our integration method, showing applications in the light transport simulation.
Authors: Rasil Baidar, Sasa Maric, Robert Abbas
Abstract: The exponential expansion of IoT and 5G-Advanced applications has enlarged the attack surface for DDoS, malware, and zero-day intrusions. We propose an intrusion detection system that fuses a convolutional neural network (CNN), a bidirectional LSTM (BiLSTM), and an autoencoder (AE) bottleneck within a privacy-preserving federated learning (FL) framework. The CNN-BiLSTM branch captures local and gated cross-feature interactions, while the AE emphasizes reconstruction-based anomaly sensitivity. Training occurs across edge devices without sharing raw data. On UNSW-NB15 (binary), the fused model attains AUC 99.59 percent and F1 97.36 percent; confusion-matrix analysis shows balanced error rates with high precision and recall. Average inference time is approximately 0.0476 ms per sample on our test hardware, which is well within the less than 10 ms URLLC budget, supporting edge deployment. We also discuss explainability, drift tolerance, and FL considerations for compliant, scalable 5G-Advanced IoT security.
Authors: Shilong Bao, Qianqian Xu, Feiran Li, Boyu Han, Zhiyong Yang, Xiaochun Cao, Qingming Huang
Abstract: This paper investigates a fundamental yet underexplored issue in Salient Object Detection (SOD): the size-invariant property for evaluation protocols, particularly in scenarios when multiple salient objects of significantly different sizes appear within a single image. We first present a novel perspective to expose the inherent size sensitivity of existing widely used SOD metrics. Through careful theoretical derivations, we show that the evaluation outcome of an image under current SOD metrics can be essentially decomposed into a sum of several separable terms, with the contribution of each term being directly proportional to its corresponding region size. Consequently, the prediction errors would be dominated by the larger regions, while smaller yet potentially more semantically important objects are often overlooked, leading to biased performance assessments and practical degradation. To address this challenge, a generic Size-Invariant Evaluation (SIEva) framework is proposed. The core idea is to evaluate each separable component individually and then aggregate the results, thereby effectively mitigating the impact of size imbalance across objects. Building upon this, we further develop a dedicated optimization framework (SIOpt), which adheres to the size-invariant principle and significantly enhances the detection of salient objects across a broad range of sizes. Notably, SIOpt is model-agnostic and can be seamlessly integrated with a wide range of SOD backbones. Theoretically, we also present generalization analysis of SOD methods and provide evidence supporting the validity of our new evaluation protocols. Finally, comprehensive experiments speak to the efficacy of our proposed approach. The code is available at https://github.com/Ferry-Li/SI-SOD.
Authors: Tsz Ting Chung, Lemao Liu, Mo Yu, Dit-Yan Yeung
Abstract: Logic reasoning in natural language has been recognized as an important measure of human intelligence for Large Language Models (LLMs). Popular benchmarks may entangle multiple reasoning skills and thus provide unfaithful evaluations on the logic reasoning skill. Meanwhile, existing logic reasoning benchmarks are limited in language diversity and their distributions are deviated from the distribution of an ideal logic reasoning benchmark, which may lead to biased evaluation results. This paper thereby proposes a new classical logic benchmark DivLogicEval, consisting of natural sentences composed of diverse statements in a counterintuitive way. To ensure a more reliable evaluation, we also introduce a new evaluation metric that mitigates the influence of bias and randomness inherent in LLMs. Through experiments, we demonstrate the extent to which logical reasoning is required to answer the questions in DivLogicEval and compare the performance of different popular LLMs in conducting logical reasoning.
Authors: Chunna Li, Yiwei Song, Yuanhai Shao
Abstract: In transfer learning, a source domain often carries diverse knowledge, and different domains usually emphasize different types of knowledge. Different from handling only a single type of knowledge from all domains in traditional transfer learning methods, we introduce an ensemble learning framework with a weak mode of convergence in the form of Statistical Invariant (SI) for multi-source transfer learning, formulated as Stochastic Ensemble Multi-Source Transfer Learning Using Statistical Invariant (SETrLUSI). The proposed SI extracts and integrates various types of knowledge from both source and target domains, which not only effectively utilizes diverse knowledge but also accelerates the convergence process. Further, SETrLUSI incorporates stochastic SI selection, proportional source domain sampling, and target domain bootstrapping, which improves training efficiency while enhancing model stability. Experiments show that SETrLUSI has good convergence and outperforms related methods with a lower time cost.
Authors: Tiffany M. Tang, Elizaveta Levina, Ji Zhu
Abstract: Machine learning algorithms often assume that training samples are independent. When data points are connected by a network, the induced dependency between samples is both a challenge, reducing effective sample size, and an opportunity to improve prediction by leveraging information from network neighbors. Multiple methods taking advantage of this opportunity are now available, but many, including graph neural networks, are not easily interpretable, limiting their usefulness for understanding how a model makes its predictions. Others, such as network-assisted linear regression, are interpretable but often yield substantially worse prediction performance. We bridge this gap by proposing a family of flexible network-assisted models built upon a generalization of random forests (RF+), which achieves highly-competitive prediction accuracy and can be interpreted through feature importance measures. In particular, we develop a suite of interpretation tools that enable practitioners to not only identify important features that drive model predictions, but also quantify the importance of the network contribution to prediction. Importantly, we provide both global and local importance measures as well as sample influence measures to assess the impact of a given observation. This suite of tools broadens the scope and applicability of network-assisted machine learning for high-impact problems where interpretability and transparency are essential.
Authors: Tomoya Yamashita, Yuuki Yamanaka, Masanori Yamada, Takayuki Miura, Toshiki Shibahara, Tomoharu Iwata
Abstract: Machine Unlearning (MU) has recently attracted considerable attention as a solution to privacy and copyright issues in large language models (LLMs). Existing MU methods aim to remove specific target sentences from an LLM while minimizing damage to unrelated knowledge. However, these approaches require explicit target sentences and do not support removing broader concepts, such as persons or events. To address this limitation, we introduce Concept Unlearning (CU) as a new requirement for LLM unlearning. We leverage knowledge graphs to represent the LLM's internal knowledge and define CU as removing the forgetting target nodes and associated edges. This graph-based formulation enables a more intuitive unlearning and facilitates the design of more effective methods. We propose a novel method that prompts the LLM to generate knowledge triplets and explanatory sentences about the forgetting target and applies the unlearning process to these representations. Our approach enables more precise and comprehensive concept removal by aligning the unlearning process with the LLM's internal knowledge representations. Experiments on real-world and synthetic datasets demonstrate that our method effectively achieves concept-level unlearning while preserving unrelated knowledge.
Authors: Tomoya Yamashita, Akira Ito, Yuuki Yamanaka, Masanori Yamada, Takayuki Miura, Toshiki Shibahara
Abstract: As large language models (LLMs) are increasingly deployed across various applications, privacy and copyright concerns have heightened the need for more effective LLM unlearning techniques. Many existing unlearning methods aim to suppress undesirable outputs through additional training (e.g., gradient ascent), which reduces the probability of generating such outputs. While such suppression-based approaches can control model outputs, they may not eliminate the underlying knowledge embedded in the model's internal activations; muting a response is not the same as forgetting it. Moreover, such suppression-based methods often suffer from model collapse. To address these issues, we propose a novel unlearning method that directly intervenes in the model's internal activations. In our formulation, forgetting is defined as a state in which the activation of a forgotten target is indistinguishable from that of ``unknown'' entities. Our method introduces an unlearning objective that modifies the activation of the target entity away from those of known entities and toward those of unknown entities in a sparse autoencoder latent space. By aligning the target's internal activation with those of unknown entities, we shift the model's recognition of the target entity from ``known'' to ``unknown'', achieving genuine forgetting while avoiding over-suppression and model collapse. Empirically, we show that our method effectively aligns the internal activations of the forgotten target, a result that the suppression-based approaches do not reliably achieve. Additionally, our method effectively reduces the model's recall of target knowledge in question-answering tasks without significant damage to the non-target knowledge.
Authors: Zhaoyang Li, Zhan Ling, Yuchen Zhou, Hao Su
Abstract: Large Vision-Language Models (LVLMs) have made significant strides in image caption, visual question answering, and robotics by integrating visual and textual information. However, they remain prone to errors in incongruous contexts, where objects appear unexpectedly or are absent when contextually expected. This leads to two key recognition failures: object misidentification and hallucination. To systematically examine this issue, we introduce the Object Recognition in Incongruous Context Benchmark (ORIC), a novel benchmark that evaluates LVLMs in scenarios where object-context relationships deviate from expectations. ORIC employs two key strategies: (1) LLM-guided sampling, which identifies objects that are present but contextually incongruous, and (2) CLIP-guided sampling, which detects plausible yet nonexistent objects that are likely to be hallucinated, thereby creating an incongruous context. Evaluating 18 LVLMs and two open-vocabulary detection models, our results reveal significant recognition gaps, underscoring the challenges posed by contextual incongruity. This work provides critical insights into LVLMs' limitations and encourages further research on context-aware object recognition.
Authors: Marco Mordacci, Mahul Pandey, Paolo Santini, Michele Amoretti
Abstract: An efficient and data-driven encoding scheme is proposed to enhance the performance of variational quantum classifiers. This encoding is specially designed for complex datasets like images and seeks to help the classification task by producing input states that form well-separated clusters in the Hilbert space according to their classification labels. The encoding circuit is trained using a triplet loss function inspired by classical facial recognition algorithms, and class separability is measured via average trace distances between the encoded density matrices. Benchmark tests performed on various binary classification tasks on MNIST and MedMNIST datasets demonstrate considerable improvement over amplitude encoding with the same VQC structure while requiring a much lower circuit depth.
Authors: Marco Mordacci, Michele Amoretti
Abstract: In this work, an analysis of the performance of different Variational Quantum Circuits is presented, investigating how it changes with respect to entanglement topology, adopted gates, and Quantum Machine Learning tasks to be performed. The objective of the analysis is to identify the optimal way to construct circuits for Quantum Neural Networks. In the presented experiments, two types of circuits are used: one with alternating layers of rotations and entanglement, and the other, similar to the first one, but with an additional final layer of rotations. As rotation layers, all combinations of one and two rotation sequences are considered. Four different entanglement topologies are compared: linear, circular, pairwise, and full. Different tasks are considered, namely the generation of probability distributions and images, and image classification. Achieved results are correlated with the expressibility and entanglement capability of the different circuits to understand how these features affect performance.
Authors: Marco Mordacci, Michele Amoretti
Abstract: In this work, the Particle Swarm Optimization (PSO) algorithm has been used to train various Variational Quantum Circuits (VQCs). This approach is motivated by the fact that commonly used gradient-based optimization methods can suffer from the barren plateaus problem. PSO is a stochastic optimization technique inspired by the collective behavior of a swarm of birds. The dimension of the swarm, the number of iterations of the algorithm, and the number of trainable parameters can be set. In this study, PSO has been used to train the entire structure of VQCs, allowing it to select which quantum gates to apply, the target qubits, and the rotation angle, in case a rotation is chosen. The algorithm is restricted to choosing from four types of gates: Rx, Ry, Rz, and CNOT. The proposed optimization approach has been tested on various datasets of the MedMNIST, which is a collection of biomedical image datasets designed for image classification tasks. Performance has been compared with the results achieved by classical stochastic gradient descent applied to a predefined VQC. The results show that the PSO can achieve comparable or even better classification accuracy across multiple datasets, despite the PSO using a lower number of quantum gates than the VQC used with gradient descent optimization.
Authors: Qiuyang Lu, Fangjian Shen, Zhengkai Tang, Qiang Liu, Hexuan Cheng, Hui Liu, Wushao Wen
Abstract: The quality and accessibility of multilingual datasets are crucial for advancing machine translation. However, previous corpora built from United Nations documents have suffered from issues such as opaque process, difficulty of reproduction, and limited scale. To address these challenges, we introduce a complete end-to-end solution, from data acquisition via web scraping to text alignment. The entire process is fully reproducible, with a minimalist single-machine example and optional distributed computing steps for scalability. At its core, we propose a new Graph-Aided Paragraph Alignment (GAPA) algorithm for efficient and flexible paragraph-level alignment. The resulting corpus contains over 713 million English tokens, more than doubling the scale of prior work. To the best of our knowledge, this represents the largest publicly available parallel corpus composed entirely of human-translated, non-AI-generated content. Our code and corpus are accessible under the MIT License.
Authors: Alexandra Carpentier, Christophe Giraud, Nicolas Verzelen
Abstract: Predictions from statistical physics postulate that recovery of the communities in Stochastic Block Model (SBM) is possible in polynomial time above, and only above, the Kesten-Stigum (KS) threshold. This conjecture has given rise to a rich literature, proving that non-trivial community recovery is indeed possible in SBM above the KS threshold, as long as the number $K$ of communities remains smaller than $\sqrt{n}$, where $n$ is the number of nodes in the observed graph. Failure of low-degree polynomials below the KS threshold was also proven when $K=o(\sqrt{n})$. When $K\geq \sqrt{n}$, Chin et al.(2025) recently prove that, in a sparse regime, community recovery in polynomial time is possible below the KS threshold by counting non-backtracking paths. This breakthrough result lead them to postulate a new threshold for the many communities regime $K\geq \sqrt{n}$. In this work, we provide evidences that confirm their conjecture for $K\geq \sqrt{n}$: 1- We prove that, for any density of the graph, low-degree polynomials fail to recover communities below the threshold postulated by Chin et al.(2025); 2- We prove that community recovery is possible in polynomial time above the postulated threshold, not only in the sparse regime of~Chin et al., but also in some (but not all) moderately sparse regimes by essentially counting clique occurence in the observed graph.
Authors: Aysenur Kulunk, Berk Taskin, M. Furkan Eseoglu, H. Bahadir Sahin
Abstract: In large scale e-commerce marketplaces, duplicate product listings frequently cause consumer confusion and operational inefficiencies, degrading trust on the platform and increasing costs. Traditional keyword-based search methodologies falter in accurately identifying duplicates due to their reliance on exact textual matches, neglecting semantic similarities inherent in product titles. To address these challenges, we introduce a scalable, multimodal product deduplication designed specifically for the e-commerce domain. Our approach employs a domain-specific text model grounded in BERT architecture in conjunction with MaskedAutoEncoders for image representations. Both of these architectures are augmented with dimensionality reduction techniques to produce compact 128-dimensional embeddings without significant information loss. Complementing this, we also developed a novel decider model that leverages both text and image vectors. By integrating these feature extraction mechanisms with Milvus, an optimized vector database, our system can facilitate efficient and high-precision similarity searches across extensive product catalogs exceeding 200 million items with just 100GB of system RAM consumption. Empirical evaluations demonstrate that our matching system achieves a macro-average F1 score of 0.90, outperforming third-party solutions which attain an F1 score of 0.83. Our findings show the potential of combining domain-specific adaptations with state-of-the-art machine learning techniques to mitigate duplicate listings in large-scale e-commerce environments.
Authors: Manajit Das, Ajnabiul Hoque, Mayank Baranwal, Raghavan B. Sunoj
Abstract: Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep learning (DL) alternatives ignore key intermediates and mechanistic steps and often suffer from hallucinations. We present DeepMech, an interpretable graph-based DL framework employing atom- and bond-level attention, guided by generalized templates of mechanistic operations (TMOps), to generate CRMs. Trained on our curated ReactMech dataset (~30K CRMs with 100K atom-mapped and mass-balanced elementary steps), DeepMech achieves 98.98+/-0.12% accuracy in predicting elementary steps and 95.94+/-0.21% in complete CRM tasks, besides maintaining high fidelity even in out-of-distribution scenarios as well as in predicting side and/or byproducts. Extension to multistep CRMs relevant to prebiotic chemistry, demonstrates the ability of DeepMech in effectively reconstructing pathways from simple primordial substrates to complex biomolecules such as serine and aldopentose. Attention analysis identifies reactive atoms/bonds in line with chemical intuition, rendering our model interpretable and suitable for reaction design.
Authors: Simon Klaes, Axel Klawonn, Natalie Kubicki, Martin Lanser, Kengo Nakajima, Takashi Shimokawabe, Janine Weber
Abstract: This work aims to predict blood flow with non-Newtonian viscosity in stenosed arteries using convolutional neural network (CNN) surrogate models. An alternating Schwarz domain decomposition method is proposed which uses CNN-based subdomain solvers. A universal subdomain solver (USDS) is trained on a single, fixed geometry and then applied for each subdomain solve in the Schwarz method. Results for two-dimensional stenotic arteries of varying shape and length for different inflow conditions are presented and statistically evaluated. One key finding, when using a limited amount of training data, is the need to implement a USDS which preserves some of the physics, as, in our case, flow rate conservation. A physics-aware approach outperforms purely data-driven USDS, delivering improved subdomain solutions and preventing overshooting or undershooting of the global solution during the Schwarz iterations, thereby leading to more reliable convergence.
Authors: Ahmed Karim (Judy), Qiao Wang (Judy), Zheng Yuan
Abstract: Automated Essay Scoring (AES) systems now reach near human agreement on some public benchmarks, yet real-world adoption, especially in high-stakes examinations, remains limited. A principal obstacle is that most models output a single score without any accompanying measure of confidence or explanation. We address this gap with conformal prediction, a distribution-free wrapper that equips any classifier with set-valued outputs and formal coverage guarantees. Two open-source large language models (Llama-3 8B and Qwen-2.5 3B) are fine-tuned on three diverse corpora (ASAP, TOEFL11, Cambridge-FCE) and calibrated at a 90 percent risk level. Reliability is assessed with UAcc, an uncertainty-aware accuracy that rewards models for being both correct and concise. To our knowledge, this is the first work to combine conformal prediction and UAcc for essay scoring. The calibrated models consistently meet the coverage target while keeping prediction sets compact, indicating that open-source, mid-sized LLMs can already support teacher-in-the-loop AES; we discuss scaling and broader user studies as future work.
Authors: Katharina Eckstein, Constantin Ulrich, Michael Baumgartner, Jessica K\"achele, Dimitrios Bounias, Tassilo Wald, Ralf Floca, Klaus H. Maier-Hein
Abstract: Large-scale pre-training holds the promise to advance 3D medical object detection, a crucial component of accurate computer-aided diagnosis. Yet, it remains underexplored compared to segmentation, where pre-training has already demonstrated significant benefits. Existing pre-training approaches for 3D object detection rely on 2D medical data or natural image pre-training, failing to fully leverage 3D volumetric information. In this work, we present the first systematic study of how existing pre-training methods can be integrated into state-of-the-art detection architectures, covering both CNNs and Transformers. Our results show that pre-training consistently improves detection performance across various tasks and datasets. Notably, reconstruction-based self-supervised pre-training outperforms supervised pre-training, while contrastive pre-training provides no clear benefit for 3D medical object detection. Our code is publicly available at: https://github.com/MIC-DKFZ/nnDetection-finetuning.
Authors: Gang Yang, Yue Lei, Wenxin Tai, Jin Wu, Jia Chen, Ting Zhong, Fan Zhou
Abstract: Diffusion and flow matching (FM) models have achieved remarkable progress in speech enhancement (SE), yet their dependence on multi-step generation is computationally expensive and vulnerable to discretization errors. Recent advances in one-step generative modeling, particularly MeanFlow, provide a promising alternative by reformulating dynamics through average velocity fields. In this work, we present COSE, a one-step FM framework tailored for SE. To address the high training overhead of Jacobian-vector product (JVP) computations in MeanFlow, we introduce a velocity composition identity to compute average velocity efficiently, eliminating expensive computation while preserving theoretical consistency and achieving competitive enhancement quality. Extensive experiments on standard benchmarks show that COSE delivers up to 5x faster sampling and reduces training cost by 40%, all without compromising speech quality. Code is available at https://github.com/ICDM-UESTC/COSE.
Authors: Henri Cimeti\`ere, Maria Teresa Chiri, Bahman Gharesifard
Abstract: We introduce a new discrete-time attention model, termed the localmax dynamics, which interpolates between the classic softmax dynamics and the hardmax dynamics, where only the tokens that maximize the influence toward a given token have a positive weight. As in hardmax, uniform weights are determined by a parameter controlling neighbor influence, but the key extension lies in relaxing neighborhood interactions through an alignment-sensitivity parameter, which allows controlled deviations from pure hardmax behavior. As we prove, while the convex hull of the token states still converges to a convex polytope, its structure can no longer be fully described by a maximal alignment set, prompting the introduction of quiescent sets to capture the invariant behavior of tokens near vertices. We show that these sets play a key role in understanding the asymptotic behavior of the system, even under time-varying alignment sensitivity parameters. We further show that localmax dynamics does not exhibit finite-time convergence and provide results for vanishing, nonzero, time-varying alignment-sensitivity parameters, recovering the limiting behavior of hardmax as a by-product. Finally, we adapt Lyapunov-based methods from classical opinion dynamics, highlighting their limitations in the asymmetric setting of localmax interactions and outlining directions for future research.
Authors: Nikita Torgashov, Gustav Eje Henter, Gabriel Skantze
Abstract: We present VoXtream, a fully autoregressive, zero-shot streaming text-to-speech (TTS) system for real-time use that begins speaking from the first word. VoXtream directly maps incoming phonemes to audio tokens using a monotonic alignment scheme and a dynamic look-ahead that does not delay onset. Built around an incremental phoneme transformer, a temporal transformer predicting semantic and duration tokens, and a depth transformer producing acoustic tokens, VoXtream achieves, to our knowledge, the lowest initial delay among publicly available streaming TTS: 102 ms on GPU. Despite being trained on a mid-scale 9k-hour corpus, it matches or surpasses larger baselines on several metrics, while delivering competitive quality in both output- and full-streaming settings. Demo and code are available at https://herimor.github.io/voxtream.
Authors: Baichuan Huang, Ananth Balashankar, Amir Aminifar
Abstract: Fine-tuning all-bias-terms stands out among various parameter-efficient fine-tuning (PEFT) techniques, owing to its out-of-the-box usability and competitive performance, especially in low-data regimes. Bias-only fine-tuning has the potential for unprecedented parameter efficiency. However, the link between fine-tuning different bias terms (i.e., bias terms in the query, key, or value projections) and downstream performance remains unclear. The existing approaches, e.g., based on the magnitude of bias change or empirical Fisher information, provide limited guidance for selecting the particular bias term for effective fine-tuning. In this paper, we propose an approach for selecting the bias term to be fine-tuned, forming the foundation of our bias-efficient fine-tuning (BEFT). We extensively evaluate our bias-efficient approach against other bias-selection approaches, across a wide range of large language models (LLMs) spanning encoder-only and decoder-only architectures from 110M to 6.7B parameters. Our results demonstrate the effectiveness and superiority of our bias-efficient approach on diverse downstream tasks, including classification, multiple-choice, and generation tasks.
Authors: Bertrand Cloez, Adrien Cotil, Jean-Baptiste Menassol, Nicolas Verzelen
Abstract: We propose a novel family of model-free algorithms for node clustering and parameter inference in graphs generated from the Stochastic Block Model (SBM), a fundamental framework in community detection. Drawing inspiration from the Lloyd algorithm for the $k$-means problem, our approach extends to SBMs with general edge weight distributions. We establish the consistency of our estimator under a natural identifiability condition. Through extensive numerical experiments, we benchmark our methods against state-of-the-art techniques, demonstrating significantly faster computation times with the lower order of estimation error. Finally, we validate the practical relevance of our algorithms by applying them to empirical network data from behavioral ecology.
Authors: Rani Naaman, Felipe Gohring de Magalhaes, Jean-Yves Ouattara, Gabriela Nicolescu
Abstract: The emerging field of Quantum Machine Learning (QML) has shown promising advantages in accelerating processing speed and effectively handling the high dimensionality associated with complex datasets. Quantum Computing (QC) enables more efficient data manipulation through the quantum properties of superposition and entanglement. In this paper, we present a novel approach combining quantum and classical machine learning techniques to explore the impact of quantum properties for anomaly detection in Automatic Dependent Surveillance-Broadcast (ADS-B) data. We compare the performance of a Hybrid-Fully Connected Quantum Neural Network (H-FQNN) with different loss functions and use a publicly available ADS-B dataset to evaluate the performance. The results demonstrate competitive performance in detecting anomalies, with accuracies ranging from 90.17% to 94.05%, comparable to the performance of a traditional Fully Connected Neural Network (FNN) model, which achieved accuracies between 91.50% and 93.37%.
Authors: Thet Htar Su, Shaswot Shresthamali, Masaaki Kondo
Abstract: A fully quantum reinforcement learning framework is developed that integrates a quantum Markov decision process, dynamic circuit-based qubit reuse, and Grover's algorithm for trajectory optimization. The framework encodes states, actions, rewards, and transitions entirely within the quantum domain, enabling parallel exploration of state-action sequences through superposition and eliminating classical subroutines. Dynamic circuit operations, including mid-circuit measurement and reset, allow reuse of the same physical qubits across multiple agent-environment interactions, reducing qubit requirements from 7*T to 7 for T time steps while preserving logical continuity. Quantum arithmetic computes trajectory returns, and Grover's search is applied to the superposition of these evaluated trajectories to amplify the probability of measuring those with the highest return, thereby accelerating the identification of the optimal policy. Simulations demonstrate that the dynamic-circuit-based implementation preserves trajectory fidelity while reducing qubit usage by 66 percent relative to the static design. Experimental deployment on IBM Heron-class quantum hardware confirms that the framework operates within the constraints of current quantum processors and validates the feasibility of fully quantum multi-step reinforcement learning under noisy intermediate-scale quantum conditions. This framework advances the scalability and practical application of quantum reinforcement learning for large-scale sequential decision-making tasks.
Authors: Victor Villar, Juan Cruz-Benito, Ismael Faro, David Kremer
Abstract: This paper investigates artificial intelligence (AI) methodologies for the synthesis and transpilation of permutation circuits across generic topologies. Our approach uses Reinforcement Learning (RL) techniques to achieve near-optimal synthesis of permutation circuits up to 25 qubits. Rather than developing specialized models for individual topologies, we train a foundational model on a generic rectangular lattice, and employ masking mechanisms to dynamically select subsets of topologies during the synthesis. This enables the synthesis of permutation circuits on any topology that can be embedded within the rectangular lattice, without the need to re-train the model. In this paper we show results for 5x5 lattice and compare them to previous AI topology-oriented models and classical methods, showing that they outperform classical heuristics, and match previous specialized AI models, and performs synthesis even for topologies that were not seen during training. We further show that the model can be fine tuned to strengthen the performance for selected topologies of interest. This methodology allows a single trained model to efficiently synthesize circuits across diverse topologies, allowing its practical integration into transpilation workflows.
Authors: Lucas De Lara, Luca Ganassali
Abstract: Coupling probability measures lies at the core of many problems in statistics and machine learning, from domain adaptation to transfer learning and causal inference. Yet, even when restricted to deterministic transports, such couplings are not identifiable: two atomless marginals admit infinitely many transport maps. The common recourse to optimal transport, motivated by cost minimization and cyclical monotonicity, obscures the fact that several distinct notions of multivariate monotone matchings coexist. In this work, we first carry a comparative analysis of three constructions of transport maps: cyclically monotone, quantile-preserving and triangular monotone maps. We establish necessary and sufficient conditions for their equivalence, thereby clarifying their respective structural properties. In parallel, we formulate counterfactual reasoning within the framework of structural causal models as a problem of selecting transport maps between fixed marginals, which makes explicit the role of untestable assumptions in counterfactual reasoning. Then, we are able to connect these two perspectives by identifying conditions on causal graphs and structural equations under which counterfactual maps coincide with classical statistical transports. In this way, we delineate the circumstances in which causal assumptions support the use of a specific structure of transport map. Taken together, our results aim to enrich the theoretical understanding of families of transport maps and to clarify their possible causal interpretations. We hope this work contributes to establishing new bridges between statistical transport and causal inference.
Authors: Krati Saxena, Federico Jurado Ruiz, Guido Manzi, Dianbo Liu, Alex Lamb
Abstract: Attention mechanisms have become integral in AI, significantly enhancing model performance and scalability by drawing inspiration from human cognition. Concurrently, the Attention Schema Theory (AST) in cognitive science posits that individuals manage their attention by creating a model of the attention itself, effectively allocating cognitive resources. Inspired by AST, we introduce ASAC (Attention Schema-based Attention Control), which integrates the attention schema concept into artificial neural networks. Our initial experiments focused on embedding the ASAC module within transformer architectures. This module employs a Vector-Quantized Variational AutoEncoder (VQVAE) as both an attention abstractor and controller, facilitating precise attention management. By explicitly modeling attention allocation, our approach aims to enhance system efficiency. We demonstrate ASAC's effectiveness in both the vision and NLP domains, highlighting its ability to improve classification accuracy and expedite the learning process. Our experiments with vision transformers across various datasets illustrate that the attention controller not only boosts classification accuracy but also accelerates learning. Furthermore, we have demonstrated the model's robustness and generalization capabilities across noisy and out-of-distribution datasets. In addition, we have showcased improved performance in multi-task settings. Quick experiments reveal that the attention schema-based module enhances resilience to adversarial attacks, optimizes attention to improve learning efficiency, and facilitates effective transfer learning and learning from fewer examples. These promising results establish a connection between cognitive science and machine learning, shedding light on the efficient utilization of attention mechanisms in AI systems.
Authors: Yuanyun Hu, Evan Bell, Guijin Wang, Yu Sun
Abstract: Diffusion models are now commonly used to solve inverse problems in computational imaging. However, most diffusion-based inverse solvers require complete knowledge of the forward operator to be used. In this work, we introduce a novel probabilistic and robust inverse solver with measurement-conditioned diffusion prior (PRISM) to effectively address blind inverse problems. PRISM offers a technical advancement over current methods by incorporating a powerful measurement-conditioned diffusion model into a theoretically principled posterior sampling scheme. Experiments on blind image deblurring validate the effectiveness of the proposed method, demonstrating the superior performance of PRISM over state-of-the-art baselines in both image and blur kernel recovery.
Authors: Avinash Patil
Abstract: Efficient bug resolution is critical for maintaining software quality and user satisfaction. However, specific bug reports experience unusually long resolution times, which may indicate underlying process inefficiencies or complex issues. This study presents a comprehensive analysis of bug resolution anomalies across seven prominent open-source repositories: Cassandra, Firefox, Hadoop, HBase, SeaMonkey, Spark, and Thunderbird. Utilizing statistical methods such as Z-score and Interquartile Range (IQR), we identify anomalies in bug resolution durations. To understand the thematic nature of these anomalies, we apply Term Frequency-Inverse Document Frequency (TF-IDF) for textual feature extraction and KMeans clustering to group similar bug summaries. Our findings reveal consistent patterns across projects, with anomalies often clustering around test failures, enhancement requests, and user interface issues. This approach provides actionable insights for project maintainers to prioritize and effectively address long-standing bugs.
Authors: Gautam Kamath, Alireza F. Pour, Matthew Regehr, David P. Woodruff
Abstract: We propose an algorithm with improved query-complexity for the problem of hypothesis selection under local differential privacy constraints. Given a set of $k$ probability distributions $Q$, we describe an algorithm that satisfies local differential privacy, performs $\tilde{O}(k^{3/2})$ non-adaptive queries to individuals who each have samples from a probability distribution $p$, and outputs a probability distribution from the set $Q$ which is nearly the closest to $p$. Previous algorithms required either $\Omega(k^2)$ queries or many rounds of interactive queries. Technically, we introduce a new object we dub the Scheff\'e graph, which captures structure of the differences between distributions in $Q$, and may be of more broad interest for hypothesis selection tasks.
Authors: M. Ding, V. -A. Darvariu, A. N. Ryabtsev, N. Hawes, J. C. Pickering
Abstract: Atomic data determined by analysis of observed atomic spectra are essential for plasma diagnostics. For each low-ionisation open d- and f-subshell atomic species, around $10^3$ fine structure level energies can be determined through years of analysis of $10^4$ observable spectral lines. We propose the automation of this task by casting the analysis procedure as a Markov decision process and solving it by graph reinforcement learning using reward functions learned on historical human decisions. In our evaluations on existing spectral line lists and theoretical calculations for Co II and Nd II-III, hundreds of level energies were computed within hours, agreeing with published values in 95% of cases for Co II and 54-87% for Nd II-III. As the current efficiency in atomic fine structure determination struggles to meet growing atomic data demands from astronomy and fusion science, our new artificial intelligence approach sets the stage for closing this gap.
Authors: Naipunnya Raj, Rajiv Sangle, Avinash Singh, Krishna Kumar Sabapathy
Abstract: In this work, we introduce the Quantum Generative Adversarial Autoencoder (QGAA), a quantum model for generation of quantum data. The QGAA consists of two components: (a) Quantum Autoencoder (QAE) to compress quantum states, and (b) Quantum Generative Adversarial Network (QGAN) to learn the latent space of the trained QAE. This approach imparts the QAE with generative capabilities. The utility of QGAA is demonstrated in two representative scenarios: (a) generation of pure entangled states, and (b) generation of parameterized molecular ground states for H$_2$ and LiH. The average errors in the energies estimated by the trained QGAA are 0.02 Ha for H$_2$ and 0.06 Ha for LiH in simulations upto 6 qubits. These results illustrate the potential of QGAA for quantum state generation, quantum chemistry, and near-term quantum machine learning applications.
Authors: Ali Reza Ibrahimzada, Brandon Paulsen, Reyhaneh Jabbarvand, Joey Dodds, Daniel Kroening
Abstract: Code translation transforms source code from one programming language (PL) to another. Validating the functional equivalence of translation and repairing, if necessary, are critical steps in code translation. Existing automated validation and repair approaches struggle to generalize to many PLs due to high engineering overhead, and they rely on existing and often inadequate test suites, which results in false claims of equivalence and ineffective translation repair. We develop MatchFixAgent, a large language model (LLM)-based, PL-agnostic framework for equivalence validation and repair of translations. MatchFixAgent features a multi-agent architecture that divides equivalence validation into several sub-tasks to ensure thorough and consistent semantic analysis of the translation. Then it feeds this analysis to test agent to write and execute tests. Upon observing a test failure, the repair agent attempts to fix the translation bug. The final (in)equivalence decision is made by the verdict agent, considering semantic analyses and test execution results. We compare MatchFixAgent's validation and repair results with four repository-level code translation techniques. We use 2,219 translation pairs from their artifacts, which cover 6 PL pairs, and are collected from 24 GitHub projects totaling over 900K lines of code. Our results demonstrate that MatchFixAgent produces (in)equivalence verdicts for 99.2% of translation pairs, with the same equivalence validation result as prior work on 72.8% of them. When MatchFixAgent's result disagrees with prior work, we find that 60.7% of the time MatchFixAgent's result is actually correct. In addition, we show that MatchFixAgent can repair 50.6% of inequivalent translation, compared to prior work's 18.5%. This demonstrates that MatchFixAgent is far more adaptable to many PL pairs than prior work, while producing highly accurate validation results.
Authors: Luca Della Libera, Cem Subakan, Mirco Ravanelli
Abstract: Neural audio codecs are a fundamental component of modern generative audio pipelines. Although recent codecs achieve strong low-bitrate reconstruction and provide powerful representations for downstream tasks, most are non-streamable, limiting their use in real-time applications. We present FocalCodec-Stream, a hybrid codec based on focal modulation that compresses speech into a single binary codebook at 0.55 - 0.80 kbps with a theoretical latency of 80 ms. Our approach combines multi-stage causal distillation of WavLM with targeted architectural improvements, including a lightweight refiner module that enhances quality under latency constraints. Experiments show that FocalCodec-Stream outperforms existing streamable codecs at comparable bitrates, while preserving both semantic and acoustic information. The result is a favorable trade-off between reconstruction quality, downstream task performance, latency, and efficiency. Code and checkpoints will be released at https://github.com/lucadellalib/focalcodec.
Authors: Yanghao Li, Rui Qian, Bowen Pan, Haotian Zhang, Haoshuo Huang, Bowen Zhang, Jialing Tong, Haoxuan You, Xianzhi Du, Zhe Gan, Hyunjik Kim, Chao Jia, Zhenbang Wang, Yinfei Yang, Mingfei Gao, Zi-Yi Dou, Wenze Hu, Chang Gao, Dongxu Li, Philipp Dufter, Zirui Wang, Guoli Yin, Zhengdong Zhang, Chen Chen, Yang Zhao, Ruoming Pang, Zhifeng Chen
Abstract: Unified multimodal Large Language Models (LLMs) that can both understand and generate visual content hold immense potential. However, existing open-source models often suffer from a performance trade-off between these capabilities. We present Manzano, a simple and scalable unified framework that substantially reduces this tension by coupling a hybrid image tokenizer with a well-curated training recipe. A single shared vision encoder feeds two lightweight adapters that produce continuous embeddings for image-to-text understanding and discrete tokens for text-to-image generation within a common semantic space. A unified autoregressive LLM predicts high-level semantics in the form of text and image tokens, with an auxiliary diffusion decoder subsequently translating the image tokens into pixels. The architecture, together with a unified training recipe over understanding and generation data, enables scalable joint learning of both capabilities. Manzano achieves state-of-the-art results among unified models, and is competitive with specialist models, particularly on text-rich evaluation. Our studies show minimal task conflicts and consistent gains from scaling model size, validating our design choice of a hybrid tokenizer.
Authors: Lucas English, Mahdi Abolghasemi
Abstract: Renewable energy generation is of utmost importance for global decarbonization. Forecasting renewable energies, particularly wind energy, is challenging due to the inherent uncertainty in wind energy generation, which depends on weather conditions. Recent advances in hierarchical forecasting through reconciliation have demonstrated a significant increase in the quality of wind energy forecasts for short-term periods. We leverage the cross-sectional and temporal hierarchical structure of turbines in wind farms and build cross-temporal hierarchies to further investigate how integrated cross-sectional and temporal dimensions can add value to forecast accuracy in wind farms. We found that cross-temporal reconciliation was superior to individual cross-sectional reconciliation at multiple temporal aggregations. Additionally, machine learning based forecasts that were cross-temporally reconciled demonstrated high accuracy at coarser temporal granularities, which may encourage adoption for short-term wind forecasts. Empirically, we provide insights for decision-makers on the best methods for forecasting high-frequency wind data across different forecasting horizons and levels.
Authors: Mulugeta Weldezgina Asres, Christian Walter Omlin, Long Wang, David Yu, Pavel Parygin, Jay Dittmann, Georgia Karapostoli, Markus Seidel, Rosamaria Venditti, Luka Lambrecht, Emanuele Usai, Muhammad Ahmad, Javier Fernandez Menendez, Kaori Maeshima, the CMS-HCAL Collaboration
Abstract: The Compact Muon Solenoid (CMS) experiment is a general-purpose detector for high-energy collision at the Large Hadron Collider (LHC) at CERN. It employs an online data quality monitoring (DQM) system to promptly spot and diagnose particle data acquisition problems to avoid data quality loss. In this study, we present a semi-supervised spatio-temporal anomaly detection (AD) monitoring system for the physics particle reading channels of the Hadron Calorimeter (HCAL) of the CMS using three-dimensional digi-occupancy map data of the DQM. We propose the GraphSTAD system, which employs convolutional and graph neural networks to learn local spatial characteristics induced by particles traversing the detector and the global behavior owing to shared backend circuit connections and housing boxes of the channels, respectively. Recurrent neural networks capture the temporal evolution of the extracted spatial features. We validate the accuracy of the proposed AD system in capturing diverse channel fault types using the LHC collision data sets. The GraphSTAD system achieves production-level accuracy and is being integrated into the CMS core production system for real-time monitoring of the HCAL. We provide a quantitative performance comparison with alternative benchmark models to demonstrate the promising leverage of the presented system. Code: https://github.com/muleina/CMS_HCAL_ML_OnlineDQM .
Authors: Nuri Korhan, Samet Bayram
Abstract: Overfitting is a phenomenon that occurs when a machine learning model is trained for too long and focused too much on the exact fitness of the training samples to the provided training labels and cannot keep track of the predictive rules that would be useful on the test data. This phenomenon is commonly attributed to memorization of particular samples, memorization of the noise, and forced fitness into a data set of limited samples by using a high number of neurons. While it is true that the model encodes various peculiarities as the training process continues, we argue that most of the overfitting occurs in the process of reconciling sharply defined membership ratios. In this study, we present an approach that increases the classification accuracy of machine learning models by allowing the model to negotiate output representations of the samples with previously determined class labels. By setting up a negotiation between the models interpretation of the inputs and the provided labels, we not only increased average classification accuracy but also decreased the rate of overfitting without applying any other regularization tricks. By implementing our negotiation paradigm approach to several low regime machine learning problems by generating overfitting scenarios from publicly available data sets such as CIFAR 10, CIFAR 100, and MNIST we have demonstrated that the proposed paradigm has more capacity than its intended purpose. We are sharing the experimental results and inviting the machine learning community to explore the limits of the proposed paradigm. We also aim to incentive the community to exploit the negotiation paradigm to overcome the learning related challenges in other research fields such as continual learning. The Python code of the experimental setup is uploaded to GitHub.
Authors: Jakub Bia{\l}ek, Juhani Kivim\"aki, Wojtek Kuberski, Nikolaos Perrakis
Abstract: After deployment, machine learning models often experience performance degradation due to shifts in data distribution. It is challenging to assess post-deployment performance accurately when labels are missing or delayed. Existing proxy methods, such as data drift detection, fail to measure the effects of these shifts adequately. To address this, we introduce a new method for evaluating binary classification models on unlabeled tabular data that accurately estimates model performance under covariate shift and call it Probabilistic Adaptive Performance Estimation (PAPE). It can be applied to any performance metric defined with elements of the confusion matrix. Crucially, PAPE operates independently of the original model, relying only on its predictions and probability estimates, and does not need any assumptions about the nature of covariate shift, learning directly from data instead. We tested PAPE using over 900 dataset-model combinations from US census data, assessing its performance against several benchmarks through various metrics. Our findings show that PAPE outperforms other methodologies, making it a superior choice for estimating the performance of binary classification models.
Authors: Sacha Sokoloski
Abstract: Bayes' rule describes how to infer posterior beliefs about latent variables given observations, and inference is a critical step in learning algorithms for latent variable models (LVMs). Although there are exact algorithms for inference and learning for certain LVMs such as linear Gaussian models and mixture models, researchers must typically develop approximate inference and learning algorithms when applying novel LVMs. Here we study the line that separates LVMs that rely on approximation schemes from those that do not, and develop a general theory of exponential family LVMs for which inference and learning may be implemented exactly. Firstly, under mild assumptions about the exponential family form of the LVM, we derive a necessary and sufficient constraint on the parameters of the LVM under which the prior and posterior over the latent variables are in the same exponential family. We then show that a variety of well-known and novel models indeed have this constrained, exponential family form. Finally, we derive generalized inference and learning algorithms for these LVMs, and demonstrate them with a variety of examples. Our unified perspective facilitates both understanding and implementing exact inference and learning algorithms for a wide variety of models, and may guide researchers in the discovery of new models that avoid unnecessary approximations.
Authors: Xiumei Deng, Jun Li, Kang Wei, Long Shi, Zehui Xiong, Ming Ding, Wen Chen, Shi Jin, H. Vincent Poor
Abstract: Adaptive moment estimation (Adam), as a Stochastic Gradient Descent (SGD) variant, has gained widespread popularity in federated learning (FL) due to its fast convergence. However, federated Adam (FedAdam) algorithms suffer from a threefold increase in uplink communication overhead compared to federated SGD (FedSGD) algorithms, which arises from the necessity to transmit both local model updates and first and second moment estimates from distributed devices to the centralized server for aggregation. Driven by this issue, we propose a novel sparse FedAdam algorithm called FedAdam-SSM, wherein distributed devices sparsify the updates of local model parameters and moment estimates and subsequently upload the sparse representations to the centralized server. To further reduce the communication overhead, the updates of local model parameters and moment estimates incorporate a shared sparse mask (SSM) into the sparsification process, eliminating the need for three separate sparse masks. Theoretically, we develop an upper bound on the divergence between the local model trained by FedAdam-SSM and the desired model trained by centralized Adam, which is related to sparsification error and imbalanced data distribution. By minimizing the divergence bound between the model trained by FedAdam-SSM and centralized Adam, we optimize the SSM to mitigate the learning performance degradation caused by sparsification error. Additionally, we provide convergence bounds for FedAdam-SSM in both convex and non-convex objective function settings, and investigate the impact of local epoch, learning rate and sparsification ratio on the convergence rate of FedAdam-SSM. Experimental results show that FedAdam-SSM outperforms baselines in terms of convergence rate (over 1.1$\times$ faster than the sparse FedAdam baselines) and test accuracy (over 14.5\% ahead of the quantized FedAdam baselines).
Authors: Alain Ryser, Thomas M. Sutter, Alexander Marx, Julia E. Vogt
Abstract: Anomaly detection focuses on identifying samples that deviate from the norm. Discovering informative representations of normal samples is crucial to detecting anomalies effectively. Recent self-supervised methods have successfully learned such representations by employing prior knowledge about anomalies to create synthetic outliers during training. However, we often do not know what to expect from unseen data in specialized real-world applications. In this work, we address this limitation with our new approach Con$_2$, which leverages prior knowledge about symmetries in normal samples to observe the data in different contexts. Con$_2$ consists of two parts: Context Contrasting clusters representations according to their context, while Content Alignment encourages the model to capture semantic information by aligning the positions of normal samples across clusters. The resulting representation space allows us to detect anomalies as outliers of the learned context clusters. We demonstrate the benefit of this approach in extensive experiments on specialized medical datasets, outperforming competitive baselines based on self-supervised learning and pretrained models and presenting competitive performance on natural imaging benchmarks.
Authors: Qi Xiong, Kai Tang, Minbo Ma, Ji Zhang, Jie Xu, Tianrui Li
Abstract: Long-term time series forecasting (LTSF) is a critical task across diverse domains. Despite significant advancements in LTSF research, we identify a performance bottleneck in existing LTSF methods caused by the inadequate modeling of Temporal Dependencies within the Target (TDT). To address this issue, we propose a novel and generic temporal modeling framework, Temporal Dependency Alignment (TDAlign), that equips existing LTSF methods with TDT learning capabilities. TDAlign introduces two key innovations: 1) a loss function that aligns the change values between adjacent time steps in the predictions with those in the target, ensuring consistency with variation patterns, and 2) an adaptive loss balancing strategy that seamlessly integrates the new loss function with existing LTSF methods without introducing additional learnable parameters. As a plug-and-play framework, TDAlign enhances existing methods with minimal computational overhead, featuring only linear time complexity and constant space complexity relative to the prediction length. Extensive experiments on six strong LTSF baselines across seven real-world datasets demonstrate the effectiveness and flexibility of TDAlign. On average, TDAlign reduces baseline prediction errors by \textbf{1.47\%} to \textbf{9.19\%} and change value errors by \textbf{4.57\%} to \textbf{15.78\%}, highlighting its substantial performance improvements.
Authors: Pol G. Recasens, \'Ad\'am Horv\'ath, Alberto Gutierrez-Torre, Jordi Torres, Josep Ll. Berral, Bal\'azs Pej\'o
Abstract: Federated learning is increasingly popular as it enables multiple parties with limited datasets and resources to train a machine learning model collaboratively. However, similar to other collaborative systems, federated learning is vulnerable to free-riders - participants who benefit from the global model without contributing. Free-riders compromise the integrity of the learning process and slow down the convergence of the global model, resulting in increased costs for honest participants. To address this challenge, we propose FRIDA: free-rider detection using privacy attacks. Instead of focusing on implicit effects of free-riding, FRIDA utilizes membership and property inference attacks to directly infer evidence of genuine client training. Our extensive evaluation demonstrates that FRIDA is effective across a wide range of scenarios.
Authors: Aapo Hyv\"arinen
Abstract: The Langevin algorithm is a classic method for sampling from a given pdf in a real space. In its basic version, it only requires knowledge of the gradient of the log-density, also called the score function. However, in deep learning, it is often easier to learn the so-called "noisy-data score function", i.e. the gradient of the log-density of noisy data, more precisely when Gaussian noise is added to the data. Such an estimate is biased and complicates the use of the Langevin method. Here, we propose a noise-corrected version of the Langevin algorithm, where the bias due to noisy data is removed, at least regarding first-order terms. Unlike diffusion models, our algorithm only needs to know the noisy score function for one single noise level. We further propose a simple special case which has an interesting intuitive interpretation of iteratively adding noise the data and then attempting to remove half of that noise.
Authors: Daohan Su, Xunkai Li, Zhenjun Li, Yinping Liao, Rong-Hua Li, Guoren Wang
Abstract: Recently, graph neural network (GNN) has emerged as a powerful representation learning tool for graph-structured data. However, most approaches are tailored for undirected graphs, neglecting the abundant information in the edges of directed graphs (digraphs). In fact, digraphs are widely applied in the real world and confirmed to address heterophily challenges. Despite recent advancements, existing spatial- and spectral-based DiGNNs have limitations due to their complex learning mechanisms and reliance on high-quality topology, resulting in low efficiency and unstable performance. To address these issues, we propose Directed Random Walk (DiRW), a plug-and-play strategy for most spatial-based DiGNNs and also an innovative model which offers a new digraph learning paradigm. Specifically, it utilizes a direction-aware path sampler optimized from the perspectives of walk probability, length, and number in a weight-free manner by considering node profiles and topologies. Building upon this, DiRW incorporates a node-wise learnable path aggregator for generalized node representations. Extensive experiments on 9 datasets demonstrate that DiRW: (1) enhances most spatial-based methods as a plug-and-play strategy; (2) achieves SOTA performance as a new digraph learning paradigm. The source code and data are available at https://github.com/dhsiuu/DiRW.
Authors: Junyang He, Ying-Jung Chen, Alireza Jafari, Anushka Idamekorala, Geoffrey Fox
Abstract: There has been active investigation into deep learning approaches for time series analysis, including foundation models. However, most studies do not address significant scientific applications. This paper aims to identify key features in time series by examining hydrology data. Our work advances computer science by emphasizing critical application features and contributes to hydrology and other scientific fields by identifying modeling approaches that effectively capture these features. Scientific time series data are inherently complex, involving observations from multiple locations, each with various time-dependent data streams and exogenous factors that may be static or time-varying and either application-dependent or purely mathematical. This research analyzes hydrology time series from the CAMELS and Caravan global datasets, which encompass rainfall and runoff data across catchments, featuring up to six observed streams and 209 static parameters across approximately 8,000 locations. Our investigation assesses the impact of exogenous data through eight different model configurations for key hydrology tasks. Results demonstrate that integrating exogenous information enhances data representation, reducing mean squared error by up to 40% in the largest dataset. Additionally, we present a detailed performance comparison of over 20 state-of-the-art pattern and foundation models. The analysis is fully open-source, facilitated by Jupyter Notebook on Google Colab for LSTM-based modeling, data preprocessing, and model comparisons. Preliminary findings using alternative deep learning architectures reveal that models incorporating comprehensive observed and exogenous data outperform more limited approaches, including foundation models. Notably, natural annual periodic exogenous time series contribute the most significant improvements, though static and other periodic factors are also valuable.
Authors: Jean Feng, Avni Kothari, Luke Zier, Chandan Singh, Yan Shuo Tan
Abstract: Concept Bottleneck Models (CBMs) have been proposed as a compromise between white-box and black-box models, aiming to achieve interpretability without sacrificing accuracy. The standard training procedure for CBMs is to predefine a candidate set of human-interpretable concepts, extract their values from the training data, and identify a sparse subset as inputs to a transparent prediction model. However, such approaches are often hampered by the tradeoff between exploring a sufficiently large set of concepts versus controlling the cost of obtaining concept extractions, resulting in a large interpretability-accuracy tradeoff. This work investigates a novel approach that sidesteps these challenges: BC-LLM iteratively searches over a potentially infinite set of concepts within a Bayesian framework, in which Large Language Models (LLMs) serve as both a concept extraction mechanism and prior. Even though LLMs can be miscalibrated and hallucinate, we prove that BC-LLM can provide rigorous statistical inference and uncertainty quantification. Across image, text, and tabular datasets, BC-LLM outperforms interpretable baselines and even black-box models in certain settings, converges more rapidly towards relevant concepts, and is more robust to out-of-distribution samples.
Authors: Mahdi Saki, Rasool Keshavarz, Daniel Franklin, Mehran Abolhasan, Justin Lipman, Negin Shariati
Abstract: This review explores recent advancements in data fusion techniques and Transformer-based remote sensing applications in precision agriculture. Using a systematic, data-driven approach, we analyze research trends from 1994 to 2024, identifying key developments in data fusion, remote sensing, and AI-driven agricultural monitoring. While traditional machine learning and deep learning approaches have demonstrated effectiveness in agricultural decision-making, challenges such as limited scalability, suboptimal feature extraction, and reliance on extensive labeled data persist. This study examines the comparative advantages of Transformer-based fusion methods, particularly their ability to model spatiotemporal dependencies and integrate heterogeneous datasets for applications in soil analysis, crop classification, yield prediction, and disease detection. A comparative analysis of multimodal data fusion approaches is conducted, evaluating data types, fusion techniques, and remote sensing platforms. We demonstrate how Transformers outperform conventional models by enhancing prediction accuracy, mitigating feature redundancy, and optimizing large-scale data integration. Furthermore, we propose a structured roadmap for implementing data fusion in agricultural remote sensing, outlining best practices for ground-truth data selection, platform integration, and fusion model design. By addressing key research gaps and providing a strategic framework, this review offers valuable insights for advancing precision agriculture through AI-driven data fusion techniques.
Authors: Nikolaos Tsilivis, Eitan Gronich, Gal Vardi, Julia Kempe
Abstract: We study the implicit bias of the general family of steepest descent algorithms with infinitesimal learning rate in deep homogeneous neural networks. We show that: (a) an algorithm-dependent geometric margin starts increasing once the networks reach perfect training accuracy, and (b) any limit point of the training trajectory corresponds to a KKT point of the corresponding margin-maximization problem. We experimentally zoom into the trajectories of neural networks optimized with various steepest descent algorithms, highlighting connections to the implicit bias of popular adaptive methods (Adam and Shampoo).
Authors: Hanning Zhang, Pengcheng Wang, Shizhe Diao, Yong Lin, Rui Pan, Hanze Dong, Dylan Zhang, Pavlo Molchanov, Tong Zhang
Abstract: Large language models (LLMs) have shown promise in performing complex multi-step reasoning, yet they continue to struggle with mathematical reasoning, often making systematic errors. A promising solution is reinforcement learning (RL) guided by reward models, particularly those focusing on process rewards, which score each intermediate step rather than solely evaluating the final outcome. This approach is more effective at guiding policy models towards correct reasoning trajectories. In this work, we propose an entropy-regularized process reward model (ER-PRM) that integrates KL-regularized Markov Decision Processes (MDP) to balance policy optimization with the need to prevent the policy from shifting too far from its initial distribution. We derive a novel reward construction method based on the theoretical results. Our theoretical analysis shows that we could derive the optimal reward model from the initial policy sampling. Our empirical experiments on the MATH and GSM8K benchmarks demonstrate that ER-PRM consistently outperforms existing process reward models, achieving 1% improvement on GSM8K and 2-3% improvement on MATH under best-of-N evaluation, and more than 1% improvement under RLHF. These results highlight the efficacy of entropy-regularization in enhancing LLMs' reasoning capabilities.
Authors: Shuya Tobari, Shuhei Tomoshige, Hayato Muraki, Kenichi Oishi, Hitoshi Iyatomi
Abstract: When conducting large-scale studies that collect brain MR images from multiple facilities, the impact of differences in imaging equipment and protocols at each site cannot be ignored, and this domain gap has become a significant issue in recent years. In this study, we propose a new low-dimensional representation (LDR) acquisition method called style encoder adversarial domain adaptation (SE-ADA) to realize content-based image retrieval (CBIR) of brain MR images. SE-ADA reduces domain differences while preserving pathological features by separating domain-specific information from LDR and minimizing domain differences using adversarial learning. In evaluation experiments comparing SE-ADA with recent domain harmonization methods on eight public brain MR datasets (ADNI1/2/3, OASIS1/2/3/4, PPMI), SE-ADA effectively removed domain information while preserving key aspects of the original brain structure and demonstrated the highest disease search accuracy.
Authors: Kanata Oowada, Hideaki Iiduka
Abstract: We theoretically analyzed the convergence behavior of Riemannian stochastic gradient descent (RSGD) and found that using an increasing batch size leads to faster convergence than using a constant batch size, not only with a constant learning rate but also with a decaying learning rate, such as cosine annealing decay and polynomial decay. The convergence rate improves from $O(T^{-1}+C)$ with a constant batch size to $O(T^{-1})$ with an increasing batch size, where $T$ denotes the total number of iterations and $C$ is a constant. Using principal component analysis and low-rank matrix completion, we investigated, both theoretically and numerically, how an increasing batch size affects computational time as quantified by stochastic first-order oracle (SFO) complexity. An increasing batch size was found to reduce the SFO complexity of RSGD. Furthermore, an increasing batch size was found to offer the advantages of both small and large constant batch sizes.
Authors: Sifan Wang, Ananyae Kumar Bhartari, Bowen Li, Paris Perdikaris
Abstract: Multi-task learning through composite loss functions is fundamental to modern deep learning, yet optimizing competing objectives remains challenging. We present new theoretical and practical approaches for addressing directional conflicts between loss terms, demonstrating their effectiveness in physics-informed neural networks (PINNs) where such conflicts are particularly challenging to resolve. Through theoretical analysis, we demonstrate how these conflicts limit first-order methods and show that second-order optimization naturally resolves them through implicit gradient alignment. We prove that SOAP, a recently proposed quasi-Newton method, efficiently approximates the Hessian preconditioner, enabling breakthrough performance in PINNs: state-of-the-art results on 10 challenging PDE benchmarks, including the first successful application to turbulent flows with Reynolds numbers up to 10,000, with 2-10x accuracy improvements over existing methods. We also introduce a novel gradient alignment score that generalizes cosine similarity to multiple gradients, providing a practical tool for analyzing optimization dynamics. Our findings establish frameworks for understanding and resolving gradient conflicts, with broad implications for optimization beyond scientific computing.
Authors: Zhaoxian Wu, Quan Xiao, Tayfun Gokmen, Omobayode Fagbohungbe, Tianyi Chen
Abstract: As the economic and environmental costs of training and deploying large vision or language models increase dramatically, analog in-memory computing (AIMC) emerges as a promising energy-efficient solution. However, the training perspective, especially its training dynamic, is underexplored. In AIMC hardware, the trainable weights are represented by the conductance of resistive elements and updated using consecutive electrical pulses. While the conductance changes by a constant in response to each pulse, in reality, the change is scaled by asymmetric and non-linear \textit{response functions}, leading to a non-ideal training dynamic. This paper provides a theoretical foundation for gradient-based training on AIMC hardware with non-ideal response functions. We demonstrate that asymmetric response functions negatively impact Analog SGD by imposing an implicit penalty on the objective. To overcome the issue, we propose Residual Learning algorithm, which provably converges exactly to a critical point by solving a bilevel optimization problem. We demonstrate that the proposed method can be extended to address other hardware imperfections, such as limited response granularity. As we know, it is the first paper to investigate the impact of a class of generic non-ideal response functions. The conclusion is supported by simulations validating our theoretical insights.
Authors: Ishika Agarwal, Dilek Hakkani-T\"ur
Abstract: Influence functions provide crucial insights into model training, but existing methods suffer from large computational costs and limited generalization. Particularly, recent works have proposed various metrics and algorithms to calculate the influence of data using language models, which do not scale well with large models and datasets. This is because of the expensive forward and backward passes required for computation, substantial memory requirements to store large models, and poor generalization of influence estimates to new data. In this paper, we explore the use of small neural networks -- which we refer to as the InfluenceNetwork -- to estimate influence values, achieving up to 99% cost reduction. Our evaluation demonstrates that influence values can be estimated with models just 0.0027% the size of full language models (we use 7B and 8B versions). We apply our algorithm of estimating influence values (called NN-CIFT: Neural Networks for effiCient Instruction Fine-Tuning) to the downstream task of subset selection for general instruction fine-tuning. In our study, we include four state-of-the-art influence functions and show no compromise in performance, despite large speedups, between NN-CIFT and the original influence functions. We provide an in-depth hyperparameter analyses of NN-CIFT. The code for our method can be found here: https://github.com/agarwalishika/NN-CIFT.
Authors: Habib Irani, Vangelis Metsis
Abstract: Recent advancements in transformer-based models have greatly improved time series analysis, providing robust solutions for tasks such as forecasting, anomaly detection, and classification. A crucial element of these models is positional encoding, which allows transformers to capture the intrinsic sequential nature of time series data. This survey systematically examines existing techniques for positional encoding in transformer-based time series models. We investigate a variety of methods, including fixed, learnable, relative, and hybrid approaches, and evaluate their effectiveness in different time series classification tasks. Our findings indicate that data characteristics like sequence length, signal complexity, and dimensionality significantly influence method effectiveness. Advanced positional encoding methods exhibit performance gains in terms of prediction accuracy, however, they come at the cost of increased computational complexity. Furthermore, we outline key challenges and suggest potential research directions to enhance positional encoding strategies. By delivering a comprehensive overview and quantitative benchmarking, this survey intends to assist researchers and practitioners in selecting and designing effective positional encoding methods for transformer-based time series models.
Authors: Mingyuan Wu, Jize Jiang, Haozhen Zheng, Meitang Li, Zhaoheng Li, Beitong Tian, Bo Chen, Yongjoo Park, Minjia Zhang, Chengxiang Zhai, Klara Nahrstedt
Abstract: Vision Language Models (VLMs) have achieved remarkable success in a wide range of vision applications of increasing complexity and scales, yet choosing the right VLM model size involves a trade-off between response quality and cost. While smaller VLMs are cheaper to run, they typically produce responses only marginally better than random guessing on benchmarks such as MMMU. In this paper, we propose Cache of Thought (CoT), a master apprentice framework for collaborative inference between large and small VLMs. CoT manages high quality query results from large VLMs (master) in a cache, which are then selected via a novel multi modal retrieval and in-context learning to aid the performance of small VLMs (apprentice). We extensively evaluate CoT on various widely recognized and challenging general reasoning benchmarks, and show that CoT increases overall reasoning performance by up to 7.7% under the same budget, and specifically boosts the performance of apprentice VLMs by up to 36.6%. Our code is available at https://github.com/UIUC-MONET/Cache-of-Thoughts
Authors: Xiao Yue, Guangzhi Qu, Lige Gan
Abstract: One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level interpretation methods have been developed to explain what patterns maximize probability of predicting to a certain class. However, existing model-level interpretation methods pose several limitations such as generating invalid explanation graphs and lacking reliability. In this paper, we propose a new Generative Interpretation Network for Model-Level Explanation of Graph Neural Networks (GIN-Graph), to generate reliable and high-quality model-level explanation graphs. The implicit and likelihood-free generative adversarial networks are exploited to construct the explanation graphs which are similar to original graphs, meanwhile maximizing the prediction probability for a certain class by adopting a novel objective function for generator with dynamic loss weight scheme. Experimental results indicate that GIN-Graph can be applied to interpret GNNs trained on a variety of graph datasets and generate high-quality explanation graphs with high stability and reliability.
Authors: Da Long, Shandian Zhe, Samuel Williams, Leonid Oliker, Zhe Bai
Abstract: Simulating the long-term dynamics of multi-scale and multi-physics systems poses a significant challenge in understanding complex phenomena across science and engineering. The complexity arises from the intricate interactions between scales and the interplay of diverse physical processes, which manifest in PDEs through coupled, nonlinear terms that govern the evolution of multiple physical fields across scales. Neural operators have shown potential in short-term prediction of such complex spatio-temporal dynamics; however, achieving stable high-fidelity predictions and providing robust uncertainty quantification over extended time horizons remains an open and unsolved area of research. These limitations often lead to stability degradation with rapid error accumulation, particularly in long-term forecasting of systems characterized by multi-scale behaviors involving dynamics of different orders. To address these challenges, we propose an autoregressive Spatio-temporal Fourier Transformer (StFT), in which each transformer block is designed to learn the system dynamics at a distinct scale through a dual-path architecture that integrates frequency-domain and spatio-temporal representations. By leveraging a structured hierarchy of \ours blocks, the resulting model explicitly captures the underlying dynamics across both macro- and micro- spatial scales. Furthermore, a generative residual correction mechanism is introduced to learn a probabilistic refinement temporally while simultaneously quantifying prediction uncertainties, enhancing both the accuracy and reliability of long-term probabilistic forecasting. Evaluations conducted on three benchmark datasets (plasma, fluid, and atmospheric dynamics) demonstrate the advantages of our approach over state-of-the-art ML methods.
Authors: Guoyou Sun, Panagiotis Karras, Qi Zhang
Abstract: Semantic communication has emerged as a promising paradigm to tackle the challenges of massive growing data traffic and sustainable data communication. It shifts the focus from data fidelity to goal-oriented or task-oriented semantic transmission. While deep learning-based methods are commonly used for semantic encoding and decoding, they struggle with the sequential nature of time series data and high computation cost, particularly in resource-constrained IoT environments. Data compression plays a crucial role in reducing transmission and storage costs, yet traditional data compression methods fall short of the demands of goal-oriented communication systems. In this paper, we propose a novel method for direct analytics on time series data compressed by the SHRINK compression algorithm. Through experimentation using outlier detection as a case study, we show that our method outperforms baselines running on uncompressed data in multiple cases, with merely 1% difference in the worst case. Additionally, it achieves four times lower runtime on average and accesses approximately 10% of the data volume, which enables edge analytics with limited storage and computation power. These results demonstrate that our approach offers reliable, high-speed outlier detection analytics for diverse IoT applications while extracting semantics from time-series data, achieving high compression, and reducing data transmission.
Authors: Yubo Li, Xinyu Yao, Rema Padman
Abstract: Despite the outstanding performance of deep learning models in clinical prediction tasks, explainability remains a significant challenge. Inspired by transformer architectures, we introduce the Temporal-Feature Cross Attention Mechanism (TFCAM), a novel deep learning framework designed to capture dynamic interactions among clinical features across time, enhancing both predictive accuracy and interpretability. In an experiment with 1,422 patients with Chronic Kidney Disease, predicting progression to End-Stage Renal Disease, TFCAM outperformed LSTM and RETAIN baselines, achieving an AUROC of 0.95 and an F1-score of 0.69. Beyond performance gains, TFCAM provides multi-level explainability by identifying critical temporal periods, ranking feature importance, and quantifying how features influence each other across time before affecting predictions. Our approach addresses the "black box" limitations of deep learning in healthcare, offering clinicians transparent insights into disease progression mechanisms while maintaining state-of-the-art predictive performance.
Authors: Xinyu Luo, Kecheng Chen, Pao-Sheng Vincent Sun, Chris Xing Tian, Arindam Basu, Haoliang Li
Abstract: Spiking Neural Networks (SNNs), as a biologically plausible alternative to Artificial Neural Networks (ANNs), have demonstrated advantages in terms of energy efficiency, temporal processing, and biological plausibility. However, SNNs are highly sensitive to distribution shifts, which can significantly degrade their performance in real-world scenarios. Traditional test-time adaptation (TTA) methods designed for ANNs often fail to address the unique computational dynamics of SNNs, such as sparsity and temporal spiking behavior. To address these challenges, we propose SPike-Aware Consistency Enhancement (SPACE), the first source-free and single-instance TTA method specifically designed for SNNs. SPACE leverages the inherent spike dynamics of SNNs to maximize the consistency of spike-behavior-based local feature maps across augmented versions of a single test sample, enabling robust adaptation without requiring source data. We evaluate SPACE on multiple datasets. Furthermore, SPACE exhibits robust generalization across diverse network architectures, consistently enhancing the performance of SNNs on CNNs, Transformer, and ConvLSTM architectures. Experimental results show that SPACE outperforms state-of-the-art ANN methods while maintaining lower computational cost, highlighting its effectiveness and robustness for SNNs in real-world settings. The code will be available at https://github.com/ethanxyluo/SPACE.
Authors: Jonathan Adam Rico, Nagarajan Raghavan, Senthilnath Jayavelu
Abstract: Fault diagnosis prevents train disruptions by ensuring the stability and reliability of their transmission systems. Data-driven fault diagnosis models have several advantages over traditional methods in terms of dealing with non-linearity, adaptability, scalability, and automation. However, existing data-driven models are trained on separate transmission components and only consider single faults due to the limitations of existing datasets. These models will perform worse in scenarios where components operate with each other at the same time, affecting each component's vibration signals. To address some of these challenges, we propose a frequency domain representation and a 1-dimensional convolutional neural network for compound fault diagnosis and applied it on the PHM Beijing 2024 dataset, which includes 21 sensor channels, 17 single faults, and 42 compound faults from 4 interacting components, that is, motor, gearbox, left axle box, and right axle box. Our proposed model achieved 97.67% and 93.93% accuracies on the test set with 17 single faults and on the test set with 42 compound faults, respectively.
Authors: Henrik Krauss, Takehisa Yairi
Abstract: This study introduces a novel method for revealing human internal attention patterns from gameplay data alone, leveraging offline attention techniques from reinforcement learning (RL). We propose contextualized, task-relevant (CTR) attention networks, which generate attention maps from both human and RL agent gameplay in Atari environments. To evaluate whether the human CTR maps reveal internal attention, we validate our model by quantitative and qualitative comparison to the agent maps as well as to a temporally integrated overt attention (TIOA) model based on human eye-tracking data. Our results show that human CTR maps are more sparse than the agent ones and align better with the TIOA maps. Following a qualitative visual comparison we conclude that they likely capture patterns of internal attention. As a further application, we use these maps to guide RL agents, finding that human internal attention-guided agents achieve slightly improved and more stable learning compared to baselines. This work advances the understanding of human-agent attention differences and provides a new approach for extracting and validating internal attention from behavioral data.
Authors: Hangtao Zhang, Zhe Li, Kairui Zhang
Abstract: A primary challenge in ITE estimation is sample selection bias. Traditional approaches utilize treatment regularization techniques such as the Integral Probability Metrics (IPM), re-weighting, and propensity score modeling to mitigate this bias. However, these regularizations may introduce undesirable information loss and limit the performance of the model. Furthermore, treatment effects vary across different external contexts, and the existing methods are insufficient in fully interacting with and utilizing these contextual features. To address these issues, we propose a Context-Aware uplift model based on the Two-Stage training approach (TSCAN), comprising CAN-U and CAN-D sub-models. In the first stage, we train an uplift model, called CAN-U, which includes the treatment regularizations of IPM and propensity score prediction, to generate a complete dataset with counterfactual uplift labels. In the second stage, we train a model named CAN-D, which utilizes an isotonic output layer to directly model uplift effects, thereby eliminating the reliance on the regularization components. CAN-D adaptively corrects the errors estimated by CAN-U through reinforcing the factual samples, while avoiding the negative impacts associated with the aforementioned regularizations. Additionally, we introduce a Context-Aware Attention Layer throughout the two-stage process to manage the interactions between treatment, merchant, and contextual features, thereby modeling the varying treatment effect in different contexts. We conduct extensive experiments on two real-world datasets to validate the effectiveness of TSCAN. Ultimately, the deployment of our model for real-world merchant diagnosis on one of China's largest online food ordering platforms validates its practical utility and impact.
Authors: Xianjin Yang, Jingguo Zhang
Abstract: We propose a Gaussian Process (GP)-based policy iteration framework for addressing both forward and inverse problems in Hamilton--Jacobi--Bellman (HJB) equations and mean field games (MFGs). Policy iteration is formulated as an alternating procedure between solving the value function under a fixed control policy and updating the policy based on the resulting value function. By exploiting the linear structure of GPs for function approximation, each policy evaluation step admits an explicit closed-form solution, eliminating the need for numerical optimization. To improve convergence, we incorporate the additive Schwarz acceleration as a preconditioning step following each policy update. Numerical experiments demonstrate the effectiveness of Schwarz acceleration in improving computational efficiency.
Authors: Ziqing Qiao, Yongheng Deng, Jiali Zeng, Dong Wang, Lai Wei, Guanbo Wang, Fandong Meng, Jie Zhou, Ju Ren, Yaoxue Zhang
Abstract: Large Reasoning Models (LRMs) perform strongly in complex reasoning tasks via Chain-of-Thought (CoT) prompting, but often suffer from verbose outputs, increasing computational overhead. Existing fine-tuning-based compression methods either operate post-hoc pruning, risking disruption to reasoning coherence, or rely on sampling-based selection, which fails to remove redundant content thoroughly. To address these limitations, this work begins by framing two key patterns of redundant reflection in LRMs--Confidence Deficit, wherein the model reflects on correct intermediate steps, and Termination Delay, where reflection continues after a verified, confident answer--through a confidence-guided perspective. Based on this, we introduce ConCISE (Confidence-guided Compression In Step-by-step Efficient Reasoning), a framework designed to generate concise reasoning chains, integrating Confidence Injection to boost reasoning confidence, and Early Stopping to terminate reasoning when confidence is sufficient. Extensive experiments demonstrate that compared to baseline methods, fine-tuning LRMs on ConCISE-generated data yields a better balance between compression and task performance, reducing length by up to approximately 50% under SimPO, while maintaining high task accuracy.
Authors: Aryan Mishra, Lizhen Lin
Abstract: Graph Neural Networks (GNNs) offer a principled framework for learning over graph-structured data, yet their expressive capacity is often hindered by over-squashing, wherein information from distant nodes is compressed into fixed-size vectors. Existing solutions, including graph rewiring and bottleneck-resistant architectures such as Cayley and expander graphs, avoid this problem but introduce scalability bottlenecks. In particular, the Cayley graphs constructed over $SL(2,\mathbb{Z}_n)$ exhibit strong theoretical properties, yet suffer from cubic node growth $O(n^3)$, leading to high memory usage. To address this, this work introduces Schrier-Coset Graph Propagation (SCGP), a group-theoretic augmentation method that enriches node features through Schreier-coset embeddings without altering the input graph topology. SCGP embeds bottleneck-free connectivity patterns into a compact feature space, improving long-range message passing while maintaining computational efficiency. Empirical evaluations across standard node and graph classification benchmarks demonstrate that SCGP achieves performance comparable to, or exceeding, expander graph and rewired GNN baselines. Furthermore, SCGP exhibits particular advantages in processing hierarchical and modular graph structures, offering reduced inference latency, improved scalability, and a low memory footprint, making it suitable for real-time and resource-constrained applications.
Authors: Yuanzhao Zhang, William Gilpin
Abstract: Recent time-series foundation models exhibit strong abilities to predict physical systems. These abilities include zero-shot forecasting, in which a model forecasts future states of a system given only a short trajectory as context, without knowledge of the underlying physics. Here, we show that foundation models often forecast through a simple parroting strategy, and when they are not parroting they exhibit some shared failure modes such as converging to the mean. As a result, a naive context parroting model that copies directly from the context scores higher than leading time-series foundation models on predicting a diverse range of dynamical systems, including low-dimensional chaos, turbulence, coupled oscillators, and electrocardiograms -- and at a tiny fraction of the computational cost. We draw a parallel between context parroting and induction heads, which explains recent works showing that large language models can often be repurposed for time series forecasting. Our dynamical systems perspective also ties the scaling between forecast accuracy and context length to the fractal dimension of the underlying chaotic attractor, providing insight into previously observed in-context neural scaling laws. By revealing the performance gaps and failure modes of current time-series foundation models, context parroting can guide the design of future foundation models and help identify in-context learning strategies beyond parroting.
Authors: Tianheng Ling, Chao Qian, Lukas Johannes Ha{\ss}ler, Gregor Schiele
Abstract: Transformer-based models have shown strong performance across diverse time-series tasks, but their deployment on resource-constrained devices remains challenging due to high memory and computational demand. While prior work targeting Microcontroller Units (MCUs) has explored hardware-specific optimizations, such approaches are often task-specific and limited to 8-bit fixed-point precision. Field-Programmable Gate Arrays (FPGAs) offer greater flexibility, enabling fine-grained control over data precision and architecture. However, existing FPGA-based deployments of Transformers for time-series analysis typically focus on high-density platforms with manual configuration. This paper presents a unified and fully automated deployment framework for Tiny Transformers on embedded FPGAs. Our framework supports a compact encoder-only Transformer architecture across three representative time-series tasks (forecasting, classification, and anomaly detection). It combines quantization-aware training (down to 4 bits), hardware-aware hyperparameter search using Optuna, and automatic VHDL generation for seamless deployment. We evaluate our framework on six public datasets across two embedded FPGA platforms. Results show that our framework produces integer-only, task-specific Transformer accelerators achieving as low as 0.033 mJ per inference with millisecond latency on AMD Spartan-7, while also providing insights into deployment feasibility on Lattice iCE40. All source code will be released in the GitHub repository (https://github.com/Edwina1030/TinyTransformer4TS).
Authors: Mengran Li, Pengyu Zhang, Wenbin Xing, Yijia Zheng, Klim Zaporojets, Junzhou Chen, Ronghui Zhang, Yong Zhang, Siyuan Gong, Jia Hu, Xiaolei Ma, Zhiyuan Liu, Paul Groth, Marcel Worring
Abstract: Graphs are a widely used paradigm for representing non-Euclidean data, with applications ranging from social network analysis to biomolecular prediction. While graph learning has achieved remarkable progress, real-world graph data presents a number of challenges that significantly hinder the learning process. In this survey, we focus on four fundamental data-centric challenges: (1) Incompleteness, real-world graphs have missing nodes, edges, or attributes; (2) Imbalance, the distribution of the labels of nodes or edges and their structures for real-world graphs are highly skewed; (3) Cross-domain Heterogeneity, graphs from different domains exhibit incompatible feature spaces or structural patterns; and (4) Dynamic Instability, graphs evolve over time in unpredictable ways. Recently, Large Language Models (LLMs) offer the potential to tackle these challenges by leveraging rich semantic reasoning and external knowledge. This survey focuses on how LLMs can address four fundamental data-centric challenges in graph-structured data, thereby improving the effectiveness of graph learning. For each challenge, we review both traditional solutions and modern LLM-driven approaches, highlighting how LLMs contribute unique advantages. Finally, we discuss open research questions and promising future directions in this emerging interdisciplinary field. To support further exploration, we have curated a repository of recent advances on graph learning challenges: https://github.com/limengran98/Awesome-Literature-Graph-Learning-Challenges.
URLs: https://github.com/limengran98/Awesome-Literature-Graph-Learning-Challenges.
Authors: Zhaokun Wang, Jinyu Guo, Jingwen Pu, Lingfeng Chen, Hongli Pu, Jie Ou, Libo Qin, Wenhong Tian
Abstract: Current parameter-efficient fine-tuning methods for adapting pre-trained language models to downstream tasks are susceptible to interference from noisy data. Conventional noise-handling approaches either rely on laborious data pre-processing or employ model architecture modifications prone to error accumulation. In contrast to existing noise-process paradigms, we propose a noise-robust adaptation method via asymmetric LoRA poisoning experts (LoPE), a novel framework that enhances model robustness to noise only with generated noisy data. Drawing inspiration from the mixture-of-experts architecture, LoPE strategically integrates a dedicated poisoning expert in an asymmetric LoRA configuration. Through a two-stage paradigm, LoPE performs noise injection on the poisoning expert during fine-tuning to enhance its noise discrimination and processing ability. During inference, we selectively mask the dedicated poisoning expert to leverage purified knowledge acquired by normal experts for noise-robust output. Extensive experiments demonstrate that LoPE achieves strong performance and robustness purely through the low-cost noise injection, which completely eliminates the requirement of data cleaning.
Authors: Narmeen Oozeer, Luke Marks, Fazl Barez, Amirali Abdullah
Abstract: Controlling multiple behavioral attributes in large language models (LLMs) at inference time is a challenging problem due to interference between attributes and the limitations of linear steering methods, which assume additive behavior in activation space and require per-attribute tuning. We introduce K-Steering, a unified and flexible approach that trains a single non-linear multi-label classifier on hidden activations and computes intervention directions via gradients at inference time. This avoids linearity assumptions, removes the need for storing and tuning separate attribute vectors, and allows dynamic composition of behaviors without retraining. To evaluate our method, we propose two new benchmarks, ToneBank and DebateMix, targeting compositional behavioral control. Empirical results across 3 model families, validated by both activation-based classifiers and LLM-based judges, demonstrate that K-Steering outperforms strong baselines in accurately steering multiple behaviors.
Authors: Ming Hu, Jianfu Yin, Mingyu Dou, Yuqi Wang, Ruochen Dang, Siyi Liang, Feiyu Zhu, Cong Hu, Yao Wang, Bingliang Hu, Quan Wang
Abstract: The automatic classification of medical time series signals, such as electroencephalogram (EEG) and electrocardiogram (ECG), plays a pivotal role in clinical decision support and early detection of diseases. Although Transformer based models have achieved notable performance by implicitly modeling temporal dependencies through self-attention mechanisms, their inherently complex architectures and opaque reasoning processes undermine their trustworthiness in high stakes clinical settings. In response to these limitations, this study shifts focus toward a modeling paradigm that emphasizes structural transparency, aligning more closely with the intrinsic characteristics of medical data. We propose a novel method, Channel Imposed Fusion (CIF), which enhances the signal-to-noise ratio through cross-channel information fusion, effectively reduces redundancy, and improves classification performance. Furthermore, we integrate CIF with the Temporal Convolutional Network (TCN), known for its structural simplicity and controllable receptive field, to construct an efficient and explicit classification framework. Experimental results on multiple publicly available EEG and ECG datasets demonstrate that the proposed method not only outperforms existing state-of-the-art (SOTA) approaches in terms of various classification metrics, but also significantly enhances the transparency of the classification process, offering a novel perspective for medical time series classification.
Authors: Tong Xiao, Xin Xu, Zhenya Huang, Hongyu Gao, Quan Liu, Qi Liu, Enhong Chen
Abstract: Enhancing the multimodal reasoning capabilities of Multimodal Large Language Models (MLLMs) is a challenging task that has attracted increasing attention in the community. Recently, several studies have applied Reinforcement Learning with Verifiable Rewards (RLVR) to the multimodal domain in order to enhance the reasoning abilities of MLLMs. However, these works largely overlook the enhancement of multimodal perception capabilities in MLLMs, which serve as a core prerequisite and foundational component of complex multimodal reasoning. Through McNemar's test, we find that existing RLVR method fails to effectively enhance the multimodal perception capabilities of MLLMs, thereby limiting their further improvement in multimodal reasoning. To address this limitation, we propose Perception-R1, which introduces a novel visual perception reward that explicitly encourages MLLMs to perceive the visual content accurately, thereby can effectively incentivizing both their multimodal perception and reasoning capabilities. Specifically, we first collect textual visual annotations from the CoT trajectories of multimodal problems, which will serve as visual references for reward assignment. During RLVR training, we employ a judging LLM to assess the consistency between the visual annotations and the responses generated by MLLM, and assign the visual perception reward based on these consistency judgments. Extensive experiments on several multimodal reasoning benchmarks demonstrate the effectiveness of our Perception-R1, which achieves state-of-the-art performance on most benchmarks using only 1,442 training data.
Authors: Yijun Bian, Lei You, Yuya Sasaki, Haruka Maeda, Akira Igarashi
Abstract: The rapid trend of deploying artificial intelligence (AI) and machine learning (ML) systems in socially consequential domains has raised growing concerns about their trustworthiness, including potential discriminatory behaviours. Research in algorithmic fairness has generated a proliferation of mathematical definitions and metrics, yet persistent misconceptions and limitations -- both within and beyond the fairness community -- limit their effectiveness, such as an unreached consensus on its understanding, prevailing measures primarily tailored to binary group settings, and superficial handling for intersectional contexts. Here we critically remark on these misconceptions and argue that fairness cannot be reduced to purely technical constraints on models; we also examine the limitations of existing fairness measures through conceptual analysis and empirical illustrations, showing their limited applicability in the face of complex real-world scenarios, challenging prevailing views on the incompatibility between accuracy and fairness as well as that among fairness measures themselves, and outlining three worth-considering principles in the design of fairness measures. We believe these findings will help bridge the gap between technical formalisation and social realities and meet the challenges of real-world AI/ML deployment.
Authors: Runpeng Yu, Qi Li, Xinchao Wang
Abstract: In this work, we provide a systematic survey of Discrete Diffusion Language Models (dLLMs) and Discrete Diffusion Multimodal Language Models (dMLLMs). Unlike autoregressive (AR) models, dLLMs and dMLLMs adopt a multi-token, parallel decoding paradigm using full attention and a denoising-based generation strategy. This paradigm naturally enables parallel generation, fine-grained output control, and dynamic perception. These capabilities are previously difficult to achieve with AR models. A growing number of industrial-scale proprietary d(M)LLMs, as well as a large number of open-source academic d(M)LLMs, have demonstrated performance comparable to their autoregressive counterparts, while achieving up to 10$\times$ acceleration in inference speed. These developments position discrete diffusion models as a promising alternative to intelligence based on the traditional autoregressive approach. In this work, we present a comprehensive overview of the research in the dLLM and dMLLM domains. We trace the historical development of dLLMs and dMLLMs, formalize the underlying mathematical frameworks, list commonly-used modeling methods, and categorize representative models. We further analyze key techniques for training, inference, quantization. We also discuss the trustworthy issues and summarize emerging applications across language, vision-language, and biological domains and etc.. We conclude by discussing future directions for research and deployment. Relative papers are collected in https://github.com/LiQiiiii/Awesome-Discrete-Diffusion-LLM_MLLM
URLs: https://github.com/LiQiiiii/Awesome-Discrete-Diffusion-LLM_MLLM
Authors: Laura Kopf, Nils Feldhus, Kirill Bykov, Philine Lou Bommer, Anna Hedstr\"om, Marina M. -C. H\"ohne, Oliver Eberle
Abstract: Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Within the context of large language models (LLMs) for natural language processing (NLP), current automated neuron-level feature description methods face two key challenges: limited robustness and the assumption that each neuron encodes a single concept (monosemanticity), despite increasing evidence of polysemanticity. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework specifically designed to capture the complexity of features in LLMs. Unlike approaches that assign a single description per neuron, common in many automated interpretability methods in NLP, PRISM produces more nuanced descriptions that account for both monosemantic and polysemantic behavior. We apply PRISM to LLMs and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).
Authors: Zhengpeng Feng, Clement Atzberger, Sadiq Jaffer, Jovana Knezevic, Silja Sormunen, Robin Young, Madeline C Lisaius, Markus Immitzer, Toby Jackson, James Ball, David A. Coomes, Anil Madhavapeddy, Andrew Blake, Srinivasan Keshav
Abstract: Petabytes of satellite Earth Observation (EO) data are freely available and can address critical global challenges. However, EO data quality is poor due to clouds and variable lighting conditions. To address this, practitioners typically use compositing, but this critically removes the temporal phenological signal. Moreover, supervised machine learning to map composited pixels to task-specific classes requires accurately labelled data that are rarely available. We present TESSERA, a pixel-oriented foundation model for EO time series that creates 128-dimensional latent embeddings requiring only a few labels for task-specific training to achieve state-of-the-art performance across diverse complex tasks. TESSERA uses two encoders that combine optical data with synthetic aperture radar backscatter coefficients at 10m resolution, creating embeddings fused with a multilayer perceptron to generate annual global embedding maps. TESSERA closely matches or outperforms state-of-the-art task-specific models and other foundation models across five diverse downstream tasks. It is unprecedented in ease of use, scale, and accuracy: no other open foundation model provides precomputed outputs with global, annual coverage at 10m resolution.
Authors: Kento Imaizumi, Hideaki Iiduka
Abstract: Momentum methods were originally introduced for their superiority to stochastic gradient descent (SGD) in deterministic settings with convex objective functions. However, despite their widespread application to deep neural networks -- a representative case of stochastic nonconvex optimization -- the theoretical justification for their effectiveness in such settings remains limited. Quasi-hyperbolic momentum (QHM) is an algorithm that generalizes various momentum methods and has been studied to better understand the class of momentum-based algorithms as a whole. In this paper, we provide both asymptotic and non-asymptotic convergence results for mini-batch QHM with an increasing batch size. We show that achieving asymptotic convergence requires either a decaying learning rate or an increasing batch size. Since a decaying learning rate adversely affects non-asymptotic convergence, we demonstrate that using mini-batch QHM with an increasing batch size -- without decaying the learning rate -- can be a more effective strategy. Our experiments show that even a finite increase in batch size can provide benefits for training neural networks.
Authors: Esraa Elelimy, Brett Daley, Andrew Patterson, Marlos C. Machado, Adam White, Martha White
Abstract: Achieving fast and stable off-policy learning in deep reinforcement learning (RL) is challenging. Most existing methods rely on semi-gradient temporal-difference (TD) methods for their simplicity and efficiency, but are consequently susceptible to divergence. While more principled approaches like Gradient TD (GTD) methods have strong convergence guarantees, they have rarely been used in deep RL. Recent work introduced the generalized Projected Bellman Error ($\overline{\text{PBE}}$), enabling GTD methods to work efficiently with nonlinear function approximation. However, this work is limited to one-step methods, which are slow at credit assignment and require a large number of samples. In this paper, we extend the generalized $\overline{\text{PBE}}$ objective to support multistep credit assignment based on the $\lambda$-return and derive three gradient-based methods that optimize this new objective. We provide both a forward-view formulation compatible with experience replay and a backward-view formulation compatible with streaming algorithms. Finally, we evaluate the proposed algorithms and show that they outperform both PPO and StreamQ in MuJoCo and MinAtar environments, respectively. Code available at https://github.com/esraaelelimy/gtd\_algos
Authors: Nodens F. Koren, Samuel Lanthaler
Abstract: We propose the State Space Neural Operator (SS-NO), a compact architecture for learning solution operators of time-dependent partial differential equations (PDEs). Our formulation extends structured state space models (SSMs) to joint spatiotemporal modeling, introducing two key mechanisms: adaptive damping, which stabilizes learning by localizing receptive fields, and learnable frequency modulation, which enables data-driven spectral selection. These components provide a unified framework for capturing long-range dependencies with parameter efficiency. Theoretically, we establish connections between SSMs and neural operators, proving a universality theorem for convolutional architectures with full field-of-view. Empirically, SS-NO achieves state-of-the-art performance across diverse PDE benchmarks-including 1D Burgers' and Kuramoto-Sivashinsky equations, and 2D Navier-Stokes and compressible Euler flows-while using significantly fewer parameters than competing approaches. A factorized variant of SS-NO further demonstrates scalable performance on challenging 2D problems. Our results highlight the effectiveness of damping and frequency learning in operator modeling, while showing that lightweight factorization provides a complementary path toward efficient large-scale PDE learning.
Authors: Bhavesh Neekhra, Debayan Gupta, Partha Pratim Chakrabarti
Abstract: Feature selection (FS) is assumed to improve predictive performance and identify meaningful features in high-dimensional datasets. Surprisingly, small random subsets of features (0.02-1%) match or outperform the predictive performance of both full feature sets and FS across 28 out of 30 diverse datasets (microarray, bulk and single-cell RNA-Seq, mass spectrometry, imaging, etc.). In short, any arbitrary set of features is as good as any other (with surprisingly low variance in results) - so how can a particular set of selected features be "important" if they perform no better than an arbitrary set? These results challenge the assumption that computationally selected features reliably capture meaningful signals, emphasizing the importance of rigorous validation before interpreting selected features as actionable, particularly in computational genomics.
Authors: Ondrej Bajgar, Dewi S. W. Gould, Jonathon Liu, Alessandro Abate, Konstantinos Gatsis, Michael A. Osborne
Abstract: As AI systems become increasingly autonomous, reliably aligning their decision-making with human preferences is essential. Inverse reinforcement learning (IRL) offers a promising approach to infer preferences from demonstrations. These preferences can then be used to produce an apprentice policy that performs well on the demonstrated task. However, in domains like autonomous driving or robotics, where errors can have serious consequences, we need not just good average performance but reliable policies with formal guarantees -- yet obtaining sufficient human demonstrations for reliability guarantees can be costly. Active IRL addresses this challenge by strategically selecting the most informative scenarios for human demonstration. We introduce PAC-EIG, an information-theoretic acquisition function that directly targets probably-approximately-correct (PAC) guarantees for the learned policy -- providing the first such theoretical guarantee for active IRL with noisy expert demonstrations. Our method maximises information gain about the regret of the apprentice policy, efficiently identifying states requiring further demonstration. We also present Reward-EIG as an alternative when learning the reward itself is the primary objective. Focusing on finite state-action spaces, we prove convergence bounds, illustrate failure modes of prior heuristic methods, and demonstrate our method's advantages experimentally.
Authors: Enyu Zhou, Kai Sheng, Hao Chen, Xin He
Abstract: Speculative decoding (SD), where a draft model provides multiple candidate tokens for the target model to verify in parallel, has demonstrated significant potential for accelerating LLM inference. Yet, existing SD approaches adhere to a strict draft-then-verify paradigm, enforcing a sequential process that hampers performance and constrains the draft model's capacity. Moreover, rejecting a token in the candidate sequence invalidates all subsequent tokens, leading to wasted computation during drafting. To overcome these limitations, we propose a cache-assisted parallel speculative decoding framework called CARD, which employs a novel query-and-correct paradigm. Our approach decouples drafting from verification: the draft model populates a shared cache with candidate tokens, while the target model concurrently refines the draft's trajectory. This enables inference at near-draft-speed, effectively leveraging the draft model's efficiency without additional fine-tuning. Experimental results show that CARD significantly outperforms existing state-of-the-art methods, achieving up to a 4.83x acceleration over vanilla autoregressive decoding, with no fine-tuning required for either models.
Authors: Wenfeng Feng, Penghong Zhao, Guochao Jiang, Chuzhan Hao, Yuewei Zhang, Guohua Liu, Hao Wang
Abstract: Critic-free reinforcement learning methods, particularly group policies, have attracted considerable attention for their efficiency in complex tasks. However, these methods rely heavily on multiple sampling and comparisons within the policy to estimate advantage, which may cause the policy to fall into local optimum and increase computational cost. To address these issues, we propose PVPO, an efficient reinforcement learning method enhanced by an advantage reference anchor and data pre-sampling. Specifically, we use the reference model to rollout in advance and employ the calculated reward score as a reference anchor. Our approach effectively corrects the cumulative bias introduced by intra-group comparisons and significantly reduces reliance on the number of rollouts during training. Meanwhile, the reference model can assess sample difficulty during data pre-sampling, enabling effective selection of high-gain data to improve training efficiency. Moreover, PVPO is orthogonal to other advanced critic-free RL algorithms, making it compatible with and complementary to these methods. Experiments conducted on nine datasets across two domains demonstrate that PVPO achieves State-Of-The-Art (SOTA) performance. Our approach not only demonstrates robust generalization across multiple tasks, but also exhibits scalable performance across models of varying scales.
Authors: Dmitry Akulov, Mohamed Sana, Antonio De Domenico, Tareq Si Salem, Nicola Piovesan, Fadhel Ayed
Abstract: Large language models (LLMs) rely on key-value (KV) caches for efficient autoregressive decoding; however, cache size grows linearly with context length and model depth, becoming a major bottleneck in long-context inference. Prior KV cache compression methods either enforce rigid heuristics, disrupt tensor layouts with per-attention-head variability, or require specialized compute kernels. We propose a simple, yet effective, KV cache compression framework based on attention-guided, layer-adaptive composite tokens. Our method aggregates attention scores to estimate token importance, selects head-specific tokens independently, and aligns them into composite tokens that respect the uniform cache structure required by existing inference engines. A global allocation mechanism further adapts retention budgets across layers, assigning more capacity to layers with informative tokens. This approach achieves significant memory reduction while preserving accuracy, consistently outperforming prior structured and semi-structured methods. Crucially, our approach remains fully compatible with standard inference pipelines, offering a practical and scalable solution for efficient long-context LLM deployment.
Authors: Georgia Channing, Avijit Ghosh
Abstract: Artificial intelligence promises to accelerate scientific discovery, yet its benefits remain unevenly distributed. While technical obstacles such as scarce data, fragmented standards, and unequal access to computation are significant, we argue that the primary barriers are social and institutional. Narratives that defer progress to speculative "AI scientists," the undervaluing of data and infrastructure contributions, misaligned incentives, and gaps between domain experts and machine learning researchers all constrain impact. We highlight four interconnected challenges: community dysfunction, research priorities misaligned with upstream needs, data fragmentation, and infrastructure inequities. We argue that their roots lie in cultural and organizational practices. Addressing them requires not only technical innovation but also intentional community-building, cross-disciplinary education, shared benchmarks, and accessible infrastructure. We call for reframing AI for science as a collective social project, where sustainable collaboration and equitable participation are treated as prerequisites for technical progress.
Authors: Ziheng Chen, Xiao-Jun Wu, Bernhard Sch\"olkopf, Nicu Sebe
Abstract: Normalization layers are crucial for deep learning, but their Euclidean formulations are inadequate for data on manifolds. On the other hand, many Riemannian manifolds in machine learning admit gyro-structures, enabling principled extensions of Euclidean neural networks to non-Euclidean domains. Inspired by this, we introduce GyroBN, a principled Riemannian batch normalization framework for gyrogroups. We establish two necessary conditions, namely \emph{pseudo-reduction} and \emph{gyroisometric gyrations}, that guarantee GyroBN with theoretical control over sample statistics, and show that these conditions hold for all known gyrogroups in machine learning. Our framework also incorporates several existing Riemannian normalization methods as special cases. We further instantiate GyroBN on seven representative geometries, including the Grassmannian, five constant curvature spaces, and the correlation manifold, and derive novel gyro and Riemannian structures to enable these instantiations. Experiments across these geometries demonstrate the effectiveness of GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.
Authors: Xunkai Li, Daohan Su, Sicheng Liu, Ru Zhang, Zhenjun Li, Bing Zhou, Rong-Hua Li, Guoren Wang
Abstract: Inspired by the success of LLMs, GFMs are designed to learn the optimal embedding functions from multi-domain text-attributed graphs for the downstream cross-task generalization capability. Among the diverse architectures, graph VQ-MAE stands out among the increasingly diverse landscape of GFM. This is attributed to its ability to jointly encode topology and textual attributes from multiple domains into discrete embedding spaces with clear semantic boundaries. Despite its potential, domain generalization conflicts cause imperceptible pitfalls. In this paper, we instantiate two of them, and they are just like two sides of the same GFM optimization coin - Side 1 Model Degradation: The encoder and codebook fail to capture the diversity of inputs; Side 2 Representation Collapse: The hidden embedding and codebook vector fail to preserve semantic separability due to constraints from narrow representation subspaces. These two pitfalls (sides) collectively impair the decoder and generate the low-quality reconstructed supervision, causing the GFM optimization dilemma during pre-training (coin). Through empirical investigation, we attribute the above challenges to Information Bottleneck and Regularization Deficit. To address them, we propose MoT - (1) Information Tinker for Two Pitfalls, which utilizes an edge-wise semantic fusion strategy and a mixture-of-codebooks with domain-aware routing to improve information capacity. (2) Regularization Tinker for Optimization Coin, which utilizes two additional regularizations to further improve gradient supervision in our proposed Information Tinker. Notably, as a flexible architecture, MoT adheres to the scaling laws of GFM, offering a controllable model scale. Compared to SOTA baselines, experiments on 22 datasets across 6 domains demonstrate that MoT achieves significant improvements in supervised, few-shot, and zero-shot scenarios.
Authors: Hong Liu, Kerui Cen, Yanxing Chen, Zige Liu, Dong Chen, Zifeng Yang, Chitin Hon
Abstract: Timely and robust influenza incidence forecasting is critical for public health decision-making. This paper presents MAESTRO (Multi-modal Adaptive Estimation for Temporal Respiratory Disease Outbreak), a novel, unified framework that synergistically integrates advanced spectro-temporal modeling with multi-modal data fusion, including surveillance, web search trends, and meteorological data. By adaptively weighting heterogeneous data sources and decomposing complex time series patterns, the model achieves robust and accurate forecasts. Evaluated on over 11 years of Hong Kong influenza data (excluding the COVID-19 period), MAESTRO demonstrates state-of-the-art performance, achieving a superior model fit with an R-square of 0.956. Extensive ablations confirm the significant contributions of its multi-modal and spectro-temporal components. The modular and reproducible pipeline is made publicly available to facilitate deployment and extension to other regions and pathogens, presenting a powerful tool for epidemiological forecasting.
Authors: Mujie Liu, Chenze Wang, Liping Chen, Nguyen Linh Dan Le, Niharika Tewari, Ting Dang, Jiangang Ma, Feng Xia
Abstract: The limited availability of labeled brain network data makes it challenging to achieve accurate and interpretable psychiatric diagnoses. While self-supervised learning (SSL) offers a promising solution, existing methods often rely on augmentation strategies that can disrupt crucial structural semantics in brain graphs. To address this, we propose SAM-BG, a two-stage framework for learning brain graph representations with structural semantic preservation. In the pre-training stage, an edge masker is trained on a small labeled subset to capture key structural semantics. In the SSL stage, the extracted structural priors guide a structure-aware augmentation process, enabling the model to learn more semantically meaningful and robust representations. Experiments on two real-world psychiatric datasets demonstrate that SAM-BG outperforms state-of-the-art methods, particularly in small-labeled data settings, and uncovers clinically relevant connectivity patterns that enhance interpretability. Our code is available at https://github.com/mjliu99/SAM-BG.
Authors: Qiyue Li, Yingxin Liu, Hang Qi, Jieping Luo, Zhizhang Liu, Jingjin Wu
Abstract: We consider the client selection problem in wireless Federated Learning (FL), with the objective of reducing the total required time to achieve a certain level of learning accuracy. Since the server cannot observe the clients' dynamic states that can change their computation and communication efficiency, we formulate client selection as a restless multi-armed bandit problem. We propose a scalable and efficient approach called the Whittle Index Learning in Federated Q-learning (WILF-Q), which uses Q-learning to adaptively learn and update an approximated Whittle index associated with each client, and then selects the clients with the highest indices. Compared to existing approaches, WILF-Q does not require explicit knowledge of client state transitions or data distributions, making it well-suited for deployment in practical FL settings. Experiment results demonstrate that WILF-Q significantly outperforms existing baseline policies in terms of learning efficiency, providing a robust and efficient approach to client selection in wireless FL.
Authors: Ziyuan Chen, Zhenghui Zhao, Zhangye Han, Miancan Liu, Xianhang Ye, Yiqing Li, Hongbo Min, Jinkui Ren, Xiantao Zhang, Guitao Cao
Abstract: With the rapid advancement of large language models and vision-language models, employing large models as Web Agents has become essential for automated web interaction. However, training Web Agents with reinforcement learning faces critical challenges including credit assignment misallocation, prohibitively high annotation costs, and reward sparsity. To address these issues, we propose Tree-Guided Preference Optimization (TGPO), an offline reinforcement learning framework that proposes a tree-structured trajectory representation merging semantically identical states across trajectories to eliminate label conflicts. Our framework incorporates a Process Reward Model that automatically generates fine-grained rewards through subgoal progress, redundancy detection, and action verification. Additionally, a dynamic weighting mechanism prioritizes high-impact decision points during training. Experiments on Online-Mind2Web and our self-constructed C-WebShop datasets demonstrate that TGPO significantly outperforms existing methods, achieving higher success rates with fewer redundant steps.
Authors: Feihu Huang, Yuning Luo, Songcan Chen
Abstract: Large models recently are widely applied in artificial intelligence, so efficient training of large models has received widespread attention. More recently, a useful Muon optimizer is specifically designed for matrix-structured parameters of large models. Although some works have begun to studying Muon optimizer, the existing Muon and its variants still suffer from high sample complexity or high memory for large models. To fill this gap, we propose a light and fast Muon (LiMuon) optimizer for training large models, which builds on the momentum-based variance reduced technique and randomized Singular Value Decomposition (SVD). Our LiMuon optimizer has a lower memory than the current Muon and its variants. Moreover, we prove that our LiMuon has a lower sample complexity of $O(\epsilon^{-3})$ for finding an $\epsilon$-stationary solution of non-convex stochastic optimization under the smooth condition. Recently, the existing convergence analysis of Muon optimizer mainly relies on the strict Lipschitz smooth assumption, while some artificial intelligence tasks such as training large language models (LLMs) do not satisfy this condition. We also proved that our LiMuon optimizer has a sample complexity of $O(\epsilon^{-3})$ under the generalized smooth condition. Numerical experimental results on training DistilGPT2 and ViT models verify efficiency of our LiMuon optimizer.
Authors: Qianyang Li, Xingjun Zhang, Shaoxun Wang, Jia Wei
Abstract: Long-term time series forecasting (LTSF) is hampered by the challenge of modeling complex dependencies that span multiple temporal scales and frequency resolutions. Existing methods, including Transformer and MLP-based models, often struggle to capture these intertwined characteristics in a unified and structured manner. We propose the Dual Pyramid Attention Network (DPANet), a novel architecture that explicitly decouples and concurrently models temporal multi-scale dynamics and spectral multi-resolution periodicities. DPANet constructs two parallel pyramids: a Temporal Pyramid built on progressive downsampling, and a Frequency Pyramid built on band-pass filtering. The core of our model is the Cross-Pyramid Fusion Block, which facilitates deep, interactive information exchange between corresponding pyramid levels via cross-attention. This fusion proceeds in a coarse-to-fine hierarchy, enabling global context to guide local representation learning. Extensive experiments on public benchmarks show that DPANet achieves state-of-the-art performance, significantly outperforming prior models. Code is available at https://github.com/hit636/DPANet.
Authors: Shiwan Zhao, Xuyang Zhao, Jiaming Zhou, Aobo Kong, Qicheng Li, Yong Qin
Abstract: Supervised fine-tuning (SFT) of large language models can be viewed as an off-policy learning problem, where expert demonstrations come from a fixed behavior policy while training aims to optimize a target policy. Importance sampling is the standard tool for correcting this distribution mismatch, but large policy gaps lead to skewed weights, high variance, and unstable optimization. Existing methods mitigate this issue with KL penalties or clipping, which passively restrict updates rather than actively reducing the gap. We propose a simple yet effective data rewriting framework that proactively shrinks the policy gap before training. For each problem, correct model-generated solutions are kept as on-policy data, while incorrect ones are rewritten through guided re-solving, falling back to expert demonstrations only when needed. This aligns the training distribution with the target policy, reducing variance and improving stability. To handle residual mismatch after rewriting, we additionally apply importance sampling during training, forming a two-stage approach that combines data-level alignment with lightweight optimization-level correction. Experiments on five mathematical reasoning benchmarks show consistent and significant gains over both vanilla SFT and the state-of-the-art Dynamic Fine-Tuning (DFT) approach. Data and code will be released at https://github.com/NKU-HLT/Off-Policy-SFT.
Authors: Liangyu Zhao, Saeed Maleki, Yuanhong Wang, Zezhou Wang, Ziyue Yang, Hossein Pourreza, Arvind Krishnamurthy
Abstract: As modern DNN models grow ever larger, collective communications between the accelerators (allreduce, etc.) emerge as a significant performance bottleneck. Designing efficient communication schedules is challenging, given today's heterogeneous and diverse network fabrics. We present ForestColl, a tool that generates throughput-optimal schedules for any network topology. ForestColl constructs broadcast/aggregation spanning trees as the communication schedule, achieving theoretical optimality. Its schedule generation runs in polynomial time and is highly scalable. ForestColl supports any network fabric, including both switching fabrics and direct accelerator connections. We evaluated ForestColl on AMD MI250 and NVIDIA DGX A100 & H100 clusters. ForestColl showed significant improvements over the vendors' own optimized communication libraries across various settings and in LLM training. ForestColl also outperformed other state-of-the-art schedule generation techniques with both more efficient generated schedules and substantially faster generation speed.
Authors: Yining Wang, Junjie Sun, Chenyue Wang, Mi Zhang, Min Yang
Abstract: Recent studies have noted an intriguing phenomenon termed Neural Collapse, that is, when the neural networks establish the right correlation between feature spaces and the training targets, their last-layer features, together with the classifier weights, will collapse into a stable and symmetric structure. In this paper, we extend the investigation of Neural Collapse to the biased datasets with imbalanced attributes. We observe that models will easily fall into the pitfall of shortcut learning and form a biased, non-collapsed feature space at the early period of training, which is hard to reverse and limits the generalization capability. To tackle the root cause of biased classification, we follow the recent inspiration of prime training, and propose an avoid-shortcut learning framework without additional training complexity. With well-designed shortcut primes based on Neural Collapse structure, the models are encouraged to skip the pursuit of simple shortcuts and naturally capture the intrinsic correlations. Experimental results demonstrate that our method induces better convergence properties during training, and achieves state-of-the-art generalization performance on both synthetic and real-world biased datasets. Our code is available at https://github.com/RachelWolowitz/Navigate-beyond-Shortcuts/tree/main.
URLs: https://github.com/RachelWolowitz/Navigate-beyond-Shortcuts/tree/main.
Authors: Hai-Vy Nguyen, Fabrice Gamboa, Sixin Zhang, Reda Chhaibi, Serge Gratton, Thierry Giaccone
Abstract: Robustness of deep neural networks to input noise remains a critical challenge, as naive noise injection often degrades accuracy on clean (uncorrupted) data. We propose a novel training framework that addresses this trade-off through two complementary objectives. First, we introduce a loss function applied at the penultimate layer that explicitly enforces intra-class compactness and increases the margin to analytically defined decision boundaries. This enhances feature discriminativeness and class separability for clean data. Second, we propose a class-wise feature alignment mechanism that brings noisy data clusters closer to their clean counterparts. Furthermore, we provide a theoretical analysis demonstrating that improving feature stability under additive Gaussian noise implicitly reduces the curvature of the softmax loss landscape in input space, as measured by Hessian eigenvalues.This thus naturally enhances robustness without explicit curvature penalties. Conversely, we also theoretically show that lower curvatures lead to more robust models. We validate the effectiveness of our method on standard benchmarks and our custom dataset. Our approach significantly reinforces model robustness to various perturbations while maintaining high accuracy on clean data, advancing the understanding and practice of noise-robust deep learning.
Authors: Ismail Rasim Ulgen, John H. L. Hansen, Carlos Busso, Berrak Sisman
Abstract: Modeling the rich prosodic variations inherent in human speech is essential for generating natural-sounding speech. While speaker embeddings are commonly used as conditioning inputs in personalized speech generation, they are typically optimized for speaker recognition, which encourages the loss of intra-speaker variation. This strategy makes them suboptimal for speech generation in terms of modeling the rich variations at the output speech distribution. In this work, we propose a novel speaker embedding network that employs multiple sub-centers per speaker class during training, instead of a single center as in conventional approaches. This sub-center modeling allows the embedding to capture a broader range of speaker-specific variations while maintaining speaker classification performance. We demonstrate the effectiveness of the proposed embeddings on a voice conversion task, showing improved naturalness and prosodic expressiveness in the synthesized speech.
Authors: Benedikt W. Hosp
Abstract: Accurate fixation depth estimation is essential for applications in extended reality (XR), robotics, and human-computer interaction. However, current methods heavily depend on user-specific calibration, which limits their scalability and usability. We introduce FOVAL, a robust calibration-free approach that combines spatiotemporal sequence modelling via Long Short-Term Memory (LSTM) networks with subject-invariant feature engineering and normalisation. Compared to Transformers, Temporal Convolutional Networks (TCNs), and CNNs, FOVAL achieves superior performance, particularly in scenarios with limited and noisy gaze data. Evaluations across three benchmark datasets using Leave-One-Out Cross-Validation (LOOCV) and cross-dataset validation show a mean absolute error (MAE) of 9.1 cm and strong generalisation without calibration. We further analyse inter-subject variability and domain shifts, providing insight into model robustness and adaptation. FOVAL's scalability and accuracy make it highly suitable for real-world deployment.
Authors: Yuxuan Du, Min-Hsiu Hsieh, Dacheng Tao
Abstract: The vast and complicated large-qubit state space forbids us to comprehensively capture the dynamics of modern quantum computers via classical simulations or quantum tomography. Recent progress in quantum learning theory prompts a crucial question: can linear properties of a large-qubit circuit with d tunable RZ gates and G-d Clifford gates be efficiently learned from measurement data generated by varying classical inputs? In this work, we prove that the sample complexity scaling linearly in $d$ is required to achieve a small prediction error, while the corresponding computational complexity may scale exponentially in d. To address this challenge, we propose a kernel-based method leveraging classical shadows and truncated trigonometric expansions, enabling a controllable trade-off between prediction accuracy and computational overhead. Our results advance two crucial realms in quantum computation: the exploration of quantum algorithms with practical utilities and learning-based quantum system certification. We conduct numerical simulations to validate our proposals across diverse scenarios, encompassing quantum information processing protocols, Hamiltonian simulation, and variational quantum algorithms up to 60 qubits.
Authors: Ajsal Shereef Palattuparambil, Thommen George Karimpanal, Santu Rana
Abstract: Deep reinforcement learning (RL) policies, although optimal in terms of task rewards, may not align with the personal preferences of human users. To ensure this alignment, a naive solution would be to retrain the agent using a reward function that encodes the user's specific preferences. However, such a reward function is typically not readily available, and as such, retraining the agent from scratch can be prohibitively expensive. We propose a more practical approach - to adapt the already trained policy to user-specific needs with the help of human feedback. To this end, we infer the user's intent through trajectory-level feedback and combine it with the trained task policy via a theoretically grounded dynamic policy fusion approach. As our approach collects human feedback on the very same trajectories used to learn the task policy, it does not require any additional interactions with the environment, making it a zero-shot approach. We empirically demonstrate in a number of environments that our proposed dynamic policy fusion approach consistently achieves the intended task while simultaneously adhering to user-specific needs.
Authors: Josip Juki\'c, Jan \v{S}najder
Abstract: In-context learning (ICL) enables large language models to perform few-shot learning by conditioning on labeled examples in the prompt. Despite its flexibility, ICL suffers from instability -- especially as prompt length increases with more demonstrations. To address this, we treat ICL as a source of weak supervision and propose a parameter-efficient method that disentangles demonstration-induced latent shifts from those of the query. An ICL-based teacher generates pseudo-labels on unlabeled queries, while a student predicts them using only the query input, updating a lightweight adapter. This captures demonstration effects in a compact, reusable form, enabling efficient inference while remaining composable with new demonstrations. Although trained on noisy teacher outputs, the student often outperforms its teacher through pseudo-label correction and coverage expansion, consistent with the weak-to-strong generalization effect. Empirically, our method improves generalization, stability, and efficiency across both in-domain and out-of-domain tasks, surpassing standard ICL and prior disentanglement methods.
Authors: Erik Arakelyan, Pasquale Minervini, Pat Verga, Patrick Lewis, Isabelle Augenstein
Abstract: Modern Question Answering (QA) and Reasoning approaches based on Large Language Models (LLMs) commonly use prompting techniques, such as Chain-of-Thought (CoT), assuming the resulting generation will have a more granular exploration and reasoning over the question space and scope. However, such methods struggle with generating outputs that are faithful to the intermediate chain of reasoning produced by the model. On the other end of the spectrum, neuro-symbolic methods such as Faithful CoT (F-CoT) propose to combine LLMs with external symbolic solvers. While such approaches boast a high degree of faithfulness, they usually require a model trained for code generation and struggle with tasks that are ambiguous or hard to formalise strictly. We introduce $\textbf{F}$aithful $\textbf{L}$ogic-$\textbf{A}$ided $\textbf{R}$easoning and $\textbf{E}$xploration ($\textbf{FLARE}$), a novel interpretable approach for traversing the problem space using task decompositions. We use the LLM to plan a solution, soft-formalise the query into facts and predicates using a logic programming code and simulate that code execution using an exhaustive multi-hop search over the defined space. Our method allows us to compute the faithfulness of the reasoning process w.r.t. the generated code and analyse the steps of the multi-hop search without relying on external solvers. Our methods achieve SOTA results on $\mathbf{7}$ out of $\mathbf{9}$ diverse reasoning benchmarks. We also show that model faithfulness positively correlates with overall performance and further demonstrate that $\textbf{FLARE}$ allows pinpointing the decisive factors sufficient for and leading to the correct answer with optimal reasoning during the multi-hop search.
Authors: Shreya Saha, Ishaan Chadha, Meenakshi Khosla
Abstract: Over the past decade, predictive modeling of neural responses in the primate visual system has advanced significantly, largely driven by various DNN approaches. These include models optimized directly for visual recognition, cross-modal alignment through contrastive objectives, neural response prediction from scratch, and large language model embeddings.Likewise, different readout mechanisms, ranging from fully linear to spatial-feature factorized methods have been explored for mapping network activations to neural responses. Despite the diversity of these approaches, it remains unclear which method performs best across different visual regions. In this study, we systematically compare these approaches for modeling the human visual system and investigate alternative strategies to improve response predictions. Our findings reveal that for early to mid-level visual areas, response-optimized models with visual inputs offer superior prediction accuracy, while for higher visual regions, embeddings from LLMs based on detailed contextual descriptions of images and task-optimized models pretrained on large vision datasets provide the best fit. Through comparative analysis of these modeling approaches, we identified three distinct regions in the visual cortex: one sensitive primarily to perceptual features of the input that are not captured by linguistic descriptions, another attuned to fine-grained visual details representing semantic information, and a third responsive to abstract, global meanings aligned with linguistic content. We also highlight the critical role of readout mechanisms, proposing a novel scheme that modulates receptive fields and feature maps based on semantic content, resulting in an accuracy boost of 3-23% over existing SOTAs for all models and brain regions. Together, these findings offer key insights into building more precise models of the visual system.
Authors: Naoki Murata, Chieh-Hsin Lai, Yuhta Takida, Toshimitsu Uesaka, Bac Nguyen, Stefano Ermon, Yuki Mitsufuji
Abstract: Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly in modalities suited for discrete compressed representations, such as image and motion generation. However, their discrete and non-differentiable nature has limited their application to inverse problems formulated in continuous spaces. This paper presents a novel method for addressing linear inverse problems by leveraging generative models based on discrete diffusion as priors. We overcome these limitations by approximating the true posterior distribution with a variational distribution constructed from categorical distributions and continuous relaxation techniques. Furthermore, we employ a star-shaped noise process to mitigate the drawbacks of traditional discrete diffusion models with absorbing states, demonstrating that our method performs comparably to continuous diffusion techniques with a lower GPU memory consumption. Our code is available at https://github.com/sony/g2d2.
Authors: Quentin Houbre, Roel Pieters
Abstract: The autonomous learning of new goals in robotics remains a complex issue to address. Here, we propose a model where curiosity influence learning flexibility. To do so, this paper proposes to root curiosity and attention together by taking inspiration from the Locus Coeruleus-Norepinephrine system along with various cognitive processes such as cognitive persistence and visual habituation. We apply our approach by experimenting with a simulated robotic arm on a set of objects with varying difficulty. The robot first discovers new goals via bottom-up attention through motor babbling with an inhibition of return mechanism, then engage to the learning of goals due to neural activity arising within the curiosity mechanism. The architecture is modelled with dynamic neural fields and the learning of goals such as pushing the objects in diverse directions is supported by the use of forward and inverse models implemented by multi-layer perceptrons. The adoption of dynamic neural fields to model curiosity, habituation and persistence allows the robot to demonstrate various learning trajectories depending on the object. In addition, the approach exhibits interesting properties regarding the learning of similar goals as well as the continuous switch between exploration and exploitation.
Authors: Taekyung Ki, Dongchan Min, Gyeongsu Chae
Abstract: With the rapid advancement of diffusion-based generative models, portrait image animation has achieved remarkable results. However, it still faces challenges in temporally consistent video generation and fast sampling due to its iterative sampling nature. This paper presents FLOAT, an audio-driven talking portrait video generation method based on flow matching generative model. Instead of a pixel-based latent space, we take advantage of a learned orthogonal motion latent space, enabling efficient generation and editing of temporally consistent motion. To achieve this, we introduce a transformer-based vector field predictor with an effective frame-wise conditioning mechanism. Additionally, our method supports speech-driven emotion enhancement, enabling a natural incorporation of expressive motions. Extensive experiments demonstrate that our method outperforms state-of-the-art audio-driven talking portrait methods in terms of visual quality, motion fidelity, and efficiency.
Authors: G\'erard Ben Arous, C\'edric Gerbelot, Vanessa Piccolo
Abstract: We study the dynamics of gradient flow in high dimensions for the multi-spiked tensor problem, where the goal is to estimate $r$ unknown signal vectors (spikes) from noisy Gaussian tensor observations. Specifically, we analyze the maximum likelihood estimation procedure, which involves optimizing a highly nonconvex random function. We determine the sample complexity required for gradient flow to efficiently recover all spikes, without imposing any assumptions on the separation of the signal-to-noise ratios (SNRs). More precisely, our results provide the sample complexity required to guarantee recovery of the spikes up to a permutation. Our work builds on our companion paper [Ben Arous, Gerbelot, Piccolo 2024], which studies Langevin dynamics and determines the sample complexity and separation conditions for the SNRs necessary for ensuring exact recovery of the spikes (where the recovered permutation matches the identity). During the recovery process, the correlations between the estimators and the hidden vectors increase in a sequential manner. The order in which these correlations become significant depends on their initial values and the corresponding SNRs, which ultimately determines the permutation of the recovered spikes.
Authors: Juan Calles, Jacky H. T. Yip, Gabriella Contardo, Jorge Nore\~na, Adam Rouhiainen, Gary Shiu
Abstract: Building upon [2308.02636], we investigate the constraining power of persistent homology on cosmological parameters and primordial non-Gaussianity in a likelihood-free inference pipeline utilizing machine learning. We evaluate the ability of Persistence Images (PIs) to infer parameters, comparing them to the combined Power Spectrum and Bispectrum (PS/BS). We also compare two classes of models: neural-based and tree-based. PIs consistently lead to better predictions compared to the combined PS/BS for parameters that can be constrained, i.e., for $\{\Omega_{\rm m}, \sigma_8, n_{\rm s}, f_{\rm NL}^{\rm loc}\}$. PIs perform particularly well for $f_{\rm NL}^{\rm loc}$, highlighting the potential of persistent homology for constraining primordial non-Gaussianity. Our results indicate that combining PIs with PS/BS provides only marginal gains, indicating that the PS/BS contains little additional or complementary information to the PIs. Finally, we provide a visualization of the most important topological features for $f_{\rm NL}^{\rm loc}$ and for $\Omega_{\rm m}$. This reveals that clusters and voids (0-cycles and 2-cycles) are most informative for $\Omega_{\rm m}$, while $f_{\rm NL}^{\rm loc}$ is additionally informed by filaments (1-cycles).
Authors: Shuhei Tomoshige, Hayato Muraki, Kenichi Oishi, Hitoshi Iyatomi
Abstract: Current methods for searching brain MR images rely on text-based approaches, highlighting a significant need for content-based image retrieval (CBIR) systems. Directly applying 3D brain MR images to machine learning models offers the benefit of effectively learning the brain's structure; however, building the generalized model necessitates a large amount of training data. While models that consider depth direction and utilize continuous 2D slices have demonstrated success in segmentation and classification tasks involving 3D data, concerns remain. Specifically, using general 2D slices may lead to the oversight of pathological features and discontinuities in depth direction information. Furthermore, to the best of the authors' knowledge, there have been no attempts to develop a practical CBIR system that preserves the entire brain's structural information. In this study, we propose an interpretable CBIR method for brain MR images, named iCBIR-Sli (Interpretable CBIR with 2D Slice Embedding), which, for the first time globally, utilizes a series of 2D slices. iCBIR-Sli addresses the challenges associated with using 2D slices by effectively aggregating slice information, thereby achieving low-dimensional representations with high completeness, usability, robustness, and interoperability, which are qualities essential for effective CBIR. In retrieval evaluation experiments utilizing five publicly available brain MR datasets (ADNI2/3, OASIS3/4, AIBL) for Alzheimer's disease and cognitively normal, iCBIR-Sli demonstrated top-1 retrieval performance (macro F1 = 0.859), comparable to existing deep learning models explicitly designed for classification, without the need for an external classifier. Additionally, the method provided high interpretability by clearly identifying the brain regions indicative of the searched-for disease.
Authors: Joonho Ko, Jinheon Baek, Sung Ju Hwang
Abstract: Large language models (LLMs) have shown remarkable performance across a wide range of natural language tasks. However, a critical challenge remains in that they sometimes generate factually incorrect answers. To address this, while many previous work has focused on identifying errors in their generation and further refining them, they are slow in deployment since they are designed to verify the response from LLMs only after their entire generation (from the first to last tokens) is done. Further, we observe that once LLMs generate incorrect tokens early on, there is a higher likelihood that subsequent tokens will also be factually incorrect. To this end, in this work, we propose Streaming-VR (Streaming Verification and Refinement), a novel approach designed to enhance the efficiency of verification and refinement of LLM outputs. Specifically, the proposed Streaming-VR enables on-the-fly verification and correction of tokens as they are being generated, similar to a streaming process, ensuring that each subset of tokens is checked and refined in real-time by another LLM as the LLM constructs its response. Through comprehensive evaluations on multiple datasets, we demonstrate that our approach not only enhances the factual accuracy of LLMs, but also offers a more efficient solution compared to prior refinement methods.
Authors: Marie Kempkes, Aroosa Ijaz, Elies Gil-Fuster, Carlos Bravo-Prieto, Jakob Spiegelberg, Evert van Nieuwenburg, Vedran Dunjko
Abstract: The double descent phenomenon challenges traditional statistical learning theory by revealing scenarios where larger models do not necessarily lead to reduced performance on unseen data. While this counterintuitive behavior has been observed in a variety of classical machine learning models, particularly modern neural network architectures, it remains elusive within the context of quantum machine learning. In this work, we analytically demonstrate that linear regression models in quantum feature spaces can exhibit double descent behavior by drawing on insights from classical linear regression and random matrix theory. Additionally, our numerical experiments on quantum kernel methods across different real-world datasets and system sizes further confirm the existence of a test error peak, a characteristic feature of double descent. Our findings provide evidence that quantum models can operate in the modern, overparameterized regime without experiencing overfitting, potentially opening pathways to improved learning performance beyond traditional statistical learning theory.
Authors: Sukjin Han, Kyungho Lee
Abstract: We study the competitive and welfare effects of copyright in creative industries in the face of cost-reducing technologies such as generative artificial intelligence. Creative products often feature unstructured attributes (e.g., images and text) that are complex and high-dimensional. To address this challenge, we study a stylized design product -- fonts -- using data from the world's largest font marketplace. We construct neural network embeddings to quantify unstructured attributes and measure visual similarity in a manner consistent with human perception. Spatial regression and event-study analyses demonstrate that competition is local in the visual characteristics space. Building on this evidence, we develop a structural model of supply and demand that incorporates embeddings and captures product positioning under copyright-based similarity constraints. Our estimates reveal consumers' heterogeneous design preferences and producers' cost-effective mimicry advantages. Counterfactual analyses show that copyright protection can raise consumer welfare by encouraging product relocation, and that the optimal policy depends on the interaction between copyright and cost-reducing technologies.
Authors: Hao Dong, Moru Liu, Kaiyang Zhou, Eleni Chatzi, Juho Kannala, Cyrill Stachniss, Olga Fink
Abstract: In real-world scenarios, achieving domain adaptation and generalization poses significant challenges, as models must adapt to or generalize across unknown target distributions. Extending these capabilities to unseen multimodal distributions, i.e., multimodal domain adaptation and generalization, is even more challenging due to the distinct characteristics of different modalities. Significant progress has been made over the years, with applications ranging from action recognition to semantic segmentation. Besides, the recent advent of large-scale pre-trained multimodal foundation models, such as CLIP, has inspired works leveraging these models to enhance adaptation and generalization performances or adapting them to downstream tasks. This survey provides the first comprehensive review of recent advances from traditional approaches to foundation models, covering: (1) Multimodal domain adaptation; (2) Multimodal test-time adaptation; (3) Multimodal domain generalization; (4) Domain adaptation and generalization with the help of multimodal foundation models; and (5) Adaptation of multimodal foundation models. For each topic, we formally define the problem and thoroughly review existing methods. Additionally, we analyze relevant datasets and applications, highlighting open challenges and potential future research directions. We maintain an active repository that contains up-to-date literature at https://github.com/donghao51/Awesome-Multimodal-Adaptation.
URLs: https://github.com/donghao51/Awesome-Multimodal-Adaptation.
Authors: Zhangkai Wu, Xuhui Fan, Hongyu Wu, Longbing Cao
Abstract: Pre-trained diffusion models are commonly used to generate clean data (e.g., images) from random noises, effectively forming pairs of noises and corresponding clean images. Distillation on these pre-trained models can be viewed as the process of constructing advanced trajectories within the pair to accelerate sampling. For instance, consistency model distillation develops consistent projection functions to regulate trajectories, although sampling efficiency remains a concern. Rectified flow method enforces straight trajectories to enable faster sampling, yet relies on numerical ODE solvers, which may introduce approximation errors. In this work, we bridge the gap between the consistency model and the rectified flow method by proposing a Straight Consistent Trajectory~(SCoT) model. SCoT enjoys the benefits of both approaches for fast sampling, producing trajectories with consistent and straight properties simultaneously. These dual properties are strategically balanced by targeting two critical objectives: (1) regulating the gradient of SCoT's mapping to a constant, (2) ensuring trajectory consistency. Extensive experimental results demonstrate the effectiveness and efficiency of SCoT.
Authors: Mingsheng Cai, Jiuming Jiang, Wenhao Huang, Che Liu, Rossella Arcucci
Abstract: Cardiovascular diseases are a leading cause of death and disability worldwide. Electrocardiogram (ECG) is critical for diagnosing and monitoring cardiac health, but obtaining large-scale annotated ECG datasets is labor-intensive and time-consuming. Recent ECG Self-Supervised Learning (eSSL) methods mitigate this by learning features without extensive labels but fail to capture fine-grained clinical semantics and require extensive task-specific fine-tuning. To address these challenges, we propose $\textbf{SuPreME}$, a $\textbf{Su}$pervised $\textbf{Pre}$-training framework for $\textbf{M}$ultimodal $\textbf{E}$CG representation learning. SuPreME is pre-trained using structured diagnostic labels derived from ECG report entities through a one-time offline extraction with Large Language Models (LLMs), which help denoise, standardize cardiac concepts, and improve clinical representation learning. By fusing ECG signals with textual cardiac queries instead of fixed labels, SuPreME enables zero-shot classification of unseen conditions without further fine-tuning. We evaluate SuPreME on six downstream datasets covering 106 cardiac conditions, achieving superior zero-shot AUC performance of $77.20\%$, surpassing state-of-the-art eSSLs by $4.98\%$. Results demonstrate SuPreME's effectiveness in leveraging structured, clinically relevant knowledge for high-quality ECG representations.
Authors: Xianyuan Liu, Jiayang Zhang, Shuo Zhou, Thijs L. van der Plas, Avish Vijayaraghavan, Anastasiia Grishina, Mengdie Zhuang, Daniel Schofield, Christopher Tomlinson, Yuhan Wang, Ruizhe Li, Louisa van Zeeland, Sina Tabakhi, Cyndie Demeocq, Xiang Li, Arunav Das, Orlando Timmerman, Thomas Baldwin-McDonald, Jinge Wu, Peizhen Bai, Zahraa Al Sahili, Omnia Alwazzan, Thao N. Do, Mohammod N. I. Suvon, Angeline Wang, Lucia Cipolina-Kun, Luigi A. Moretti, Lucas Farndale, Nitisha Jain, Natalia Efremova, Yan Ge, Marta Varela, Hak-Keung Lam, Oya Celiktutan, Ben R. Evans, Alejandro Coca-Castro, Honghan Wu, Zahraa S. Abdallah, Chen Chen, Valentin Danchev, Nataliya Tkachenko, Lei Lu, Tingting Zhu, Gregory G. Slabaugh, Roger K. Moore, William K. Cheung, Peter H. Charlton, Haiping Lu
Abstract: Multimodal artificial intelligence (AI) integrates diverse types of data via machine learning to improve understanding, prediction, and decision-making across disciplines such as healthcare, science, and engineering. However, most multimodal AI advances focus on models for vision and language data, while their deployability remains a key challenge. We advocate a deployment-centric workflow that incorporates deployment constraints early to reduce the likelihood of undeployable solutions, complementing data-centric and model-centric approaches. We also emphasise deeper integration across multiple levels of multimodality and multidisciplinary collaboration to significantly broaden the research scope beyond vision and language. To facilitate this approach, we identify common multimodal-AI-specific challenges shared across disciplines and examine three real-world use cases: pandemic response, self-driving car design, and climate change adaptation, drawing expertise from healthcare, social science, engineering, science, sustainability, and finance. By fostering multidisciplinary dialogue and open research practices, our community can accelerate deployment-centric development for broad societal impact.
Authors: Michael Somma
Abstract: Cyberattacks on critical infrastructure, particularly water distribution systems, have increased due to rapid digitalization and the integration of IoT devices and industrial control systems (ICS). These cyber-physical systems (CPS) introduce new vulnerabilities, requiring robust and automated intrusion detection systems (IDS) to mitigate potential threats. This study addresses key challenges in anomaly detection by leveraging time correlations in sensor data, integrating physical principles into machine learning models, and optimizing computational efficiency for edge applications. We build upon the concept of temporal differential consistency (TDC) loss to capture the dynamics of the system, ensuring meaningful relationships between dynamic states. Expanding on this foundation, we propose a hybrid autoencoder-based approach, referred to as hybrid TDC-AE, which extends TDC by incorporating both deterministic nodes and conventional statistical nodes. This hybrid structure enables the model to account for non-deterministic processes. Our approach achieves state-of-the-art classification performance while improving time to detect anomalies by 3%, outperforming the BATADAL challenge leader without requiring domain-specific knowledge, making it broadly applicable. Additionally, it maintains the computational efficiency of conventional autoencoders while reducing the number of fully connected layers, resulting in a more sustainable and efficient solution. The method demonstrates how leveraging physics-inspired consistency principles enhances anomaly detection and strengthens the resilience of cyber-physical systems.
Authors: Mirza Samad Ahmed Baig, Syeda Anshrah Gillani, Abdul Akbar Khan, Shahid Munir Shah, Muhammad Omer Khan
Abstract: Transformer-based architectures achieve state-of-the-art performance across a wide range of tasks in natural language processing, computer vision, and speech processing. However, their immense capacity often leads to overfitting, especially when training data is limited or noisy. In this research, a unified family of stochastic regularization techniques has been proposed, i.e. AttentionDrop with its three different variants, which operate directly on the self-attention distributions. Hard Attention Masking randomly zeroes out top-k attention logits per query to encourage diverse context utilization, Blurred Attention Smoothing applies a dynamic Gaussian convolution over attention logits to diffuse overly peaked distributions, and Consistency-Regularized AttentionDrop enforces output stability under multiple independent AttentionDrop perturbations via a KL-based consistency loss. Results achieved in the study demonstrate that AttentionDrop consistently improves accuracy, calibration, and adversarial robustness over standard Dropout, DropConnect, and R-Drop baselines
Authors: Robert Gruhlke, Matei Hanu, Claudia Schillings, Philipp Wacker
Abstract: We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.
Authors: Qinghui Liu, Jon E. Nesvold, Hanna Raaum, Elakkyen Murugesu, Martin R{\o}vang, Bradley J Maclntosh, Atle Bj{\o}rnerud, Karoline Skogen
Abstract: Background: There are many challenges and opportunities in the clinical deployment of AI tools in radiology. The current study describes a radiology software platform called NeoMedSys that can enable efficient deployment and refinements of AI models. We evaluated the feasibility and effectiveness of running NeoMedSys for three months in real-world clinical settings and focused on improvement performance of an in-house developed AI model (VIOLA-AI) designed for intracranial hemorrhage (ICH) detection. Methods: NeoMedSys integrates tools for deploying, testing, and optimizing AI models with a web-based medical image viewer, annotation system, and hospital-wide radiology information systems. A prospective pragmatic investigation was deployed using clinical cases of patients presenting to the largest Emergency Department in Norway (site-1) with suspected traumatic brain injury (TBI) or patients with suspected stroke (site-2). We assessed ICH classification performance as VIOLA-AI encountered new data and underwent pre-planned model retraining. Performance metrics included sensitivity, specificity, accuracy, and the area under the receiver operating characteristic curve (AUC). Results: NeoMedSys facilitated iterative improvements in the AI model, significantly enhancing its diagnostic accuracy. Automated bleed detection and segmentation were reviewed in near real-time to facilitate re-training VIOLA-AI. The iterative refinement process yielded a marked improvement in classification sensitivity, rising to 90.3% (from 79.2%), and specificity that reached 89.3% (from 80.7%). The bleed detection ROC analysis for the entire sample demonstrated a high area-under-the-curve (AUC) of 0.949 (from 0.873). Model refinement stages were associated with notable gains, highlighting the value of real-time radiologist feedback.
Authors: Ryan Saklad, Aman Chadha, Oleg Pavlov, Raha Moraffah
Abstract: Understanding and inferring causal relationships from texts is a core aspect of human cognition and is essential for advancing large language models (LLMs) towards artificial general intelligence. Existing work evaluating LLM causal reasoning primarily focuses on synthetically generated texts which involve straightforward causal relationships that are explicitly mentioned in the text. This fails to reflect the complexities of real-world tasks. In this paper, we investigate whether LLMs are capable of inferring causal relationships from real-world texts. We develop a benchmark drawn from real-world academic literature which includes diverse texts with respect to length, complexity of relationships (different levels of explicitness, number of nodes, and causal relationships), and domains and sub-domains. To the best of our knowledge, our benchmark is the first-ever real-world dataset for this task. Our experiments on this dataset show that LLMs face significant challenges in inferring causal relationships from real-world text, with the best-performing model achieving an average F1 score of only 0.477. Through systematic analysis across aspects of real-world text (degree of confounding, size of graph, length of text, domain), our benchmark offers targeted insights for further research into advancing LLM causal reasoning.
Authors: Jing Nathan Yan, Emma Harvey, Junxiong Wang, Jeffrey M. Rzeszotarski, Allison Koenecke
Abstract: Recommender systems (RS), which are widely deployed across high-stakes domains, are susceptible to biases that can cause large-scale societal impacts. Researchers have proposed methods to measure and mitigate such biases -- but translating academic theory into practice is inherently challenging. RS practitioners must balance the competing interests of diverse stakeholders, including providers and users, and operate in dynamic environments. Through a semi-structured interview study (N=11), we map the RS practitioner workflow within large technology companies, focusing on how technical teams consider fairness internally and in collaboration with other (legal, data, and fairness) teams. We identify key challenges to incorporating fairness into existing RS workflows: defining fairness in RS contexts, particularly when navigating multi-stakeholder and dynamic fairness considerations. We also identify key organization-wide challenges: making time for fairness work and facilitating cross-team communication. Finally, we offer actionable recommendations for the RS community, including HCI researchers and practitioners.
Authors: Maksim Kolodiazhnyi, Denis Tarasov, Dmitrii Zhemchuzhnikov, Alexander Nikulin, Ilya Zisman, Anna Vorontsova, Anton Konushin, Vladislav Kurenkov, Danila Rukhovich
Abstract: Computer-Aided Design (CAD) plays a central role in engineering and manufacturing, making it possible to create precise and editable 3D models. Using a variety of sensor or user-provided data as inputs for CAD reconstruction can democratize access to design applications. However, existing methods typically focus on a single input modality, such as point clouds, images, or text, which limits their generalizability and robustness. Leveraging recent advances in vision-language models (VLM), we propose a multi-modal CAD reconstruction model that simultaneously processes all three input modalities. Inspired by large language model (LLM) training paradigms, we adopt a two-stage pipeline: supervised fine-tuning (SFT) on large-scale procedurally generated data, followed by reinforcement learning (RL) fine-tuning using online feedback, obtained programatically. Furthermore, we are the first to explore RL fine-tuning of LLMs for CAD tasks demonstrating that online RL algorithms such as Group Relative Preference Optimization (GRPO) outperform offline alternatives. In the DeepCAD benchmark, our SFT model outperforms existing single-modal approaches in all three input modalities simultaneously. More importantly, after RL fine-tuning, cadrille sets new state-of-the-art on three challenging datasets, including a real-world one.
Authors: Howon Ryu, Yuliang Chen, Yacun Wang, Andrea Z. LaCroix, Chongzhi Di, Loki Natarajan, Yu Wang, Jingjing Zou
Abstract: Wearable devices enable continuous multi-modal physiological and behavioral monitoring, yet analysis of these data streams faces fundamental challenges including the lack of gold-standard labels and incomplete sensor data. While self-supervised learning approaches have shown promise for addressing these issues, existing multi-modal extensions present opportunities to better leverage the rich temporal and cross-modal correlations inherent in simultaneously recorded wearable sensor data. We propose the Multi-modal Cross-masked Autoencoder (MoCA), a self-supervised learning framework that combines transformer architecture with masked autoencoder (MAE) methodology, using a principled cross-modality masking scheme that explicitly leverages correlation structures between sensor modalities. MoCA demonstrates strong performance boosts across reconstruction and downstream classification tasks on diverse benchmark datasets. We further establish theoretical guarantees by establishing a fundamental connection between multi-modal MAE loss and kernelized canonical correlation analysis through a Reproducing Kernel Hilbert Space framework, providing principled guidance for correlation-aware masking strategy design. Our approach offers a novel solution for leveraging unlabeled multi-modal wearable data while handling missing modalities, with broad applications across digital health domains.
Authors: Shangmin Guo, Omar Darwiche Domingues, Rapha\"el Avalos, Aaron Courville, Florian Strub
Abstract: Tool use in stateful environments presents unique challenges for large language models (LLMs), where existing test-time compute strategies relying on repeated trials in the environment are impractical. We propose dynamics modelling (DyMo), a method that augments LLMs with a state prediction capability alongside function calling during post-training. This enables LLMs to predict the future states of their actions through an internal environment model. On the Berkeley Function Calling Leaderboard V2, DyMo improves success rates and significantly reduces hallucinations. We further integrate the internal environment model into self-verification sampling (SVS), and show that this substantially improves pass^k over number of trials k, and allows the model to refuse unreliable outputs. Together, DyMo and SVS greatly enhance the effectiveness and reliability of LLMs for tool use. We believe this work charts a path towards scalable planning RL methods for LLM inference without repeatedly querying the oracle environment.
Authors: Maria Walch
Abstract: We explore the role of torsion in hybrid deep learning models that incorporate topological data analysis, focusing on autoencoders. While most TDA tools use field coefficients, this conceals torsional features present in integer homology. We show that torsion can be lost during encoding, altered in the latent space, and in many cases, not reconstructed by standard decoders. Using both synthetic and high-dimensional data, we evaluate torsion sensitivity to perturbations and assess its recoverability across several autoencoder architectures. Our findings reveal key limitations of field-based approaches and underline the need for architectures or loss terms that preserve torsional information for robust data representation.
Authors: Cristina Aggazzotti, Matthew Wiesner, Elizabeth Allyn Smith, Nicholas Andrews
Abstract: Speaker attribution from speech transcripts is the task of identifying a speaker from the transcript of their speech based on patterns in their language use. This task is especially useful when the audio is unavailable (e.g. deleted) or unreliable (e.g. anonymized speech). Prior work in this area has primarily focused on the feasibility of attributing speakers using transcripts produced by human annotators. However, in real-world settings, one often only has more errorful transcripts produced by automatic speech recognition (ASR) systems. In this paper, we conduct what is, to our knowledge, the first comprehensive study of the impact of automatic transcription on speaker attribution performance. In particular, we study the extent to which speaker attribution performance degrades in the face of transcription errors, as well as how properties of the ASR system impact attribution. We find that attribution is surprisingly resilient to word-level transcription errors and that the objective of recovering the true transcript is minimally correlated with attribution performance. Overall, our findings suggest that speaker attribution on more errorful transcripts produced by ASR is as good, if not better, than attribution based on human-transcribed data, possibly because ASR transcription errors can capture speaker-specific features revealing of speaker identity.
Authors: Peng Chen, Hailiang Zhao, Jiaji Zhang, Xueyan Tang, Yixuan Wang, Shuiguang Deng
Abstract: The online caching problem aims to minimize cache misses when serving a sequence of requests under a limited cache size. While naive learning-augmented caching algorithms achieve ideal $1$-consistency, they lack robustness guarantees. Existing robustification methods either sacrifice $1$-consistency or introduce significant computational overhead. In this paper, we introduce Guard, a lightweight robustification framework that enhances the robustness of a broad class of learning-augmented caching algorithms to $2H_k + 2$, while preserving their $1$-consistency. Guard achieves the current best-known trade-off between consistency and robustness, with only $O(1)$ additional per-request overhead, thereby maintaining the original time complexity of the base algorithm. Extensive experiments across multiple real-world datasets and prediction models validate the effectiveness of Guard in practice.
Authors: Zhen Han, Mattias Teye, Derek Yadgaroff, Judith B\"utepage
Abstract: The training of high-quality, robust machine learning models for speech-driven 3D facial animation requires a large, diverse dataset of high-quality audio-animation pairs. To overcome the lack of such a dataset, recent work has introduced large pre-trained speech encoders that are robust to variations in the input audio and, therefore, enable the facial animation model to generalize across speakers, audio quality, and languages. However, the resulting facial animation models are prohibitively large and lend themselves only to offline inference on a dedicated machine. In this work, we explore on-device, real-time facial animation models in the context of game development. We overcome the lack of large datasets by using hybrid knowledge distillation with pseudo-labeling. Given a large audio dataset, we employ a high-performing teacher model to train very small student models. In contrast to the pre-trained speech encoders, our student models only consist of convolutional and fully-connected layers, removing the need for attention context or recurrent updates. In our experiments, we demonstrate that we can reduce the memory footprint to up to 3.4 MB and required future audio context to up to 81 ms while maintaining high-quality animations. This paves the way for on-device inference, an important step towards realistic, model-driven digital characters.
Authors: Siyi Wu, Junqiao Wang, Zhaoyang Guan, Leyi Zhao, Xinyuan Song, Xinyu Ying, Dexu Yu, Jinhao Wang, Hanlin Zhang, Michele Pak, Yangfan He, Yi Xin, Jianhui Wang, Tianyu Shi
Abstract: Cryptocurrency trading is a challenging task requiring the integration of heterogeneous data from multiple modalities. Traditional deep learning and reinforcement learning approaches typically demand large training datasets and encode diverse inputs into numerical representations, often at the cost of interpretability. Recent progress in large language model (LLM)-based agents has demonstrated the capacity to process multi-modal data and support complex investment decision-making. Building on these advances, we present \textbf{MountainLion}, a multi-modal, multi-agent system for financial trading that coordinates specialized LLM-based agents to interpret financial data and generate investment strategies. MountainLion processes textual news, candlestick charts, and trading signal charts to produce high-quality financial reports, while also enabling modification of reports and investment recommendations through data-driven user interaction and question answering. A central reflection module analyzes historical trading signals and outcomes to continuously refine decision processes, and the system is capable of real-time report analysis, summarization, and dynamic adjustment of investment strategies. Empirical results confirm that MountainLion systematically enriches technical price triggers with contextual macroeconomic and capital flow signals, providing a more interpretable, robust, and actionable investment framework that improves returns and strengthens investor confidence.
Authors: Frederik Vandeputte
Abstract: Generative AI (GenAI) has emerged as a transformative technology, demonstrating remarkable capabilities across diverse application domains. However, GenAI faces several major challenges in developing reliable and efficient GenAI-empowered systems due to its unpredictability and inefficiency. This paper advocates for a paradigm shift: future GenAI-native systems should integrate GenAI's cognitive capabilities with traditional software engineering principles to create robust, adaptive, and efficient systems. We introduce foundational GenAI-native design principles centered around five key pillars -- reliability, excellence, evolvability, self-reliance, and assurance -- and propose architectural patterns such as GenAI-native cells, organic substrates, and programmable routers to guide the creation of resilient and self-evolving systems. Additionally, we outline the key ingredients of a GenAI-native software stack and discuss the impact of these systems from technical, user adoption, economic, and legal perspectives, underscoring the need for further validation and experimentation. Our work aims to inspire future research and encourage relevant communities to implement and refine this conceptual framework.
Authors: Bidyapati Pradhan, Surajit Dasgupta, Amit Kumar Saha, Omkar Anustoop, Sriram Puttagunta, Vipul Mittal, Gopal Sarda
Abstract: The advancement of large language models (LLMs) is critically dependent on the availability of high-quality datasets for Supervised Fine-Tuning (SFT), alignment tasks like Direct Preference Optimization (DPO), etc. In this work, we present a comprehensive synthetic data generation framework that facilitates scalable, configurable, and high-fidelity generation of synthetic data tailored for these training paradigms. Our approach employs a modular and configuration-based pipeline capable of modeling complex dialogue flows with minimal manual intervention. This framework uses a dual-stage quality tagging mechanism, combining heuristic rules and LLM-based evaluations, to automatically filter and score data extracted from OASST-formatted conversations, ensuring the curation of high-quality dialogue samples. The resulting datasets are structured under a flexible schema supporting both SFT and DPO use cases, enabling seamless integration into diverse training workflows. Together, these innovations offer a robust solution for generating and managing synthetic conversational data at scale, significantly reducing the overhead of data preparation in LLM training pipelines.
Authors: Andreas D. Kellas, Neophytos Christou, Wenxin Jiang, Penghui Li, Laurent Simon, Yaniv David, Vasileios P. Kemerlis, James C. Davis, Junfeng Yang
Abstract: Machine learning model repositories such as the Hugging Face Model Hub facilitate model exchanges. However, bad actors can deliver malware through compromised models. Existing defenses such as safer model formats, restrictive (but inflexible) loading policies, and model scanners have shortcomings: 44.9% of popular models on Hugging Face still use the insecure pickle format, 15% of these cannot be loaded by restrictive loading policies, and model scanners have both false positives and false negatives. Pickle remains the de facto standard for model exchange, and the ML community lacks a tool that offers transparent safe loading. We present PickleBall to help machine learning engineers load pickle-based models safely. PickleBall statically analyzes the source code of a given machine learning library and computes a custom policy that specifies a safe load-time behavior for benign models. PickleBall then dynamically enforces the policy during load time as a drop-in replacement for the pickle module. PickleBall generates policies that correctly load 79.8% of benign pickle-based models in our dataset, while rejecting all (100%) malicious examples in our dataset. In comparison, evaluated model scanners fail to identify known malicious models, and the state-of-art loader loads 22% fewer benign models than PickleBall. PickleBall removes the threat of arbitrary function invocation from malicious pickle-based models, raising the bar for attackers to depend on code reuse techniques.
Authors: Meituan LongCat Team, Bayan, Bei Li, Bingye Lei, Bo Wang, Bolin Rong, Chao Wang, Chao Zhang, Chen Gao, Chen Zhang, Cheng Sun, Chengcheng Han, Chenguang Xi, Chi Zhang, Chong Peng, Chuan Qin, Chuyu Zhang, Cong Chen, Congkui Wang, Dan Ma, Daoru Pan, Defei Bu, Dengchang Zhao, Deyang Kong, Dishan Liu, Feiye Huo, Fengcun Li, Fubao Zhang, Gan Dong, Gang Liu, Gang Xu, Ge Li, Guoqiang Tan, Guoyuan Lin, Haihang Jing, Haomin Fu, Haonan Yan, Haoxing Wen, Haozhe Zhao, Hong Liu, Hongmei Shi, Hongyan Hao, Hongyin Tang, Huantian Lv, Hui Su, Jiacheng Li, Jiahao Liu, Jiahuan Li, Jiajun Yang, Jiaming Wang, Jian Yang, Jianchao Tan, Jiaqi Sun, Jiaqi Zhang, Jiawei Fu, Jiawei Yang, Jiaxi Hu, Jiayu Qin, Jingang Wang, Jiyuan He, Jun Kuang, Junhui Mei, Kai Liang, Ke He, Kefeng Zhang, Keheng Wang, Keqing He, Liang Gao, Liang Shi, Lianhui Ma, Lin Qiu, Lingbin Kong, Lingtong Si, Linkun Lyu, Linsen Guo, Liqi Yang, Lizhi Yan, Mai Xia, Man Gao, Manyuan Zhang, Meng Zhou, Mengxia Shen, Mingxiang Tuo, Mingyang Zhu, Peiguang Li, Peng Pei, Peng Zhao, Pengcheng Jia, Pingwei Sun, Qi Gu, Qianyun Li, Qingyuan Li, Qiong Huang, Qiyuan Duan, Ran Meng, Rongxiang Weng, Ruichen Shao, Rumei Li, Shizhe Wu, Shuai Liang, Shuo Wang, Suogui Dang, Tao Fang, Tao Li, Tefeng Chen, Tianhao Bai, Tianhao Zhou, Tingwen Xie, Wei He, Wei Huang, Wei Liu, Wei Shi, Wei Wang, Wei Wu, Weikang Zhao, Wen Zan, Wenjie Shi, Xi Nan, Xi Su, Xiang Li, Xiang Mei, Xiangyang Ji, Xiangyu Xi, Xiangzhou Huang, Xianpeng Li, Xiao Fu, Xiao Liu, Xiao Wei, Xiaodong Cai, Xiaolong Chen, Xiaoqing Liu, Xiaotong Li, Xiaowei Shi, Xiaoyu Li, Xili Wang, Xin Chen, Xing Hu, Xingyu Miao, Xinyan He, Xuemiao Zhang, Xueyuan Hao, Xuezhi Cao, Xunliang Cai, Xurui Yang, Yan Feng, Yang Bai, Yang Chen, Yang Yang, Yaqi Huo, Yerui Sun, Yifan Lu, Yifan Zhang, Yipeng Zang, Yitao Zhai, Yiyang Li, Yongjing Yin, Yongkang Lv, Yongwei Zhou, Yu Yang, Yuchen Xie, Yueqing Sun, Yuewen Zheng, Yuhuai Wei, Yulei Qian, Yunfan Liang, Yunfang Tai, Yunke Zhao, Zeyang Yu, Zhao Zhang, Zhaohua Yang, Zhenchao Zhang, Zhikang Xia, Zhiye Zou, Zhizhao Zeng, Zhongda Su, Zhuofan Chen, Zijian Zhang, Ziwen Wang, Zixu Jiang, Zizhe Zhao, Zongyu Wang, Zunhai Su
Abstract: We introduce LongCat-Flash, a 560-billion-parameter Mixture-of-Experts (MoE) language model designed for both computational efficiency and advanced agentic capabilities. Stemming from the need for scalable efficiency, LongCat-Flash adopts two novel designs: (a) Zero-computation Experts, which enables dynamic computational budget allocation and activates 18.6B-31.3B (27B on average) per token depending on contextual demands, optimizing resource usage. (b) Shortcut-connected MoE, which enlarges the computation-communication overlap window, demonstrating notable gains in inference efficiency and throughput compared to models of a comparable scale. We develop a comprehensive scaling framework for large models that combines hyperparameter transfer, model-growth initialization, a multi-pronged stability suite, and deterministic computation to achieve stable and reproducible training. Notably, leveraging the synergy among scalable architectural design and infrastructure efforts, we complete model training on more than 20 trillion tokens within 30 days, while achieving over 100 tokens per second (TPS) for inference at a cost of \$0.70 per million output tokens. To cultivate LongCat-Flash towards agentic intelligence, we conduct a large-scale pre-training on optimized mixtures, followed by targeted mid- and post-training on reasoning, code, and instructions, with further augmentation from synthetic data and tool use tasks. Comprehensive evaluations demonstrate that, as a non-thinking foundation model, LongCat-Flash delivers highly competitive performance among other leading models, with exceptional strengths in agentic tasks. The model checkpoint of LongCat-Flash is open-sourced to foster community research. LongCat Chat: https://longcat.ai Hugging Face: https://huggingface.co/meituan-longcat GitHub: https://github.com/meituan-longcat
URLs: https://longcat.ai, https://huggingface.co/meituan-longcat, https://github.com/meituan-longcat
Authors: Gabriele Digregorio, Marco Di Gennaro, Stefano Zanero, Stefano Longari, Michele Carminati
Abstract: The rise of model-sharing through frameworks and dedicated hubs makes Machine Learning significantly more accessible. Despite their benefits, these tools expose users to underexplored security risks, while security awareness remains limited among both practitioners and developers. To enable a more security-conscious culture in Machine Learning model sharing, in this paper we evaluate the security posture of frameworks and hubs, assess whether security-oriented mechanisms offer real protection, and survey how users perceive the security narratives surrounding model sharing. Our evaluation shows that most frameworks and hubs address security risks partially at best, often by shifting responsibility to the user. More concerningly, our analysis of frameworks advertising security-oriented settings and complete model sharing uncovered six 0-day vulnerabilities enabling arbitrary code execution. Through this analysis, we debunk the misconceptions that the model-sharing problem is largely solved and that its security can be guaranteed by the file format used for sharing. As expected, our survey shows that the surrounding security narrative leads users to consider security-oriented settings as trustworthy, despite the weaknesses shown in this work. From this, we derive takeaways and suggestions to strengthen the security of model-sharing ecosystems.
Authors: Seokjin Go, Joongun Park, Spandan More, Hanjiang Wu, Irene Wang, Aaron Jezghani, Tushar Krishna, Divya Mahajan
Abstract: The rapid scaling of Large Language Models (LLMs) has pushed training workloads far beyond the limits of single-node analysis, demanding a deeper understanding of how these models behave across large-scale, multi-GPU systems. In this paper, we present a comprehensive characterization of LLM training across diverse real-world workloads and hardware platforms, including NVIDIA H100/H200 and AMD MI250 GPUs. We analyze dense and sparse models under various parallelism strategies -- tensor, pipeline, data, and expert -- and evaluate their effects on hardware utilization, power consumption, and thermal behavior. We further evaluate the effectiveness of optimizations such as activation recomputation and compute-communication overlap. Our findings show that performance is not determined solely by scaling hardware capacity. Scale-up systems with fewer, higher-memory GPUs can outperform scale-out systems in communication-bound regimes, but only under carefully tuned configurations; in other cases, scale-out deployments achieve superior throughput. We also show that certain parallelism combinations, such as tensor with pipeline, lead to bandwidth underutilization due to inefficient data chunking, while increasing microbatch sizes beyond a certain point induces bursty execution and peak power excursions that worsen thermal throttling. These insights reveal how training performance is shaped by complex interactions between hardware, system topology, and model execution. We conclude by offering recommendations for system and hardware design to improve the scalability and reliability of future LLM systems and workloads. The source code of this project is available at https://github.com/sitar-lab/CharLLM-PPT.
Authors: Omid Gheibi, Christian K\"astner, Pooyan Jamshidi
Abstract: Performance-influence models are beneficial for understanding how configurations affect system performance, but their creation is challenging due to the exponential growth of configuration spaces. While gray-box approaches leverage selective "structural knowledge" (like the module execution graph of the system) to improve modeling, the relationship between this knowledge, a system's characteristics (we call them "structural aspects"), and potential model improvements is not well understood. This paper addresses this gap by formally investigating how variations in structural aspects (e.g., the number of modules and options per module) and the level of structural knowledge impact the creation of "opportunities" for improved "modular performance modeling". We introduce and quantify the concept of modeling "hardness", defined as the inherent difficulty of performance modeling. Through controlled experiments with synthetic system models, we establish an "analytical matrix" to measure these concepts. Our findings show that modeling hardness is primarily driven by the number of modules and configuration options per module. More importantly, we demonstrate that both higher levels of structural knowledge and increased modeling hardness significantly enhance the opportunity for improvement. The impact of these factors varies by performance metric; for ranking accuracy (e.g., in debugging task), structural knowledge is more dominant, while for prediction accuracy (e.g., in resource management task), hardness plays a stronger role. These results provide actionable insights for system designers, guiding them to strategically allocate time and select appropriate modeling approaches based on a system's characteristics and a given task's objectives.
Authors: Mitchell Plyler, Yilun Zhang, Alexander Tuzhilin, Saoud Khalifah, Sen Tian
Abstract: LLMs are becoming increasingly capable and widespread. Consequently, the potential and reality of their misuse is also growing. In this work, we address the problem of detecting LLM-generated text that is not explicitly declared as such. We present a novel, general-purpose, and supervised LLM text detector, SElected-Next-Token tRAnsformer (SENTRA). SENTRA is a Transformer-based encoder leveraging selected-next-token-probability sequences and utilizing contrastive pre-training on large amounts of unlabeled data. Our experiments on three popular public datasets across 24 domains of text demonstrate SENTRA is a general-purpose classifier that significantly outperforms popular baselines in the out-of-domain setting.
Authors: Charuka D. Wickramasinghe, Krishanthi C. Weerasinghe, Pradeep K. Ranaweera
Abstract: Physics-Informed Neural Networks (PINNs) leverage machine learning with differential equations to solve direct and inverse problems, ensuring predictions follow physical laws. Physiologically based pharmacokinetic (PBPK) modeling advances beyond classical compartmental approaches by using a mechanistic, physiology focused framework. A PBPK model is based on a system of ODEs, with each equation representing the mass balance of a drug in a compartment, such as an organ or tissue. These ODEs include parameters that reflect physiological, biochemical, and drug-specific characteristics to simulate how the drug moves through the body. In this paper, we introduce PBPK-iPINN, a method to estimate drug-specific or patient-specific parameters and drug concentration profiles in PBPK brain compartment models using inverse PINNs. We demonstrate that, for the inverse problem to converge to the correct solution, the loss function components (data loss, initial conditions loss, and residual loss) must be appropriately weighted, and parameters (including number of layers, number of neurons, activation functions, learning rate, optimizer, and collocation points) must be carefully tuned. The performance of the PBPK-iPINN approach is then compared with established traditional numerical and statistical methods.
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: Nikhil Keetha, Norman M\"uller, Johannes Sch\"onberger, Lorenzo Porzi, Yuchen Zhang, Tobias Fischer, Arno Knapitsch, Duncan Zauss, Ethan Weber, Nelson Antunes, Jonathon Luiten, Manuel Lopez-Antequera, Samuel Rota Bul\`o, Christian Richardt, Deva Ramanan, Sebastian Scherer, Peter Kontschieder
Abstract: We introduce MapAnything, a unified transformer-based feed-forward model that ingests one or more images along with optional geometric inputs such as camera intrinsics, poses, depth, or partial reconstructions, and then directly regresses the metric 3D scene geometry and cameras. MapAnything leverages a factored representation of multi-view scene geometry, i.e., a collection of depth maps, local ray maps, camera poses, and a metric scale factor that effectively upgrades local reconstructions into a globally consistent metric frame. Standardizing the supervision and training across diverse datasets, along with flexible input augmentation, enables MapAnything to address a broad range of 3D vision tasks in a single feed-forward pass, including uncalibrated structure-from-motion, calibrated multi-view stereo, monocular depth estimation, camera localization, depth completion, and more. We provide extensive experimental analyses and model ablations demonstrating that MapAnything outperforms or matches specialist feed-forward models while offering more efficient joint training behavior, thus paving the way toward a universal 3D reconstruction backbone.
Authors: Mert G\"urb\"uzbalaban, Yasa Syed, Necdet Serhat Aybat
Abstract: We study trade-offs between convergence rate and robustness to gradient errors in the context of first-order methods. Our focus is on generalized momentum methods (GMMs)--a broad class that includes Nesterov's accelerated gradient, heavy-ball, and gradient descent methods--for minimizing smooth strongly convex objectives. We allow stochastic gradient errors that may be adversarial and biased, and quantify robustness of these methods to gradient errors via the risk-sensitive index (RSI) from robust control theory. For quadratic objectives with i.i.d. Gaussian noise, we give closed form expressions for RSI in terms of solutions to 2x2 matrix Riccati equations, revealing a Pareto frontier between RSI and convergence rate over the choice of step-size and momentum parameters. We then prove a large-deviation principle for time-averaged suboptimality in the large iteration limit and show that the rate function is, up to a scaling, the convex conjugate of the RSI function. We further show that the rate function and RSI are linked to the $H_\infty$-norm--a measure of robustness to the worst-case deterministic gradient errors--so that stronger worst-case robustness (smaller $H_\infty$-norm) leads to sharper decay of the tail probabilities for the average suboptimality. Beyond quadratics, under potentially biased sub-Gaussian gradient errors, we derive non-asymptotic bounds on a finite-time analogue of the RSI, yielding finite-time high-probability guarantees and non-asymptotic large-deviation bounds for the averaged iterates. In the case of smooth strongly convex functions, we also observe an analogous trade-off between RSI and convergence-rate bounds. To our knowledge, these are the first non-asymptotic guarantees for GMMs with biased gradients and the first risk-sensitive analysis of GMMs. Finally, we provide numerical experiments on a robust regression problem to illustrate our results.