Authors: Davie Chen
Abstract: Text-to-image and multimodal generative models are increasingly used to produce scientific figures such as mechanism diagrams, experimental-design schematics, conceptual frameworks, and graphical abstracts. Yet existing image-generation benchmarks (e.g., GenEval, T2I-CompBench, DPG-Bench) evaluate natural images and measure compositionality, object counting, or photorealism. None of them measure what makes a generated scientific figure usable: correct and legible text labels, faithful depiction of entities and their relations, coherent diagrammatic structure, and adherence to disciplinary drawing conventions. We introduce SciDraw-Bench, a benchmark of 32 structured scientific-figure generation tasks spanning eight figure types and ten disciplines, where each task pairs a natural-language prompt with a machine-checkable specification of required labels, relations, components, conventions, and negative constraints. We propose a four-dimensional evaluation protocol: Text Fidelity (OCR-based label recall and character error rate), Semantic Correctness (vision-language-model judging against the specification), Structural Quality, and Convention Adherence, together with a meta-evaluation protocol and a preliminary inter-judge reliability analysis (human-rating validation is ongoing). We evaluate a domain-specific system, SciDraw AI, against representative general-purpose text-to-image models, and outline a code-to-figure baseline as a planned extension. In a pilot over all eight figure types, the domain-specific system substantially outperforms the general-purpose baselines on every dimension and figure type, with the largest gaps on semantic correctness and convention adherence; text fidelity remains the hardest dimension for all systems.
Authors: Hongwei Xu
Abstract: A mesh of sovereign agents has no center: no shared clock, no shared model, and no coordinator to gather data or retrain. Its competence rests on each agent folding the projections its peers emit into a single internal state, online, from observations that arrive at irregular, unscheduled times, on a substrate whose weights it cannot retrain. Any one of these constraints is tractable on its own; folding optimally under all three at once is not. We ask what such a substrate must be, and prove two necessary conditions from one model of a self-evolving latent observed at irregular, exogenous times. Because the latent changes, its optimal estimator is time-varying: an adaptive timescale is necessary, and every fixed-gain filter is strictly suboptimal. And because arrivals are clock-free, the optimal estimate depends on the elapsed gap between them, which no gap-blind network recovers at any width or depth. This second condition is capacity-independent: scale cannot substitute for the missing dependence. The two conditions intersect in the continuous-time liquid class. An LSTM satisfies the first, a fixed continuous-time filter the second, and a multi-timescale liquid network both. Synthetic experiments confirm each: the network attains the timescale, and the separation is computed exactly. The characterization is necessary, not sufficient, and binds fixed-weight substrates: a network free to retrain reaches the class by other means. Proved per agent, the necessity binds every agent of a mesh, a structural condition on mesh intelligence.
Authors: Matthew Vandergrift, Esraa Elelimy, Martha White
Abstract: One goal in reinforcement learning (RL) research is to understand general-purpose sequential decision-making, using benchmark simulators as a proxy for learning in deployment settings. When running experiments, however, the goal of achieving high performance in the simulator can mutate into focusing exclusively on solving the simulator. To achieve high scores, researchers may adopt solutions exclusively meant for solving simulators, rather than learning while the agent is deployed outside a simulator. Solving simulators is also worthy of investigation, but it is a fundamentally different RL research question. In this paper, we argue that RL researchers need to distinguish between two use cases of simulators: solving simulators and using simulators as a proxy for learning in deployment. We first discuss how these two use-cases are importantly different, in terms of constraints on how the agent can use the simulator, which algorithms are appropriate, and which evaluation metrics are appropriate. We then highlight several issues and misleading conclusions that can occur by not making the distinction between these two settings clear, supported with examples and simple experiments. This work is a call to the community to begin clearly distinguishing how they are using simulators in their work, hopefully sparking further discussion on which empirical practices work best in each setting.
Authors: George Stamatelis, Kyriakos Stylianopoulos, George C. Alexandropoulos
Abstract: Online latent state estimation constitutes a fundamental challenge within the artificial intelligence field, serving as a foundational tool for diverse applications, including sequential decision making, anomaly and change-point detection. In this paper, a novel online distributed sensing framework, where agents collaborate and exchange information to perform latent state estimation, is presented. The proposed estimator combines available partial domain knowledge with the representation capabilities of deep neural networks. In particular, the designed sensing framework incorporates prior estimates, optimized consensus weights, and Kalman-like recursive updates to perform decentralized inference, without relying on knowledge of noise statistics. Extensive experiments on linear, chaotic (Lorenz), and practical wireless tracking environments reveal that the proposed Covariance-Agnostic Neural Kalman Consensus Filter (CA-NKCF) outperforms traditional distributed Kalman and particle filters as well as purely model-free deep neural networks, exhibiting robustness even when the underlying motion and observation models are misspecified. It is also demonstrated that CA-NKCF's performance advantage remains stable across varying noise levels, random communication topologies, latent state dimensions, and observation clutter densities induced by scattering objects in wireless systems.
Authors: Yi-Shan Chu
Abstract: Classical universal approximation theorems establish the expressive power of sigmoidal multilayer perceptrons, but they do not prescribe how initial weights should encode the geometry of a data distribution. We propose S-GAI, a spectral geometry-aware initialization framework for one-hidden-layer sigmoidal MLPs. Starting from the constructive idea that sigmoid units can act as smooth half-space gates, we move from hand-specified planar geometry to class-wise spectral geometry estimated from image data. For each class, SVD provides a mean, principal directions, and spectral scales. An energy threshold selects the retained directions, and each retained direction is represented by two sigmoid gates. These class-specific gates form a shared hidden layer initialized directly from the training set. We also formulate a SVD-based subspace classifier as a non-neural geometric reference, which tests whether the estimated spectral class geometry is already discriminative before being embedded into the MLP. Experiments on MNIST, Fashion-MNIST, and a more challenging CIFAR-10 test show that the S-GAI-initialized MLP starts from a substantially more informative hidden state than Xavier initialization and reaches comparable final accuracy under full training. When the hidden layer is frozen, training only the output layer still gives stronger performance than frozen random gates, providing evidence that S-GAI effectively embeds class-wise spectral geometry into the MLP.
Authors: Jun Tang, Pengwei Hu, Sicong Gao, Jie Guo, Lun Hu, Xin Luo
Abstract: Single-cell RNA sequencing (scRNA-seq) clustering is essential for identifying cell types, but high dimensionality, sparsity, dropout, and technical noise hinder robust expression representation and cell graph construction. Existing masked autoencoders mainly use expression recovery for feature reconstruction, while graph clustering methods usually depend on fixed KNN graphs and do not feed recovered expression back into graph optimization. We propose scKDGM, a KAN-guided dynamic graph masked learning framework for scRNA-seq clustering. scKDGM uses graph-aware distribution preserving gene masking (GDP-Mask) to perturb cell identity, a KAN-based TAKGCN encoder to learn masked-view representations, mask-guided expression recovery to construct a dynamic graph, and cross-view contrastive learning to transfer recovery signals into topology updates. A ZINB loss models overdispersion and zero inflation. Experiments on 12 real scRNA-seq datasets show that scKDGM outperforms 10 baselines in average NMI and ARI.
Authors: Hossein Mohebbi, Oliver Schulte, Ke Li, Pascal Poupart
Abstract: Data-driven modeling in real-world regression tasks often suffers from limited training samples, high collection costs, and noisy observations. Inspired by the impact of data augmentation in vision and language, we propose a novel Counterfactual Residual Data Augmentation (CRDA) technique for tabular regression. Our key insight is that once a regressor has modeled the systematic component of the data, the remaining noise can be viewed as an invariant residual that remains stable under small perturbations of carefully selected features. We exploit this residual invariance to generate new, yet realistic, training samples, effectively expanding the dataset without requiring additional real data. Our method is model-agnostic and readily applicable to various types of regressors. In experiments across datasets from a variety of benchmark repositories, on average, CRDA reduces an MLP Regressor's MSE by 22.9% and an XGBoost Regressor's MSE by 6.4%. When compared to existing state-of-the-art data generators and augmentation techniques, CRDA consistently outperforms in MSE reduction. By adding principled counterfactual variations to the training data, our method offers a simple and efficient remedy for noise-prone, small-sample regression settings.
Authors: Kathl\'en Kohn, Giovanni Luca Marchetti, Farhan Shabir, Vahid Shahverdi, Weisheng Wang
Abstract: In the optimization of neural networks, gradient dynamics are influenced by critical points that arise from the model's architecture. These critical points occur where the Jacobian of the model's parametrization is rank-deficient, and are the most pronounced singularities studied in Singular Learning Theory. We investigate such points in deep fully-connected networks with monomial activations via tools from polynomial algebra such as Mason's Theorem. We show that, for sufficiently large activation degree, criticality occurs precisely at subnetworks, i.e., at parameter configurations where some neurons are inactive or redundant. This offers a mathematical perspective on the implicit bias in deep neural networks, explaining the tendency of these models to converge toward simpler functions.
Authors: Dihia Falouz, Aida Douaibia, Amine Bechar, Youssef Elmir, Abbes Amira, Adel Oulefki
Abstract: Appliance-level energy monitoring in office buildings produces noisy alerts that non-expert facility managers struggle to use. This paper proposes an end-to-end agentic pipeline that combines deep time-series forecasting, variational anomaly detection, and LLM-based reasoning to generate prioritized, actionable maintenance recommendations. The system tracks seven office appliances using a hybrid Singular Spectrum Analysis (SSA) and Long Short-Term Memory (LSTM) forecasting model, and applies a per-appliance LSTM Variational Autoencoder (VAE) with attention to flag abnormal daily consumption episodes. A three-stage LangChain pipeline begins with a Context Agent that always retrieves three core RAG sources (model reliability, hourly baseline, and expert knowledge) and conditionally adds up to three more (forecast context, anomaly history, global baseline) based on event characteristics, capped at eight reasoning steps. A Diagnosis Agent converts the evidence into a structured JSON diagnosis, and a Report Agent renders a human-readable narrative. A reflective memory layer incorporates operator feedback. The dashboard shows real-time 30-minute forecasts, intraday consumption, the previous day anomaly report, and a feedback form. We evaluate the forecasting model, anomaly detector with appliance-specific thresholds, and LLM reasoning on a 16-scenario benchmark including sustained and transient spikes, unexpected shutdowns, and systemic events, comparing five LLM backends under static vs. dynamic retrieval. Dynamic retrieval matches full static retrieval across all backends while cutting average context from six to three-six sources per event. The best backend scores 90.4/100 with a 100% pass rate at a 70-point threshold, and a fully local 7B-parameter model passes all 16 scenarios.
Authors: Henry Groves, Lucia F. Jackson, Barbara-Anne Robertson, Jonte R. Hance
Abstract: We demonstrate how emotional valence influences the order-dependent structure of children's recognition memory: correct recall of a sequence of emotionally-valenced toys depended not just on the valence of a given toy itself, but also on the valence of the toys shown before and after it. Whilst standard psychological models confirm that order-dependence differs across an event (a set of toys shown in sequence), accuracy is low and the model does not reflect how memory for an emotional object influences others in the set. A classical tensor network model factoring in valence is able to achieve a 77.98\% accuracy in modelling the results of the study. While not strictly a ``quantum cognition'' model, this massive increase in accuracy shows the value of quantum-inspired methods for modelling order-dependent phenomena, such as emotional memory. Further, the task protocol we introduce presents a novel, real-world tool for exploring emotional temporal memory in children for analysis using classical and quantum-like models of cognition.
Authors: Christian Munoz, Alexandre Tartakovsky
Abstract: Training operator-learning models for large-scale problems governed by partial differential equations (PDEs) is challenging due to the curse of dimensionality, memory constraints, and limited training data. These challenges arise in many scientific and engineering applications, including subsurface flow, climate modeling, and geological carbon storage (GCS). In this work, we propose a scalable operator-learning framework based on the Karhunen-Loeve Deep Neural Network (KL-DNN) and demonstrate its performance for modeling GCS. The model is trained on a dataset comprising 100 samples of large-scale simulations in a three-dimensional domain with 1.7 million cells and 50 time steps. The KL-DNN method constructs latent spaces using low-rank singular value decomposition of static properties and a nested Karhunen-Loeve expansion for dynamic pressure fields, enabling full-resolution predictions without subsampling or spatial coarsening. The KL-DNN model achieves an average root mean square error (RMSE) of 1.1 psi for pressure (0.04% relative error with respect to the average pressure in the domain) and RMSE of 0.0146 for CO2 saturation (5% relative error with respect to the average saturation inside the plume). The model requires 20 minutes of training on a single GPU, representing a 19% reduction in the pressure errors, 7% reduction in the saturation error, and a two-order-of-magnitude speedup compared to DeepONet trained on the same dataset. These results, along with inference time of less than one minute, establish the proposed model as a practical and accurate solution for large-scale PDE problems, enabling rapid uncertainty quantification, history matching, and real-time decision support.
Authors: Samuele Poppi, Nils Lukas
Abstract: Fine-tuning on harmless data can partially undo behaviors acquired earlier in training. Safety can erode under benign post-alignment updates, unlearned capabilities can re-emerge, latent traits can transfer through apparently unrelated supervision, and related post-alignment fragility appears in other generative settings. We argue these phenomena are usefully viewed through a common training-history lens. Our hypothesis is geometric: large early training phases create dominant behavioral manifolds, while later alignment or specialization phases are shallower displacements from them. Subsequent fine-tuning can therefore inherit a persistent reversion component pointing back toward a witness of the dominant manifold. We call this the gravitational interpretation of fine-tuning reversion. Across our main settings, representational drift rapidly acquires a component along a history-defined reversion direction (v_rev). In our main track, alignment with v_rev rises from cos = 0.429 +/- 0.052 after the first update to 0.647 +/- 0.021 by step 20. Across 24 run-step pairs, every observed alignment exceeds the p99 of an isotropic activation-space null. We demonstrate that selectively blocking motion along v_rev changes the final alignment at T=100 from 0.648 +/- 0.009 to -0.211 +/- 0.021 and reduces harmfulness from 19.0% +/- 4.0% to 8.5% +/- 1.5% with little task cost. These results support v_rev as a causally relevant mediator of early post-alignment reversion in our setup. Importantly, we do not claim that v_rev is the unique safety direction, nor that the dominant manifold is directly observed; rather, we identify a robust, history-defined direction that explains and partially controls early reversion dynamics.
Authors: Anisha Pal, Aodhan Sweeney, Kyle Heyblom, Kalai Ramea
Abstract: Recent advances in AI-driven weather and climate modeling have improved forecast skill while reducing computational cost. However, existing data-driven approaches are limited in their ability to model coupled Earth system dynamics, which is required for extending predictability beyond the ~2-week horizon. To address this, we introduce NIVA, a multimodal foundation model designed to learn unified representations across Earth system components. While the full framework targets atmosphere, ocean, ice, and land interactions, we focus here on a two-modality setting (ocean and atmosphere) as a controlled proof of concept to evaluate whether foundation models can learn coupled dynamics. Trained on large-scale Earth system simulations, NIVA learns physically meaningful cross-modal structure, providing a foundation for subseasonal-to-seasonal prediction. As initial validation, we show that NIVA captures key modes of climate variability through accurate prediction of major climate indices.
Authors: Ruchi Pakhle
Abstract: In many real-world applications, such as retail sales, energy usage, and supply chain planning, forecasting is performed across hierarchical structures. These structures often represent aggregations (e.g., products to categories to regions), where forecasts must not only be accurate but also coherent, meaning that lower-level predictions sum correctly to higher-level forecasts. Traditional statistical methods, such as Bottom-Up and MinT, enforce coherence through post-processing but fail to model complex nonlinear temporal dependencies and covariate interactions. We propose Hierarchical Temporal Fusion (HTF), a novel extension of the Temporal Fusion Transformer (TFT) that integrates structured hierarchical embeddings with a coherence-aware loss function to ensure consistent forecasts across all levels of a hierarchy. Rather than applying reconciliation after forecasting, HTF embeds coherence directly into the training objective. The coherence loss penalizes the difference between aggregated child forecasts and their corresponding parent forecasts during training, enabling the model to learn both temporal dynamics and structural consistency simultaneously. We evaluate HTF on two publicly available benchmark datasets: the M5 Walmart forecasting dataset and a publicly available hierarchical energy consumption dataset. Results demonstrate that HTF substantially reduces forecast incoherence while improving forecasting accuracy compared with classical reconciliation methods and deep learning baselines. In addition, attention visualization and embedding analysis provide insight into how temporal and structural information contribute to hierarchical forecasting performance.
Authors: Rodrigo Mendoza-Smith
Abstract: The axiom of choice has divided the foundations of mathematics for over a century, but the distinction between classical and constructive proofs has remained a philosophical and methodological one. We use Lean 4's kernel-level tracking of axiom dependence to show that the axiom of choice has a measurable geometric correlate in proof space that obeys a one-parameter mixture law and has operational consequences for neural theorem provers. To do this, we partition $471{,}260$ declarations of Mathlib by transitive dependence on the axiom of choice and represent a filtered population of $42{,}355$ traced theorems by their sequences of tactic invocations. We use the constructive proofs in this dataset to train a self-supervised proof encoder and show that when using it to measure classical proofs, three complementary measurements (anomaly score, reconstruction loss, and density-superlevel containment) exhibit a common decline with the proof's distance from the axiom in the dependency graph, from sharp separation at the shallow boundary (AUC $0.847$ at distance $2$) to indistinguishability at distance~$9{+}$. Robustness controls show that the signature survives length, file, author, and topic controls, and replicates under full-source encoders trained on normalised proof source. Operationally, we show that on an evaluation sample of $251$ Mathlib theorems, Lean's \texttt{aesop} tactic solves constructive theorems at $13\times$ the rate of classical ones, and a neural-guided hybrid using the ReProver tactic generator compresses the gap to $5\times$. The geometric anomaly score predicts \texttt{aesop} failure beyond proof length, providing an operational link between the geometric signature and prover performance.
Authors: Andrea Montanari, Kangjie Zhou
Abstract: Modern machine learning models are trained by optimizing high-dimensional non-convex empirical risk functions. Such cost functions can have a multitude of local optima and yet, gradient-based optimization appears to converge to near-global optima. Within a simple supervised learning setting, we develop a precise picture of which parts of the empirical risk landscape are accessible by polynomial-time algorithms. We are given i.i.d. pairs $\{(\boldsymbol{x}_i,y_i):\; 1 \le i\le n\}$ with $\boldsymbol{x}_i\in \mathbb{R}^d$ standard Gaussian feature vectors, and $y_i\in\mathbb{R}$ response variables that depend on $\boldsymbol{x}_i$ through their projections on an unknown $k$-dimensional subspace. We use empirical risk minimization to learn a model that depends on an $m$-dimensional projection of the data (e.g., an $m$-neurons neural network). We propose an incremental approximate message passing (IAMP) algorithm and precisely characterize the training error it achieves, as well as the relation between test and training error, in the high dimensional asymptotics $n,d\to\infty$, with $n/d\to\alpha \in (0, +\infty)$. Based on earlier work in related models, we expect that the performance achieved by our algorithm is optimal among polynomial-time algorithms.
Authors: Nhi Nguyen, Shauli Ravfogel, Rajesh Ranganath
Abstract: Large language models (LLMs) are increasingly deployed in high-stakes domains, where free-text explanations such as chain-of-thought and post-hoc rationales are used to justify model outputs. Yet it remains unclear whether these explanations are sufficient, i.e., if they contain enough information to explain the model's output-generating process. We generalize classical sufficiency from feature attributions to arbitrary explanations and prove that explanation sufficiency can change depending on the input distribution, which must be explicitly defined for LLM explanations. We propose using the LLM itself to generate alternative inputs conditioned on an explanation, capturing its beliefs about possible inputs. We formalize self-consistent sufficiency as a goal for free-text explanations and introduce an information-theoretic metric, SCSuff, that enables evaluation of free-text explanations without relying on predefined biases or shortcuts. Our experiments show that SCSuff agrees with targeted perturbation tests where applicable and demonstrate that explanation sufficiency can vary with the input distribution. We find LLM explanations are generally insufficient and weakly correlated with model size, accuracy, or output entropy. Analysis of final-token hidden states shows that top and bottom SCSuff scores can be predicted from internal representations, suggesting that SCSuff can guide detection and improvement of sufficient LLM explanations. The code for this paper is available at https://github.com/rajesh-lab/self-consistent-sufficiency .
URLs: https://github.com/rajesh-lab/self-consistent-sufficiency
Authors: Toshinori Kitamura, Shuai Liu, Csaba Szepesv\'ari
Abstract: In stochastic linear bandits, the canonical Upper Confidence Bound (UCB) algorithm admits a simple frequentist regret analysis but can be computationally demanding, while Thompson Sampling (TS) is computationally attractive yet typically harder to analyze due to its non-optimistic nature. We propose Absolute Thompson Sampling (ATS), a simple modification of TS that ensures optimism in expectation by replacing the signed exploration noise with its absolute value. This preserves the computational efficiency of TS while avoiding the technically involved anti-concentration arguments common in TS analyses, enabling a simple UCB-style regret analysis. We show that ATS achieves $\tilde{O}(d^{3/2}\sqrt{K})$ regret, matching existing bounds for TS in linear bandits. We further introduce Ensemble Absolute Thompson Sampling (EATS), which takes the maximum over multiple absolute perturbations with normalization by the ensemble size. As the ensemble size grows, EATS converges to the UCB objective, recovering UCB behavior in the limit. Experiments show that moderate ensemble sizes already yield strong performance. Our results point to a bridge between randomized exploration and deterministic optimism both in theory and practice.
Authors: Md Mozaharul Mottalib, Rahmatollah Beheshti
Abstract: Effective sub-typing (also known as grouping or clustering) of patients using their electronic health record (EHR) data can greatly inform precision medicine efforts. However, subtyping temporal EHR datasets is known to be challenging due to inherent EHR issues, including complexity and irregularity. In this study, we propose a self-supervised Mamba-based model that learns effective EHR representations and enables enhanced patient subtyping. We evaluate the proposed model on public and private real-world EHR datasets to classify the data based on the available labels and subtype patients based on the representations learned from the model. Through an extensive set of experiments, we demonstrate that our model's design choices lead to better performance compared to competitive baseline models for prediction. Moreover, we evaluate several clustering techniques to demonstrate that our findings offer valuable insights into subtyping patients based on temporal records from EHR models\footnote{Our implementations are available at https://github.com/healthylaife/triplet_mamba.
Authors: Yong Yi Bay, Kathleen A. Yearick
Abstract: People overthink; language models over-sample, and the extra effort can talk both into a worse answer. Reasoning systems answer a hard question by sampling it many times (test-time scaling), and the more they draw, the more often a correct answer turns up somewhere, so coverage, the fraction of problems with at least one correct try, climbs and appears to be progress. But a deployed system must return one answer, and choosing it, not knowing which try is right, is selection; selection is capped, and past a point extra samples only make the model surer of a confident mistake, even as every draw adds cost. The gap between climbing coverage and stalled selection, the identifiability gap, is the answer a model can produce but not pick. So the real question is not whether to sample but how far, and the answer is: not far. For picking an answer, the vote has already settled within a few dozen draws, the modal ceiling; for scoring a benchmark, sooner still, the correlation ceiling. Beyond that, extra draws cost compute and add nothing, and can even make the answer worse. This paper turns the cutoff into a single number, the effective number of samples, that any sampling run already reveals. The bottleneck is recognizing a right answer, not generating one.
Authors: Yuto Omae, Kazuki Sakai, Yohei Kakimoto, Makoto Sasaki, Yusuke Sakai, Hirotaka Takahashi
Abstract: The flatness hypothesis suggests that flatness of the loss landscape, as measured by the eigenvalues of the loss Hessian, correlates with better neural network generalization. While various algorithms reduce these eigenvalues, most focus on procedural design, leaving it unclear how data distributions and NN parameters structurally determine directions toward flat minima. Characterizing these directions analytically is generally intractable. To overcome this mathematical difficulty, recent studies derived the Wolkowicz-Styan (WS) upper bound on the maximum eigenvalue of the cross-entropy loss Hessian in three-layer NNs. Although this upper bound is differentiable, its gradient was not derived. Therefore, we analytically derive the gradient of the WS upper bound to characterize directions leading to flat minima. Based on this, we propose Hessian Spectral Range (HSR) Regularization, which updates parameters along the steepest descent direction of the WS bound. Experiments demonstrate that HSR Regularization narrows the Hessian eigenvalue spectrum, avoids sharp minima and saddle points, and promotes convergence to flat minima. Although the applicability of this method is currently limited to cross-entropy loss and three-layer architectures, to the best of the authors' knowledge, this is the first study to report a closed-form gradient that promotes convergence to flat minima without numerical approximations. Therefore, the theoretical analysis of this gradient is expected to contribute to the further development of NNs.
Authors: Congde Hu, Zhuo Jin, Danping Li, Lin Xu
Abstract: To address parameter misspecification and sudden structural environmental changes in conventional stochastic differential game (SDG) frameworks, this paper introduces a distributional control approach that characterizes optimal strategies as probability distributions over actions, conditioned on the continuous state, the discrete regime state, and parameters. This forms a reinforcement learning framework for entropy-regularized zero-sum stochastic differential games (ERRL-ZSSDGs) in a regime-switching jump-diffusion process. Using the dynamic programming principle (DPP), we derive the associated coupled systems of Hamilton-Jacobi-Bellman-Isaacs (HJBI) equations, from which equilibrium strategies are expressed via gradients of the value function. For linear-quadratic problems, semi-analytical solutions for both value function and equilibrium strategies are obtained by solving a system of coupled ordinary differential equations (ODEs). In more general settings, an Actor-Critic policy improvement algorithm is developed to approximate the value functions and equilibrium policies across different regimes. The method is applied to an investment game, and numerical examples illustrate the effect of the temperature parameter and regime transitions on optimal policies and values.
Authors: Congde Hu, Danping Li, Lin Xu, Wenying Xu
Abstract: Stackelberg differential games (SDGs) provide a powerful framework for hierarchical decision-making in stochastic and continuous-time environments, yet their solution remains computationally challenging due to the complexity of traditional dynamic programming and Hamilton-Jacobi-Bellman-Isaacs (HJBI) methods, especially in high-dimensional systems. This paper proposes an entropy-regularized reinforcement learning (ERRL) approach for linear-quadratic SDGs (LQ-SDGs) within a continuous-time diffusion framework governed by Markovian regime switching. The key innovation lies in deriving exploratory weakly-coupled HJBI equations with entropy regularization, which promotes stochastic policies that actively avoid suboptimal equilibria -- a limitation of classical SDG methods. Neural networks are integrated to approximate regime-dependent value functions and solve high-dimensional partial differential equations (PDEs) efficiently, while a novel sampling technique enhances computational tractability. Numerical results demonstrate the effectiveness of the framework compared to conventional approaches, particularly in escaping suboptimal traps through exploratory policies. The study highlights the critical role of entropy regularization and neural network approximations in achieving robust solutions for hierarchical decision-making problems under abrupt environmental shifts.
Authors: Michael Cardei, Jose M Munoz, Oscar Barrera, Shreyas K Chandrahas, Partha Saha
Abstract: Generative models in finance face the dual challenge of producing realistic data while satisfying strict regulatory and economic objectives, a requirement that standard tabular diffusion models cannot provide. To address this difficulty, we introduce Constrained Tabular Diffusion for Finance (CTDF), a novel integration of sampling-time feasibility operations with mixed-type tabular diffusion in financial applications. By incorporating a training-free feasibility operator into the reverse-diffusion sampling loop, CTDF enforces hard constraints for applications such as simulation, legal compliance, and extrapolation. Extensive experiments on large-scale financial datasets demonstrate zero constraint violations and improvement in scarce data utility. CTDF establishes a robust method for generating trustworthy and compliant synthetic data, opening new avenues for rigorous generative modeling and analysis in the financial domain.
Authors: Gunn Kim
Abstract: We propose a path-space formulation of prediction in AI world models. Rather than sequences of one-step conditional distributions, we argue that a world model implicitly defines a probability measure over future trajectories. In the local regime where latent dynamics admit an effective Markovian description, this path measure takes the Onsager-Machlup form. Within this framework, prediction (most probable trajectory), planning (constrained optimization), and uncertainty (fluctuations) emerge as operations on a single action functional. We decompose the latent dynamics into reversible and irreversible components and introduce operational measures of entropy production from model rollouts. In controlled small-scale attention-based models, we find that attention asymmetry is acquired during training in proportion to the irreversibility of the data. Symmetrizing the learned attention suppresses entropy production and selectively degrades long-horizon prediction of irreversible dynamics while preserving relaxational prediction. These results suggest that irreversibility may serve as a computational resource for predictive world models. More generally, the fundamental predictive object is a distribution over future paths rather than states.
Authors: Yuexuan Wang, Jingyuan Zhou, Kaidi Yang
Abstract: Hierarchical decision-making frameworks are pivotal for addressing complex control tasks, enabling agents to decompose intricate problems into manageable subgoals. Despite their promise, existing hierarchical policies face critical limitations: (i) reinforcement learning (RL)-based methods struggle to guarantee strict constraint satisfaction, and (ii) optimal control (OC)-based approaches often rely on myopic and computationally prohibitive formulations. To reconcile these trade-offs, hierarchical RL-OC architectures have emerged as a promising paradigm. However, the formulation of the lower-level optimization within these frameworks remains underexplored, often relying on heuristic or myopic objectives. In this work, we propose a principled framework that systematically integrates upper-level goal abstraction with structured lower-level decision making. We adopt an inverse optimization approach to inform the structure of the lower-level problem from expert demonstrations, ensuring that the objective of the lower-level policy remains aligned with the overall long-term task goal. To validate the approach, our framework is evaluated on distinct decision making tasks: network-based resource allocation and continuous collision avoidance. Empirical results demonstrate that our method consistently outperforms strong baselines based on end-to-end RL, learning-augmented optimal control, and existing hierarchical RL approaches in both efficiency and decision quality.
Authors: Huakun Liu, Miao Cheng, Xin Wei, Felix Dollack, Victor Schneider, Hideaki Uchiyama, Chia-huei Tseng, Yoshifumi Kitamura, Monica Perusquia-Hernandez
Abstract: Emotional body motion expressions are an essential element of non-verbal communication. Effectively conveying these expressions through technology is of utmost importance, for example, with virtual reality avatars and in social robotics. Recent advances in generative models have opened new opportunities for advancing research on emotional body motion learning. However, generating accurate emotional expression representations is challenging, given the subtlety of emotional cues, individual variability, and cultural differences. We investigate whether a generative model can implicitly learn emotional body motions directly from culturally grounded motion-capture data, without explicit emotion-motion guidance. Using a dataset of emotional performances by 49 Japanese actors, we trained a Transformer-based generative model to generate expressive motions conditioned on 13 discrete emotion labels. We evaluate the generated motions from two perspectives: (1) an LSTM-based classifier to assess recognizability by machine observers, achieving a recognition accuracy of 22.80%, and (2) a human perception study with Japanese raters to assess alignment with human affective interpretations, yielding a recognition accuracy of 24.91%. Beyond these, we evaluate the utility of generative modeling for three practical tasks: augmenting emotion recognition models, extracting representative emotion-specific motion patterns, and synthesizing smooth transitions between emotion intensities. Our findings highlight the potential of implicit, data-driven generative modeling to enhance affective computing applications and our understanding of emotion expressions.
Authors: Li-Chun Zhang, Siu-Ming Tam, Luis Sanguiao-Sande, Wesley Yung, Anders Holmberg
Abstract: Machine Learning (ML) algorithms, such as k-Nearest Neighbours (kNN) or random forest, eschew the ideal of true data models in favour of predictive performance. However, minimising the MSE or F-score cannot lead to unbiasedness directly, which is important in many situations such as official statistics. We study the conditions of algorithmic ML, other than the existence and knowledge of true data models, which lead to unbiased prediction or classification for a given finite population, including how the training data may be sampled from the population, how a trained prediction algorithm can be tuned to achieve unbiased prediction or classification for that population, and how the performance of out-of-sample prediction or classification can be assessed unbiasedly. The inference is based on the known probability design of samples and training sets, rather than any assumed distributions or models.
Authors: Yuxuan Yang, Feiyang Ren, Bowen Zeng, Dalin Zhang, Jinpeng Chen, Gang Chen, Huan Li
Abstract: Long-context LLM inference faces a fundamental conflict: head-adaptive compression algorithms (e.g., Top-$p$ nucleus sampling) offer superior accuracy by dynamically fluctuating memory budgets, yet modern inference engines (e.g., vLLM) demand rigid, static memory patterns to leverage CUDA Graphs and PagedAttention. We resolve this ``Static-Dynamic'' mismatch with HARD-KV, a unified framework that that bridges dynamic selection with rigid system constraints. HARD-KV introduces a Cascade Cache hierarchy, managing the token lifecycle across dense, sparse, and condensed tiers. Crucially, we propose a Logits Calibration mechanism that normalizes diverse importance metrics into a unified probability space, enabling consistent Top-$p$ budgeting across heterogeneous heads. To bridge the efficiency gap, we offer a system-level solution, which rewrites fragmented, dynamic indices into contiguous physical layouts compatible with high-performance inference engine. Extensive experiments on math-reasoning benchmarks (AIME, U-Math) verify that HARD-KV achieves up to 2$\times$ throughput improvement over static baselines while maintaining high-fidelity generation in 10k+ token scenarios. Code is available at https://github.com/SuDIS-ZJU/HARDInfer.
Authors: Jian Xu, Delu Zeng, Qibin Zhao
Abstract: Quantum kernel estimation on near-term hardware is shot-budgeted: every entry of the kernel Gram matrix is a Bernoulli expectation that must be sampled with a finite number of circuit executions. Recent work on quantum kernel classification has shown that allocating shots non-uniformly across kernel entries, weighted by their downstream task sensitivity, can reduce the shot budget required to reach a target accuracy. We extend this idea to Gaussian process (GP) regression, a setting whose downstream quantities (full-spectrum posterior variance, log-determinant, marginal likelihood) couple to kernel error more tightly than the sign-only outputs of classification. We derive three closed-form pair-level sensitivities predictive coupling $|\alpha_i\alpha_j|$, leave-one-out residual, and marginal-likelihood gradient and plug them into a Neyman-style minimum-variance allocation rule. To prevent catastrophic over-concentration when the warm-up sensitivity estimate is itself noisy, we add a high uniform coverage floor justified by a Frobenius lower bound on the missing-entry perturbation. On four UCI benchmarks and two synthetic RBF + Bernoulli controlled studies, the resulting allocator delivers $10$--$21\%$ test-RMSE improvement over uniform allocation across the moderate-budget regime. The gain transfers (i) to genuine ZZ and Pauli-Z quantum kernels on quantum-natural data ($-13$--$15\%$ at low budget, $p<0.05$ paired) and (ii) to four downstream tasks (Bayesian quadrature, heteroscedastic regression, hyperparameter learning, multi-output Cokriging). On UCI features embedded into a ZZ kernel the gain disappears, consistent with the exponential-concentration regime where shot allocation has nothing to exploit.
Authors: Wenhao Yuan, Chenchen Lin, Jian Chen, Jinfeng Xu, Zewei Liu, Edith Cheuk Han Ngai
Abstract: Federated Learning (FL) emerged as a promising distributed machine learning paradigm. However, extending FL to the class incremental learning scenarios introduces unique challenges: 1) Capacity conflict and catastrophic forgetting from the shared model overloading, 2) Heterogeneity from Non-Independent and Identically Distributed (Non-IID) data, and 3) Synchronized class misalignment. In this paper, we propose \textbf{F}isher-Routed \textbf{M}i\textbf{X}ture of Experts for \textbf{Fed}erated Class-Incremental Learning (\textsc{FedFMX}), a novel framework to address these challenges via adaptive expert specialization across clients. The crucial insight is to route each sample to an expert subset that jointly optimizes knowledge acquisition and retention. Specifically, we introduce a Fisher-Routed Expert Scoring (FRES) module to estimate expert importance via Fisher-based stability cost and gradient-based plasticity gain. Then, we design an Adaptive Expert Selection (AES) module by quantifying marginal contributions for adaptive expert subset determination. Finally, by the routing-aware regularization (RAR), we achieve load balance and efficient FL training. We theoretically prove the $\mathcal{O}(T^{-1})$ convergence rate. Extensive experiments on multiple benchmarks compared with state-of-the-art methods demonstrate the superiority of \textsc{FedFMX}.
Authors: Zewen Liu
Abstract: We introduce the Contagion Tensor, a measurement framework for quantifying how large language model (LLM) output distributions couple across modalities, agents, and time steps. From the tensor we derive the Coupling Amplification Factor (CAF), a family of ratio-based metrics sharing the form CAF = E[T_condition] / E[T_baseline], providing unitless, baseline-referenced measurement with bootstrap confidence intervals. We instantiate CAF in four variants and evaluate the strongest in a complete 2x2x2 block-orthogonal simulation design with modality-specific ablation. The ablation reveals that an apparent image-condition super-linear effect (CAF = 1.40) collapses to sub-linear (CAF = 0.87) when the image perturbation module is disabled, a shift of -0.53 with zero effect on text conditions. We supplement with real-API experiments across two model families: DeepSeek-Chat (R=30) and GPT-4o-mini (R=15, real vision). Under uniform personas, text-only communication produces CAF approx 1.0 in both models. Diverse personas drive convergence (CAF = 0.88). A within-model comparison on GPT-4o-mini reveals: C3 (text) CAF = 1.02 vs. C5 (real vision, R=30) CAF = 1.72 [1.700, 1.733], delta = +0.70, validating the simulation's super-linear image-condition prediction. Of 11 conditions, 5 have been tested on real APIs and 6 remain unverified. Our contribution is two-layered: (1) a measurement instrument that makes output-distribution coupling quantitatively falsifiable; and (2) a transferable ablation protocol that any modular multi-agent simulator can adopt to distinguish genuine coupling from design artifacts.
Authors: Xin Zheng, Yifei Jin, Lei Guo
Abstract: The adaptive moment estimation algorithm, known as Adam, is widely used in modern machine learning, owing to its low per-iteration complexity and strong empirical performance. Despite its prevalent use, the theoretical foundation of Adam remains largely unexplored for time-varying and nonstationary systems. In fact, the existing theoretical analyses of Adam-type algorithms are primarily concerned with time-invariant model parameters and explicitly or implicitly rely on independent and identically distributed (i.i.d.) data assumptions, under which the learning taskcan be formulated as minimizing a fixed expected objective with a static minimizer. However, such assumptions are often violated in time-varying and nonstationary systems, thereby calling for a theoretical investigation beyond the conventional yet idealized i.i.d. setting. The main objective of this paper is to solve this challenging problem by establishing a general theory of Adam for time-varying and nonstationary stochastic systems. We will introduce some new techniques for analyzing the products of nonstationary and dependent random matrices induced by Adam's coupled first- and second-moment recursions, and will construct a new stochastic Lyapunov function that blends these two moment dynamics. Under a stochastic excitation condition that allows nonstationary and dependent data, we will derive both parameter tracking and output prediction error bounds explicitly, quantifying the effects of stepsize, first- and second-momentum parameters, gradient noise and parameter drift. These bounds not only provide guarantees for Adam performance, but also provide guidelines for hyperparameter selection. Experiments on both synthetic and real-world data validate our theory and design guidelines.
Authors: Gurdeep Singh Virdee
Abstract: Predicting student performance and characterizing metacognitive calibration are essential for personalization in intelligent tutoring systems. Prior research treats performance prediction, calibration error calculation, and variance decomposition as separate pipelines, preventing unified interpretation. I propose the Unified Behavioral Prediction and Calibration Analysis Pipeline (UBP-CAP), an integrated framework processing student pre-execution behavioral telemetry through three linked modules: (1) a LightGBM classifier with SHAP for binary correctness prediction, (2) formal calibration metrics (ECE, MCE, and Brier score decomposition) to evaluate metacognitive alignment, and (3) a crossed Generalized Linear Mixed-Effects Model (GLMM) for decomposing calibration deviations. I introduce the Predictive-Explanatory Divergence Index (PEDI), which quantifies structural divergence between predictive and explanatory feature profiles. Evaluated on 1,195 interaction records (27 students, 45 tasks), Logistic Regression achieves AUC-ROC = 0.903, outperforming LightGBM (0.878). Student naive ECE (0.109) significantly exceeds model ECE (0.068), confirming systematic miscalibration. The crossed GLMM yields ICCStudent = 0.123, showing calibration is situational rather than dispositional. PEDIcos = 0.081 (p = 0.327) indicates structural alignment between prediction and explanation on shared behavioral features.
Authors: Manasa Kaniselvan, Alexander Maeder, Denghui Lu, Alexandros Nikolaos Ziogas, Mathieu Luisier
Abstract: Machine-learned (ML) operator models can be trained to predict density functional theory (DFT) Hamiltonian/density matrices at significantly reduced computational cost, thus extending electronic-structure calculations to previously unfeasible scales. Here, we introduce MALOQ (Massively Accelerated Learning of Operators for Quantum Transport), an application built to train on and predict electronic-structure matrices for systems made of few to 100k atoms, described by large basis sets, and covering a wide range of atomic elements. Based on a state-of-the-art, SO(2)-equivariant backbone architecture, MALOQ provides (i) custom data-processing kernels to handle high-rank Hamiltonian matrix data and (ii) a scalable edge-wise distribution of atomic graph(s). Trained on the largest molecular Hamiltonian datasets available today, it reduces time-per-epoch by over 30% compared to a molecule-wise-distributed framework, and enables inference on material graphs of arbitrary size. We demonstrate scalable training and inference for 3,000-12,000 atoms on the Alps supercomputer, up to 192 GPUs and 256 GPUs, respectively.
Authors: Shaefer Drew, Edward Raff, Michael Brautbar, Yaron Zinar, Benjamin Malmberg, Dor Agron, Sagi Sheinfeld, Avraham Kama, Asaf Romano
Abstract: Lightweight Directory Access Protocol (LDAP) is a protocol that allows users to query and modify Active Directory (AD) data. By default, all users have read access to all AD data through LDAP, making it a common initial tool for reconnaissance when a threat actor first compromises an identity. To capture threat actors early in the reconnaissance phase, we developed two machine learning frameworks to detect LDAP reconnaissance: an ML classifier to predict malicious LDAP queries and an ML-based data-mining method to extract malicious query signatures. By correlating LDAP queries with endpoint detections, the first framework uses weak supervision to label a massive dataset and classify LDAP queries as malicious or benign. For immediate deployment, a second technique was developed on top of this approach to employ a rigorous statistical hypothesis-testing framework for mining novel, malicious LDAP signatures. While this weakly supervised approach is limited compared with manual human labeling, it is more practical for this use case because it leverages large-scale automated corpus construction, reducing costs and time. Ultimately, both the LDAP classifier and the ML-based LDAP signature mining method achieved performance benchmarks, with the classifier achieving up to a 65\% True Positive Rate (TPR) on the holdout set while limiting false positives, and mined signatures demonstrating 81.48\% field precision with CrowdStrike's Managed Detection and Response team.
Authors: Manu Nandan, TJ Jaymes, Michael Brautbar, Edward Raff
Abstract: Detecting security threats in an organization's cloud computing environment has become necessary due to the increased reliance on cloud infrastructure. Logging of all cloud computing events enables investigation into any incidents after they are detected. Automated detection of threats using the logs based on heuristics or anomaly detection could result in a high false positive rate due to its relatively static nature. In this article, we present an industrial case study of a self-supervised learning method using graph neural networks applied to AWS CloudTrail logs to surface suspicious events for analyst review. The model produces an anomaly score for each event and dynamically adapts to changes in the organization without requiring periodic retraining. Based on our experiments across five organizations, the proposed model produced substantially fewer alerts than a domain expert rule-based baseline in almost all cases, reducing alert volumes to approximately 1 per hour from thousands generated by traditional methods. We note that this evaluation covers only flagged events, and false negatives cannot be estimated from the current data; findings should therefore be interpreted as a practical deployment study offering insights into real-world constraints rather than a fully validated detection system. We discuss these limitations and the requirements for extending the approach to other cloud environments as future work.
Authors: Ananto Nayan Bala, Faisal Muhammad Shah
Abstract: Tool and agent routing from natural-language prompts is naturally a set-valued prediction problem: a single query may require multiple agents, while over-selection increases execution cost. The benchmark introduced here is derived from WildChat and contains 3,000 prompts over a fixed 12-agent catalog, with AI-assisted heuristic labels under a fixed schema and controlled rebalancing for multi-label evaluation. The evaluation protocol combines set-level metrics (Precision, Recall, F1, Jaccard, and Exact Match), latency, an execution-oriented capability-coverage simulation, and a constrained weighted-routing setting based on ordinal agent-cost tiers. Compared methods include nearest-neighbor matching, linear multilabel classification, dependency-aware baselines, a fine-tuned encoder, deterministic weighted post-scoring via Weighted Agent Routing (WAR), and a zero-shot LLM baseline. Results show that supervised routers substantially outperform nearest-neighbor and zero-shot LLM routing. The fine-tuned encoder achieves the strongest unconstrained set accuracy, while the linear multilabel model provides the strongest practical baseline. In the constrained setting, the weighted routing layer improves utility when applied on top of strong supervised scorers, with the largest gain observed for Encoder+WAR. Overall, the benchmark and evaluation protocol support reproducible study of accuracy-cost trade-offs in fixed-catalog multi-agent routing.
Authors: Dong Wang, Wenwu Tang, Yun Cheng, Olga Saukh
Abstract: Large language models have driven recent progress in language and multimodal AI, yet pre-training them at scale is prohibitively expensive. Low-rank pre-training, which factorizes each weight matrix into a rank-r product to reduce both parameters and FLOPs, is a promising response but typically lags full-rank training in quality. We propose Duplicated Latent Residual (DLR), a training-only, parameter-free, foldable plug-in for low-rank pre-training. DLR augments the standard low-rank output Bz with a fixed structured residual alpha/sqrt(K) * Expand_K(z) that replicates each latent coordinate K = ceil(d_out/r) times across the output. With alpha fixed, DLR adds zero learnable parameters per layer; after training, it is absorbed into the up-projection in closed form, B* = B + alpha/sqrt(K) R^T, so deployment parameter count, FLOPs and memory match the underlying low-rank backbone exactly. Across LLaMA models from 60M to 7B parameters, DLR strengthens low-rank pre-training on C4 validation perplexity in most settings, with the clearest gains at 130M and above; folded checkpoints transfer cleanly to supervised fine-tuning on standard benchmarks.
Authors: Tzu-Hsiang Lin, Srinivas Shakkottai, Dileep Kalathil, P. R. Kumar
Abstract: Behavior-cloned diffusion policies are expressive but remain vulnerable to covariate shift: small deviations from demonstrated states can compound into task failure. Existing methods address this either by expanding the training distribution through expert corrections or synthetic augmentation, or by steering a frozen policy at test time with guidance from a learned model. The former can be expensive or assumption-dependent, while the latter discards the corrected trajectories after execution. We introduce ReGuide, a self-improving framework that treats guided rollouts as reusable on-policy recovery data. ReGuide first uses Phase-Conditioned Guidance (PCG) to generate corrective rollouts: it constructs phase-specific latent targets, applies guidance only in the drifted-but-recoverable regime, and guides through the estimated clean action to match the dynamics model's training distribution. Successful guided rollouts are then absorbed back into the policy through ReGuide-FT, which fine-tunes the current checkpoint, or ReGuide-FS, which retrains from scratch on the augmented dataset; the two can also be composed and iterated. On Robomimic Can, Square, Transport, and Tool Hang, ReGuide improves base-policy success by $1.3$--$7.7\times$, outperforms LPB in the test-time-only setting, and matched-data ablations show that the gains come from guided recovery data rather than additional rollouts alone.
Authors: Veit Elser, Manish Krishan Lal
Abstract: In this study we present a formal definition of large discrete sets having, informally, three properties: their elements are easily recognized, easily generated, and the latter tasks are easily learned from examples. The formalism is specialized to sets of binary strings and a definition of "machine-learnability" based on the existence of a bounded-complexity Boolean autoencoder that fixes the elements of the set. We present experiments where the autoencoders are implemented by nets of Boolean threshold functions. Machine-learnability is demonstrated for Rorschach patterns (that may have reversed contrast in the mirrored half), and considerably "wilder" sets whose elements are only approximately fixed by admissible autoencoders. In the second case we demonstrate a simple iteration that evolves wild sets to make them properly machine-learnable.
Authors: Evgenii Opryshko, Umangi Jain, Igor Gilitschenski
Abstract: Reinforcement learning agents can exploit misspecified reward signals to achieve high apparent returns while failing on the intended objective, a failure mode known as reward hacking. Existing practical defenses typically constrain policy updates to stay near a known safe reference, creating a tension between suppressing hacking and permitting legitimate improvement. We propose Modification-Considering Value Learning (MCVL), which operationalizes the theoretical idea of current utility optimization for standard value-based RL. MCVL wraps an off-policy learner and treats each incoming transition as a candidate modification: it forecasts two training paths, one that includes the transition and one that does not, and scores both with a frozen bootstrapped-return estimator derived from a learned reward model and value function. The transition is admitted only if inclusion does not decrease the score. We formalize conditions under which this filtering is both safe and permissive, and instantiate MCVL with DDQN and TD3. Across four safety-relevant gridworlds and three modified MuJoCo continuous-control tasks with diverse hacking mechanisms, MCVL mitigates reward hacking while continuing to improve the intended objective. Project website: ktolnos.github.io/mcvl/.
Authors: Quanling Zhao, Jiaying Yang, Ye Tian, Josh Victoria, Zhijun Wang, Pietro Mercati, Onat Gungor, Tajana Rosing
Abstract: Unsupervised tabular anomaly detection requires methods that are accurate, robust across heterogeneous datasets, and computationally efficient. Classical statistical detectors are often efficient, but they usually rely on a fixed data view and a single notion of abnormality. Deep anomaly detectors can learn more flexible scoring functions, but they are substantially slower and difficult to tune in unsupervised settings due to the lack of a reliable supervisory signal. We propose RGLD, a randomized global-local density estimator for efficient unsupervised tabular anomaly detection. RGLD combines a global random-feature density branch, which identifies samples in broadly low-density regions, with a local neighbor branch, which detects samples that are weakly supported by nearby observations. Both branches operate over feature-bagged randomized views, allowing RGLD to expose anomaly evidence that may be hidden in any single representation. We conduct experiments on 47 tabular datasets against 23 statistical and deep anomaly detection baselines under fully unsupervised setting. RGLD achieves the strongest dataset-level AUROC performance, ranking 1st in dataset wins, and ranks 2nd in AUPRC wins. RGLD is also faster than all evaluated deep detectors, achieving 50x-580x speedups, and remains competitive with statistical methods in runtime, yielding a favorable accuracy-efficiency tradeoff.
Authors: Pharindra Pathak (Auburn University, Oakridge National Lab, NASA Glenn Research Center, Auburn University, Auburn University), Vipin Kumar (Auburn University, Oakridge National Lab, NASA Glenn Research Center, Auburn University, Auburn University), Trenton M. Ricks (Auburn University, Oakridge National Lab, NASA Glenn Research Center, Auburn University, Auburn University), Suhasini Gururaja (Auburn University, Oakridge National Lab, NASA Glenn Research Center, Auburn University, Auburn University), Siddhartha Srivastava (Auburn University, Oakridge National Lab, NASA Glenn Research Center, Auburn University, Auburn University)
Abstract: Short-fiber thermoplastic (SFT) composites are increasingly employed in lightweight aerospace and automotive structures owing to their favorable strength-to-weight ratio, high production rates, and recyclability. Unlike continuous-fiber systems, the mechanical response of SFTs is governed by mesoscale interactions among fiber orientation, spatial clustering, and manufacturing-induced porosity. These features exhibit significant spatial variability in manufactured components and influence stiffness, damage initiation, and nonlinear deformation. Although mesoscale finite element (FE) models can resolve such heterogeneity, their application to realistic three-dimensional microstructures remains computationally intractable. A data-driven surrogate framework is proposed to predict the mechanical behavior of additively manufactured, compression-molded (AM-CM) SFTs. Microstructures reconstructed from micro-computed tomography data were discretized into Voronoi-based cells representing distinct fiber-interaction neighborhoods. Each cell was homogenized via nonlinear FE simulations incorporating matrix damage, and the resulting stress-strain responses trained a hybrid Graph Neural Network-Long Short-Term Memory (GNN-LSTM) architecture encoding microstructural topology and history-dependent mechanical evolution. The surrogate accurately predicts stiffness and stress-strain behavior of unseen microstructures, achieving $R^2\approx 0.98$ relative to high-fidelity FE simulations with over two orders-of-magnitude reduction in computational cost. Coupling the framework with experimentally calibrated damage laws demonstrates that fiber orientation, clustering, and porosity collectively govern local effective stiffness. The approach provides a physics-informed, data-efficient pathway to identify mechanically weak microstructural cells and accelerate digital-twin development for SFT components.
Authors: Ziyu Cheng, Xitong Zhang, Longxiu Huang, Rongrong Wang
Abstract: Sharpness and complexity are two central factors in the generalization analysis of deep neural networks. Existing quantitative evaluations of generalization measures have largely focused on individual scalar measures, leaving the joint explanatory power of sharpness and complexity largely unexplored. This work studies how far sharpness and complexity can jointly explain generalization. We use linear regression and introduce a Pareto-based analysis to quantitatively evaluate the joint explanatory power of these two factors. Beyond the existing parameter-level definitions, we further propose realizations of sharpness and complexity that are closer to function space and less dependent on raw parameter representations. We find that function-oriented definitions of these two quantities expand the explanatory scope of the two-factor view beyond what is achieved by existing parameter-level metrics. Overall, our results support the sharpness-complexity perspective as an informative lens for understanding generalization across diverse settings. At the same time, the remaining failures indicate that whether this two-factor view can serve as a complete theory of generalization remains open.
Authors: Xinjin Li, Mengyue Wang, Yuzhen Lin, Pengbin Feng, Ziqi Sha, Yeyang Zhou, Yu Ma
Abstract: Knowledge Tracing (KT) is important for personalized education but traditionally suffers from two key limitations: a reliance on shallow ID-based representations that neglect semantic depth and a restriction to single-granularity mastery estimation that overlooks hierarchical knowledge dependencies. To address these challenges, we propose MOSAIC (Multi-granularity Online Semantic AI for Collaborative Knowledge), a novel framework that orchestrates LLM-driven semantic alignment with sequential modeling. Unlike methods that use LLMs solely as predictors, MOSAIC leverages a frozen LLM to generate dynamic, context-aware embeddings and hierarchical prediction prompts, explicitly capturing collaborative signals and peer interactions. Furthermore, we introduce a cross-granularity consistency objective that jointly regularizes mastery estimation across concept, topic-cluster, and global proficiency levels. Extensive experiments on ASSISTments, EdNet, and a newly collected large-scale MOOC dataset demonstrate that MOSAIC establishes new state-of-the-art results. Specifically, our method achieves AUC improvements of up to 3.4\% and Accuracy gains of up to 2.5 \% across all benchmarks. Notably, MOSAIC exhibits superior robustness in collaboration-rich environments and long-sequence scenarios (AUC 0.862 on MOOC), offering both high predictive precision and semantically grounded interpretability.
Authors: Donghwan Kim, Seung Hwan Park, Jun-Geol Baek
Abstract: In general, an ensemble classifier is more accurate than a single classifier. In this study, we propose an ensemble classifier called the kernel Fisher discriminant analysis forest (KFDA Forest), which is a tree-based ensemble method that applies KFDA. To promote diversity, bootstrap is used, and variable sets are randomly divided into K subsets. KFDA is performed on each subset to increase classification accuracy. KFDA maximizes the distance between classes while minimizing the distance within classes. KFDA can also be applied to classification problems in a nonlinear data structure using the kernel trick because it can transform the input space into a kernel feature space, commonly named a rotation, rather than performing a dimensionality reduction. Because new feature axes and KFDA projections are parallel, decision trees are used as a base classifier. To compare the proposed method with existing ensemble methods, we apply these to real datasets from the UCI and KEEL repositories.
Authors: Varun Kotte
Abstract: Large language models (LLMs) deployed for structured generation (NER, JSON extraction, QA, and classification) lack formal reliability guarantees, and standard heuristic abstention policies miss user-specified risk targets by 7.5--12.5%. We characterize when conformal risk control (CRC) can certify structured LLM outputs and when it provably cannot. First, we prove an impossibility result: when the base risk (\mu > \alpha), any distribution-free method must abstain on at least ((\mu-\alpha)/(1-\alpha)) examples, yielding a closed-form feasibility test: one can check whether CRC will work before running it. Second, we analyze a certification hierarchy across Hoeffding, empirical Bernstein, and a betting-based e-CRC bound, with strict gains in low-variance/large-sample regimes: the Hoeffding-to-Bernstein step delivers the largest gain (+37% certified configurations), while e-CRC adds value when calibration data is scarce (10% certification at 20% data versus 0% for Hoeffding). Third, we validate adaptive conformal inference (ACI) under cross-dataset shift, reducing risk-target violations from 71% to 21%, with residual failures concentrated exactly where the impossibility bound predicts. Across six open-weight models (3B--72B parameters), eight datasets, four tasks, and six nonconformity scores, hard NER/QA/CLS configurations are uncertifiable at (\alpha = 0.10); relaxing to (\alpha = 0.30--0.40) unlocks practical certification (47% NER, 40% QA, 60% CLS). The framework gives a three-step deployment recipe: check feasibility, select the bound and score, then mitigate shift.
Authors: Tassilo Klein, Johannes Hoffart
Abstract: Tabular foundation models cannot reason about data produced by running systems without access to the rules that govern them. We make this statement falsifiable. The \emph{Operational Turing Test} (OTT) constructs pairs of legal and rule-violating database states whose $1$- and $2$-way column-value marginals match to a total variation of $<0.02$; Le~Cam's lemma then bounds any values-only classifier at $\geq0.49$ Bayes error. Three values-only baselines (XGBoost, TabICL, TabPFN) hit the bound exactly (accuracy $0.50$, pre-registered two one-sided tests (TOST) $p<0.002$), raw row-level access does not help, exposing relational value consistency closes most of the gap, and only a classifier fed by seven executable rule-derived audits reaches $1.00$ classification accuracy. In three matched $100$-state frontier large-language-model (LLM) runs, models given the schema, trigger source, rule tables, and state files classify at most $2/50$ legal states as LEGAL; GPT-5.5 accepts $0/50$ legal states even with higher reasoning effort and a Structured Query Language (SQL) executor. The access-ladder pattern also appears on a second schema with structurally distinct rule families (banking ledger: cross-row balance, cumulative aggregate). The barrier is identifiability, not capacity: scale, data, and richer features cannot cross it without operational grounding.
Authors: Kai Hidajat
Abstract: In a changing decision problem, standard dynamic-regret analyses have often equated the cost of non-stationarity to how far loss moves. However, it is simultaneously possible for a loss sequence to travel far and retain the same optimal policy, or for a small movement in loss to force the optimal policy to change completely. Thus, the size of the movement through loss variation, transition variation, or comparator path length describe the adversary's motion, but not the cost of that motion to the control problem. For a more faithful analytic interpretation, this paper develops a normal-fan geometry for finite-horizon adversarial MDPs with fixed transitions. Occupancy measures form a polytope, and each loss vector exposes an optimal face of that polytope. Non-stationarity in rewards is therefore a path through the normal fan, where motion inside one cone leaves the optimal face unchanged, while crossing a wall may carry regret. We pose the notion of a face-crossing price, which is the minimum regret incurred by remaining on the previous optimal face under the new loss. For any learner that tracks the previous face, dynamic regret decomposes exactly into intrinsic priced face motion plus within-face selection error. The resulting theory separates consequential from harmless non-stationarity, where loss variation can be arbitrarily large at zero price, and identical one-coordinate variation can hide horizon-scale differences in regret.
Authors: Tzu-Tao Chang, Benjamin Yuanyang Hong, Kiet Pham, Shivaram Venkataraman
Abstract: Diffusion language models (DLMs) have recently emerged as a promising alternative to conventional autoregressive language models. By generating multiple tokens in parallel during each denoising step, they offer higher inference throughput while maintaining competitive quality. However, realizing these throughput gains while meeting latency SLOs in a serving system requires addressing challenges introduced by DLMs' unique characteristics. These include navigating the speed-quality tradeoff created by confidence-based denoising, choosing appropriate parallelization levels across model instances under fluctuating load, and coordinating approximate KV caching mechanisms that introduce non-uniform per-step costs. To address these challenges, we present DiLaServe, a cluster-level serving system for DLMs. DiLaServe enables deadline-aware scheduling and adaptive load control through confidence-threshold adjustment, and dynamically reconfigures the cluster by solving a quality-aware optimization problem, while explicitly modeling the step-level heterogeneity introduced by approximate KV caching. Across multiple benchmarks and real-world traces, DiLaServe improves SLO attainment by up to 56.6 percentage points and reduces end-to-end request latency by up to 46\% while incurring less than 1\% accuracy drop.
Authors: RuiKang OuYang, Hanlin Yu, Xinyue Ai, Yutong He, Nicholas M. Boffi, Pradeep Ravikumar, Jose Miguel Hernandez-Lobato, Max Simchowitz, Benjamin Kurt Miller, Omar Chehab
Abstract: Recent progress in flow-based generative modeling has led to models that output high-quality samples while using only a small number of function evaluations. However, at present, there is a lack of similar advances in estimating the model likelihood. In particular, most existing methods either rely on restrictive architectures that enable exact calculations, or use stochastic approximations such as Hutchinson's trace estimator that introduce substantial variance. In this work, we introduce SCAlable LikeLihood distillation of flOw maPs (SCALLOP). SCALLOP builds on the recently proposed F2D2, a likelihood flow map model that can generate samples and their densities in a small number of function evaluations. While F2D2 uses Hutchinson's estimator during training, we introduce an alternative and more scalable likelihood distillation objective that is Hutchinson-free and admits a vectorized formulation. Empirically, we demonstrate the effectiveness of SCALLOP as a Boltzmann generator in molecular science, and further validate its benefit on image datasets. SCALLOP significantly reduces both training variance and training time while consistently improving performance compared to F2D2, and is competitive with the state-of-the-art while achieving up to 10x inference speedup over the fastest baseline.
Authors: Guangmingmei Yang, David J. Miller, George Kesidis
Abstract: Deep learning, which in general relies on voluminous amounts of training data, is vulnerable to data poisoning attacks, including error-generic attacks and backdoors (Trojans). In this work, we propose a new data poisoning attack we dub a latent class attack. Here, all poisoned examples are from a class that is novel (unknown) for the given classification domain and are mislabeled to one of the known classes (the target class) of the domain, so that the model learns to recognize the novel class as a sub-class of the target class. Such attacks could be used e.g. to defeat AI-based access control systems, or could cause a "foe" to be classified as a "friend". We also propose a post-training defense to detect this attack, without any access to the training set. This detection approach builds on "class subspace orthogonalization" (CSO), a plug-and-play paradigm demonstrated to improve existing backdoor detectors. Here, CSO is used to seek an input (a putative unknown class instance) whose internal representation is not aligned with any of the known classes, and yet which is classified with confidence to one of these classes. Finally, specific to image classification domains, we propose a method for visualizing the estimated unknown class instance, providing explainability to our latent class detections.
Authors: Matthias Br\"andel, Stephan K\"ohler, Oliver Rheinbach
Abstract: We study how the next-token prediction of an autoregressive Transformer language model changes under small perturbations of earlier input token embeddings. Motivated by operator learning and iterative solvers for differential equations, we investigate how the influence of one token on another decays with distance in a trained model. In multilevel methods for differential equations, such as domain decomposition, multigrid, and multilevel preconditioning, one often exploits a separation between strong local interactions and weaker but essential global interactions. The latter correspond to the long tail of the Green's function and are typically handled by a coarse-level operator. Inspired by this perspective, we compute an empirical, distance-resolved gradient profile of token dependencies using autograd. Experiments on trained Pythia models and Qwen2.5-0.5B show that, over the measured distance range, the median Jacobian sensitivity is much better described by a power-law-type decay than by an exponential alternative: the diagonal-normalized profile is well described by $$\overline G(r) \approx \gamma+\beta(r+1)^{-p}$$ with exponents $p \approx 0.7$--$0.9$ (typically $0.8$--$0.9$). This behavior appears on coherent text from Gutenberg and WikiText-103. Token-shuffling experiments show that the power-law profile persists even when syntax and prediction quality collapse, whereas randomly initialized models do not exhibit it. The slowly decaying long-range sensitivity thus appears to be a learned property of trained autoregressive Transformer operators. These findings suggest that hierarchical or coarse-level mechanisms in language models may be able to exploit the long-tailed sensitivity profiles.
Authors: Zaiwen Yang, Huaqing Zhang, Jing Xu, Jingzhao Zhang
Abstract: Learning-rate transfer can reduce the cost of training large language models: instead of sweeping learning rates at target scale, practitioners extrapolate from smaller runs. Existing approaches often assume that the optimal learning rate follows a log-linear scaling law in data scale and model size. We carefully examine and evaluate this scaling law. In our empirical study of GPT-2--style models from 22M to 707M parameters trained on 5B to 100B tokens, the optimal learning rate develops upward curvature at larger scales, leading to inaccurate extrapolation. We find that this curvature largely disappears when learning rates are replaced by effective learning rate (the step size in normalized weight space), and when data $D$ extrapolation is used instead of model size $N$ extrapolation. Next, we explain nonlinearity in scaling: weight-norm converges to equilibrium slower when optimal learning is small, requiring a larger step size to reduce the transient phase. Experiments with AdamH, which directly controls the effective learning rate, further support this explanation.
Authors: Rui-Xi Wang, Runzhong Wang, Connor W. Coley
Abstract: Predicting tandem mass spectra (MS/MS) from molecular structures represents a central task in analytical chemistry with direct relevance to clinical metabolomics, systems biology, and adjacent disciplines. In this work, we revisit the problem through the lens of object detection on molecular graphs. Molecular fragmentation, a central step in MS/MS prediction, can be approximated as detecting a set of subgraphs (i.e., fragments) and their associated spectral contributions. Existing fragment-based models follow a two-stage paradigm -- first generating candidate fragments and then scoring them -- analogous to two-stage R-CNNs in computer vision. Towards higher accuracy and faster inference, we introduce GLACIER, a single-stage transformer-based fragment detection neural network for molecular graphs. This unified formulation eliminates the need for candidate enumeration, enabling scalable and globally consistent modeling of molecular fragmentation. GLACIER is faster and more accurate than existing state-of-the-art by a significant margin, achieving 70.0% and 69.7% Top-1 retrieval accuracy with and without contrastive finetuning on the MassSpecGym dataset (from the previous SOTA of 64.0%) and 52.5% and 38.5% respectively on the NIST'20 dataset (from 33.2%). Furthermore, GLACIER provides nearly 8-fold inference speedup over our prior two-stage model. Code is available at https://github.com/coleygroup/ms-pred
Authors: Arun Vignesh Malarkkan, Manan Roy Choudhury, Utkarsh Byahut, Yash Ravindra Charde, Vivek Gupta, Yanjie Fu
Abstract: Latent reasoning models perform multi-step inference directly in hidden-state space, yet the structure of these latent reasoning trajectories remains poorly understood. We show that contrastive refinement signals between stronger and weaker reasoning trajectories exhibit a highly concentrated low-rank structure, while unconstrained latent updates remain sensitive to paraphrases, checkpoint choice, and trajectory perturbations. These observations suggest that latent reasoning trajectories contain stable invariant directions mixed with unstable instance-specific variation. We introduce \textbf{Trajectory-Invariant Latent Refinement (TILR)}, a training-free intervention framework for identifying and manipulating stable reasoning directions in latent space. TILR first learns a low-rank invariant subspace from contrastive trajectory differences across inputs, then constrains latent interventions to this subspace while suppressing poorly aligned updates through an adaptive alignment gate. Across six reasoning benchmarks, we find that a small number of latent directions explain most variation between strong and weak reasoning trajectories. Interventions on these directions causally improve reasoning consistency and reduce trajectory instability under paraphrases and perturbations. TILR improves answer consistency under paraphrase by ~10% and reduces latent trajectory variance by up to $50\%$ while preserving reasoning accuracy. These results support a geometric view of latent reasoning in which transferable reasoning behavior emerges from stable low-dimensional structure within hidden-state trajectories.
Authors: Reza Habibi, Darian Lee, Magy Seif El-Nasr
Abstract: While existing data attribution methods can identify which training examples build specific mechanistic circuits, they cannot explain how training data shapes the high-level behavioral decisions a model learns to make. To bridge this gap, we introduce Symbolic Mechanistic Data Attribution (SMDA), a framework that attributes training pairs to the interpretable symbolic policies governing model behavior. SMDA fits a closed-form Ridge regression over sparse autoencoder (SAE) features to model a target behavior, then analytically decomposes how each supervised fine-tuning example shifts that policy through feature-activation Delta_X and output-probability Delta_Y pathways. We distill a symbolic policy for refusal behavior in Llama-3.2-3B-Instruct and analyze 200 SFT training pairs. Our analysis reveals that (1) the symbolic policy's coefficients expose systematic gaps in the base model's safety behavior for categories like religious stereotyping; (2) per-feature Delta_X/Delta_Y decomposition can mechanistically explain why harmful and harmless pairs exert qualitatively different influences on certain features; and (3) individual training pairs routinely exhibit cross-feature interference, allowing SMDA to identify training pairs whose dominant effect falls on unintended features. These results demonstrate that combining mechanistic interpretability with data attribution yields a diagnostic tool that is both more fine-grained than black-box influence functions and more scalable than manual circuit analysis.
Authors: Tejas Pradeep Shirodkar
Abstract: A deep network's loss is invariant to continuous symmetries of its parameters: the logit shift, the ReLU rescaling, the LayerNorm scale, the per-head attention rotation. Adam's per-coordinate preconditioner drifts along each symmetry orbit, which pulls the trajectory off the symmetry quotient where the optimization lives and blurs the singular-learning rate the quotient makes readable. We build DDC, a Dead-Direction Conditioner that lifts a base optimizer into a $G$-equivariant one: it conditions the optimizer's state in the orbit decomposition of a $G$-invariant metric, so the trajectory stays a preconditioned gradient flow on the quotient $\bar\Theta = \Theta/G$. The construction carries four architectural gauges (cross-entropy shift, ReLU and SwiGLU rescaling, LayerNorm and RMSNorm scale, and a per-head $O(d_{\rm head})$ attention rotation matched to RoPE), proves exactly equivariant on an Adam base, and composes with a Muon base through a gauge-equivariant orthogonaliser. Respecting the symmetry changes both the minimum the optimizer reaches and what it leaves measurable there. On a language model trained past the point of fit, DDCAdam resists the over-training collapse AdamW falls into, holding a validation-train loss gap of 0.67 against 5.88, and reads the dead-direction rate in 32 of 65 layer-by-observable cells where AdamW reads it in 7. A vision transformer trained from scratch reaches lower validation loss (1.71 against 2.12) while compressing spare feed-forward capacity a matched AdamW leaves intact. On a Muon base, where the rotation gauge composes exactly, DDCMuon groks ten of eleven seeds at depth 24 that a plain Muon never reaches. Built into the optimizer, a network's gauge symmetry sharpens the minimum it finds and turns that minimum's geometry into something the trajectory can measure.
Authors: Zhibin Duan, Yuhong Wang, Jiahong Fu, Zongsheng Yue, Bo Chen, Zongben Xu
Abstract: While Low-rank adaptation (LoRA) enables highly efficient fine-tuning by constraining task-specific updates to fixed low-rank subspaces, this rigid design limits representational flexibility and often results in overconfident predictions and miscalibrated uncertainty, especially in low-data regimes. Recent Bayesian LoRA variants improve uncertainty estimation by modeling posterior distributions over adaptation parameters. However, these approaches typically rely on fixed or heuristically determined ranks, overlooking the inherently context-dependent nature of adaptation capacity. In this paper, we propose BaRA, a Bayesian Adaptive Rank Allocation framework for parameter-efficient fine-tuning. Drawing inspiration from probabilistic topic models, BaRA dynamically allocates adaptation capacity by activating a sparse, context-dependent subset of disentangled latent factors, enabling instance-wise variation in effective rank. This Bayesian formulation provides principled, data-driven capacity control, mitigating over-parameterization while preserving expressiveness. Beyond the modeling contribution, we provide a complexity-theoretic generalization analysis showing that the generalization gap of BaRA depends on the learned joint effective rank $\bar{s}_{\Phi,\theta}$ induced by the global-local gate, rather than the maximum rank $r$. This result explains why sparse adaptive rank allocation can reduce the effective hypothesis complexity while preserving input-dependent expressiveness. Extensive experiments on diverse natural language benchmarks demonstrate that BaRA consistently improves predictive performance, robustness, and uncertainty calibration compared to standard LoRA and existing Bayesian LoRA variants.
Authors: Archit Manek
Abstract: Do language models know when they are being tested? This question matters for AI safety: a model that recognises an evaluation context could alter its behaviour strategically, making downstream benchmarks harder to interpret. Using 11 models spanning Qwen 2.5, Gemma 2, and Llama 3.2, we find a systematic size-dependent shift in representational depth: in both Qwen 2.5 and Gemma 2, the layer at which evaluation-awareness is most linearly recoverable moves from late layers in smaller models to early layers in larger ones. This suggests that scale changes not only the strength of evaluation-awareness but also where it is most linearly recoverable in the network. This depth shift helps explain why within-family scaling trajectories are non-monotonic or inverse rather than smooth and family-general, showing that a simple universal power-law account is not supported under denser within-family sampling. Finally, white-box probe signals are consistently stronger than black-box behavioural expression, and the relationship between the two varies by family in ways not predicted by probe AUROC alone.
Authors: Kunyu Zhang, Tianxiang Xu
Abstract: Multi-site functional MRI (fMRI) studies are essential for robust neuropsychiatric diagnosis yet suffer severe domain shifts from scanner heterogeneity, demographics, and site-specific acquisition protocols. Traditional domain adaptation requires concurrent source and target data access, violating clinical privacy regulations. Moreover, functional connectivity matrices lie on the Symmetric Positive Definite (SPD) manifold, where Euclidean operations cause geometric distortions corrupting diagnostic patterns. We propose BrainRiem, a source-free domain adaptation framework learning compact Riemannian brain prototypes via manifold-aware bi-level optimization. It employs the Log-Euclidean Metric to ensure prototypes remain valid SPD matrices, while Dirichlet Energy spectral calibration aligns their frequency characteristics with real brain networks. Only anonymized prototypes are transmitted to target sites, serving as stable anchors for training local models without source data access and reducing leakage under the evaluated attacks. Comprehensive experiments on ABIDE and REST-meta-MDD show BrainRiem consistently outperforms state-of-the-art source-free, traditional, and graph domain adaptation methods across diverse scanners and demographics. Notably, learned prototypes exhibit biologically interpretable connectivity patterns aligning with established neuroscience findings, validating the necessity of Riemannian geometry for brain network analysis.
Authors: Yuqi Huang, Yunlong Hou, Vincent Y. F. Tan
Abstract: We study the Bayesian fixed-budget best-arm identification problem in which a learner can abstain from making a terminal recommendation. Subject to an abstention budget $\alpha$, we analyze the probability of undetected error--the risk of recommending a suboptimal arm without abstaining. Our central finding is that abstention induces a phase transition: without abstention, the error probability decays polynomially in the sampling budget $T$; in contrast, introducing any small positive abstention budget shifts this to an exponential decay. For Gaussian priors and rewards, in the regime $T\to\infty$ followed by $\alpha\downarrow0$, we establish exact matching information-theoretic lower bounds and algorithmic upper bounds on the optimal error exponent, which takes the form $\exp(-\frac{\alpha^{2}T}{8\kappa_{\nu}^{2}})$. The hardness parameter $\kappa_{\nu}$ represents the prior density of the top-two gap at zero, highlighting that nearly tied instances drive the fundamental error. We introduce an adaptive algorithm, PGWS, that successfully achieves this optimal exponent by expending its abstention budget on statistically ambiguous instances. We further demonstrate that this polynomial-to-exponential improvement is exclusively a Bayesian phenomenon--in the frequentist setting, abstention only affects lower-order exponent terms. We also extend our results beyond the Gaussian model.
Authors: Yijie Jin, Jiajun Xu, Yuxuan Liu, Chenkai Xu, Yi Tu, Jiajun Li, Dandan Tu, Xiaohui Yan, Kai Yu, Pengfei Liu, Zhijie Deng
Abstract: Block Diffusion Language Models (BD-LMs) improve diffusion-based text generation with KV caching and flexible-length generation. A natural next step is to extend them from Single-Block Diffusion (SingleBD) to Multi-Block Diffusion (MultiBD), where a running-set of consecutive blocks is decoded concurrently for inter-block parallelism. However, existing BD-LMs are mostly trained under teacher forcing, where the model observes only one noisy block conditioned on a clean prefix. While the recent diffusion forcing strategy introduces visibility among multiple noisy blocks, its training states still differ from MultiBD inference, where decoding operates on a bounded running-set with heterogeneous slot-wise noise patterns. To bridge this gap, we propose Multi-Block Diffusion Language Models (MBD-LMs), obtained by post-training BD-LMs with Multi-block Teacher Forcing (MultiTF). MultiTF integrates teacher forcing and diffusion forcing by training on bounded noise-groups conditioned on clean prefixes, with randomized noise-schedulers that better match MultiBD inference states. To make MultiBD practically executable, we further introduce an optimized decoding algorithm based on the Block Buffer mechanism that preserves prefix-cache reuse, keeps input shapes static, and translates increased decoding parallelism into wall-clock acceleration. Empirically, MBD-LLaDA2-Mini increases average Tokens Per Forward pass (TPF) from 3.47 to 6.19 and improves average accuracy from 79.95% to 81.03%; when combined with DMax, MBD-LLaDA2-Mini-DMax reaches an average TPF of 9.34 with only a 1.02% accuracy drop on math and code benchmarks.
Authors: Yaohui Guo, X. Jessie Yang, Cong Shi
Abstract: We address the problem of online multi-human multi-robot teaming through the lens of a linear matching bandit framework, where a learner assigns robots with unknown features from a fixed pool to distinct sets of human agents over multiple rounds. To solve this problem, we propose LinMatch, an online learning algorithm that updates the confidence intervals of the unknown features and makes the optimistic matching under uncertainty. The contributions and novelty of this work are twofold. First, we recast the optimistic matching problem in each round as a linear program of maximum weighted matching, efficiently solvable by the celebrated Hungarian algorithm. Second, we provide novel bounds for matching with linear feature problems, showing an upper bound of $\tilde{O}(d\sqrt{MKT})$ and a minimax lower bound of $\Omega(d\sqrt{MKT})$, establishing a tight optimal regret rate of $\tilde{\Theta}(d\sqrt{MKT})$. This demonstrates that LinMatch achieves strictly optimal achievable regret with respect to the total number of rounds $T$, the feature dimension $d$, and the matching parameters $M$ and $K$. The proposed algorithm and bounds apply to a wide range of matching problems with applications beyond human-robot matching, such as housing allocation, recommendation systems, and more.
Authors: Weisi Yang, Zipeng Sun, Stephen Xia
Abstract: Autoregressive LLM decoding evaluates every generated token through the full layer stack, even though many tokens become predictable at intermediate depths. Existing lossless depth-adaptive methods exploit this redundancy by choosing a single non-final exit depth and verifying its prediction with the final-depth model. However, our measurements show that this selection-based strategy leaves substantial headroom: choosing an exit too late wastes computation, while choosing one too early triggers fallback and discards dependent drafts. We propose Depth Exploration Decoding (DEX), a lossless decoding algorithm that replaces single-depth selection with parallel exploration over multiple candidate depths. At each commit position, DEX validates candidates against the final-depth reference, commits exactly the final-depth token, and collapses the exploration lattice to retain only reusable branch states. This expand--commit--collapse procedure preserves equivalence to standard autoregressive decoding while reducing the cost of committing each token. Across early-exit-trained and standard LLMs, DEX outperforms representative depth-selection baselines and achieves competitive end-to-end throughput against speculative and distributed decoding methods. Moreover, DEX improves as the explored depths become finer, showing that parallel depth exploration provides a scalable way to exploit the underused depth axis of LLM decoding.
Authors: Amritansh Mishra, Supriyo Chakraborty, Berkcan Kapusuzoglu
Abstract: Group Relative Policy Optimization (GRPO) eliminates the learned critic in PPO by using the mean reward of grouped rollouts as a baseline. We provide a rigorous derivation of GRPO from first principles of the policy gradient theorem, revealing a fundamental credit assignment failure: under output-only reward, every token in a rollout receives identical advantage, collapsing token-level credit to a single scalar. We prove this induces gradient sparsity that intensifies over training, and demonstrate empirically via SVD analysis of GRPO gradients on Nemotron-4B/GSM8K that the gradient matrix has effective rank $\approx$ 2 regardless of group size $R \in \{2, 4, 8\}$. We formalize this as an intrinsic rank-2 structure arising from the zero-sum constraint on advantages and derive conditions under which GRPO's baseline is optimal. Our results characterize when GRPO's simplicity is theoretically justified and identify the credit assignment bottleneck as the key limitation for multi-step reasoning.
Authors: Honglin Gao, Junhao Ren, Lan Zhao, Yue Yang, Jindong Chang, Gaoxi Xiao
Abstract: Heterogeneous graph neural networks (HGNNs) have achieved strong performance in modeling complex graph-structured data with multiple node and relation types. However, their robustness under realistic black-box adversarial settings remains insufficiently explored. Existing attacks on HGNNs usually assume access to model gradients, soft prediction scores, or the complete graph structure, which is often unavailable when HGNN-based services are deployed as closed systems. In this paper, we propose Blackknife, a hard-label, query-limited, and structure-limited black-box evasion attack framework for heterogeneous graph neural networks. Blackknife assumes no access to the victim model architecture, parameters, gradients, logits, confidence scores, or the full graph structure. Instead, it only relies on locally observable one-hop heterogeneous structures and a small number of hard-label queries. To generate effective perturbations under these strict constraints, Blackknife first constructs a local relation-aware surrogate model from observable heterogeneous neighborhoods. It then relaxes discrete edge addition and deletion operations into continuous soft weights and optimizes them through projected gradient descent. Finally, the optimized perturbations are discretized into relation-preserving structural rewiring operations and verified using limited hard-label feedback from the victim model. Extensive experiments on three benchmark heterogeneous graph datasets, including ACM, DBLP, and IMDB, demonstrate that Blackknife consistently achieves strong attack success rates against representative HGNN models. The results further show that Blackknife remains effective under topology-based defense strategies, revealing the vulnerability of HGNNs to local structure-limited black-box attacks.
Authors: Zeynep T\"urkmen, K\"ur\c{s}at Kaya, Alexander Pfefferle, Frank Hutter
Abstract: Data-generating priors are a central component of tabular foundation models because they define the task distribution used during pretraining. However, priors are rarely evaluated as independent components, making it difficult to understand how much they affect downstream model behavior. This raises a methodological question: how can priors from different tabular foundation models be compared independently of the architectures and training protocols they were introduced with? To study this question, we implement a unified interface for publicly available priors from recent tabular foundation models and priors constructed from real datasets. We generate training tasks from each prior, train the same model architecture under a fixed training protocol, and evaluate the resulting models on shared downstream classification tasks. We compare priors through both generated-task statistics and downstream predictive performance. Our results show that different priors favor different downstream behaviors, with some achieving stronger absolute performance and others exhibiting more consistent relative rankings across datasets. We further find that data-level similarity only partially explains downstream behavior. Our code is available at https://github.com/automl/TFM-Playground/tree/prior-dev.
URLs: https://github.com/automl/TFM-Playground/tree/prior-dev.
Authors: Khan Raiyan Ibne Reza, Omar Ibne Shahid
Abstract: We present KrishokChat, the first citation-grounded Bengali agricultural instruction-tuning dataset for crop advisory in low-resource settings. We establish a foundation of 290 hierarchical Knowledge Nodes, extracting disease symptoms, management practices, chemical dosages, and verbatim citations from 129 domain-filtered agricultural manuals. Every training instance inherits a verified citation header, guaranteeing 100% citation provenance. Using a Partitioned Seed Generation Matrix, these nodes are expanded into 139,200 supervised fine-tuning pairs, and augmented with 5,300 chemical safety and 1,000 adversarial safety instances, yielding 145,500 QA pairs across 18 crop categories. To evaluate real-world performance, we introduce the Farmer Benchmark, comprising 1,001 authentic farmer queries curated from field surveys and digital portals. Empirical evaluation on Gemma-4-E2B reveals that while fine-tuning on KrishokChat vastly improves structured formatting, standalone models still struggle with exact chemical dosage generalization. This highlights the dataset's true value as a verified knowledge base for retrieval-augmented generation (RAG) rather than mere parametric memorization. All data, code, and benchmarks are released under CC-BY-4.0.
Authors: Ranuga Weerasekara, Heshan Nethmina, Manuja Ranathunga, Vinma Wettasinghe, Dinithi Navodya, Subavarshana Arumugam, Nirasha Munasinghe, Nisansa de Silva, Sandareka Wickramanayake
Abstract: Vegetable prices in Sri Lanka are highly volatile because the market is largely import-isolated, so supply disruptions quickly drive prices up. This study develops a machine learning framework to forecast such volatility by incorporating supply-chain-aware features and explicitly modelling the country's two cultivation seasons, Maha (October-April) and Yala (May-September). An integrated dataset was constructed by combining retail and farmer-gate prices with origin-aligned weather variables, diesel costs, and exchange rates across 12 vegetable varieties and 14 market centres from 2013 to 2019. A gradient-boosted ensemble model (XGBoost and LightGBM) was trained and optimised using Optuna, and unified and season-specific configurations were compared. Results show that season-specific models improve within-season fit, with the Yala-specific model achieving the highest R2 of 0.9420 (95% CI [0.690, 1.000]), while the unified model delivers the best overall predictive accuracy of 90.84% (95% CI [88.34%, 91.52%]) and an R2 of 0.9281 (95% CI [0.760, 1.000]). Notably, the unified model maintains 85.96% accuracy on a completely unseen 2024 hyperinflationary period without retraining, successfully tracking major price surges. These findings suggest that agricultural price movements in import-constrained markets are meaningfully predictable when models capture supply-chain dynamics, offering practical value for early warning and decision making by farmers, traders, and policymakers. Existing studies on Sri Lankan vegetable prices are confined to Autoregressive Integrated Moving Average (ARIMA) and Generalized Autoregressive Conditional Heteroskedasticity (GARCH) applied to single markets, with no supply-chain features, seasonal segmentation, or cross-regime validation.
Authors: Negin Golrezaei, Sourav Sahoo
Abstract: We study repeated bidding in multi-unit discriminatory (pay-as-bid) auctions for a single bidder with per-round utility equal to value minus $\alpha$ times payment, where $\alpha\in[0,1]$ is a cost-of-capital parameter. The bidder aims to maximize cumulative utility over $T$ rounds subject to a total budget $B$. The problem is challenging even without budgets: the action space is exponential in $M$, the maximum demand of the bidder and the valuation vector (context) varies over time. Exploiting a decomposition of utility across units, we develop polynomial-time learning algorithms based on shortest paths in a directed acyclic graph, obtaining sublinear regret under both full-information and bandit feedback. In the bandit setting, the regret is independent of the number of contexts due to complete cross-learning: observing the utility of the chosen action under the realized context reveals the utility for the same action under all counterfactual contexts. With budget constraints, when the average normalized per-round budget $\rho=\frac{B}{MT}<1$, we design a coupled primal-dual algorithm in which the DAG-based procedure uses dual-adjusted edge weights for primal updates, while online gradient descent updates the dual variable, yielding $\rho$-approximate sublinear regret. Finally, we give implementations whose per-round time and space are independent of the number of contexts, enabling scalability to large or even infinite context spaces.
Authors: Ivica Kopriva
Abstract: We derive the linear union-of-subspaces (UoS) model for subspace clustering (SC) from the nonlinear mixture model (NMM) used in blind source separation (BSS) to represent a D-dimensional observation vector as an unknown multivariate nonlinear mapping of C latent variables. Assuming the mapping is differentiable up to an unknown order K, we approximate NMM by a K-th order Taylor expansion, yielding a model equivalent to the linear UoS framework underlying SC. This establishes that: (i) the smoothness order K corresponds to the unknown subspace dimension d; (ii) KC equals the number of anchors; and (iii) the sparsity of the representation vector equals K (i.e., d). These relationships enable estimation of bounds on subspace dimension, and that is validated on six benchmark datasets using five established SC algorithms. Established theoretical results are important for post-processing of self-representation matrices estimated by SC algorithms.
Authors: Yihan Zhang, Zhiteng Zhang, Kun Chen, Chen Wang
Abstract: Technology computer-aided design (TCAD) semiconductor device simulation is fundamentally constrained by the high computational cost of iteratively solving coupled drift-diffusion equations. Existing ML surrogates either reduce internal physics to macroscopic scalar regressions, or rely on single-step mappings that lack the iterative refinement required to resolve stiff, coupled fields. To address this, we introduce PCGD, a Physics-Guided Conditional Graph Diffusion framework operating natively on unstructured TCAD meshes to predict coupled electrostatic and carrier density fields. PCGD employs a Condition-Aware MeshGraphNet denoiser that explicitly injects boundary conditions and device structure context via global cross-attention. By augmenting data-driven denoising with a physics-guided hybrid objective that integrates exponent-free quasi-Fermi gradient matching with noise-aware PDE residuals, PCGD progressively enforce physical constraints in the iterative diffusion trajectory. This strategy successfully bypasses the numerical instabilities typical of stiff drift-diffusion equations. Evaluated on a challenging mixed PN/MOS benchmark, PCGD significantly outperforms deterministic one-step regression (1.207% error) and local diffusion (1.585% error) baselines by achieving a sub-percent mean relative field error of 0.835%, while concurrently reducing maximum PDE residual errors by nearly three orders of magnitude compared to pure diffusion. It also transfers robustly to unseen SOI topologies (0.815% error) via LoRA adaptation, using 5.30$\times$ less data and 14.34$\times$ fewer parameters than full fine-tuning. Ultimately, PCGD bridges the computational efficiency of generative surrogates with the rigorous physical fidelity of traditional TCAD, unlocking highly scalable, field-level analysis for robust device engineering.
Authors: Gagan Jain
Abstract: Diffusion Language Models (DLMs) are typically trained under fixed context structures, restricting denoising to predetermined token subsets. This creates a mismatch between training and inference, where models must operate over arbitrary configurations, leading to degradation off the training grid. We propose Adaptive Block Diffusion (ABD), which resolves this mismatch by optimizing denoising risk over a distribution of prefix-window configurations. By treating the configuration as a stochastic variable, ABD trains a single model over the full configuration space without architectural changes. We show that generalization across decoding strategies is governed by the support of the training distribution, and that ABD guarantees denoising optimality for any inference policy whose configurations are covered during training. Empirically, ABD exhibits structural invariance across decoding scales, avoiding off-grid collapse and recovering a monotonic relationship between block size and perplexity, while matching or outperforming fixed-block specialists at their target scales.
Authors: Craig Atkinson
Abstract: We identify intervention bias as a previously unquantified failure mode of zero-shot large-language-model (LLM) educational advisory agents: without task-specific training, they recommend action when a hindsight-optimal oracle policy mandates inaction. In a six-arm ablation on the Open University Learning Analytics Dataset (N=800 students, four temporal cutoffs), at day 56 -- when the oracle designates 70.1% of students as needing no intervention -- zero-shot GPT-4o recommends action for 73%, a 43 percentage-point false-positive rate. Commercial RAG and SQL-augmented retrieval are comparably miscalibrated; at 10,000 students this implies about 4,300 unnecessary advisor contacts per cycle. Supervised policy learning eliminates this bias: a trajectory-conditioned ONNX Decision Transformer (DT) and a snapshot XGBoost classifier, trained on the same oracle-labelled trajectories under strict prefix-only features, both achieve near-zero calibration error. The DT reaches macro-F1 0.79 (macro-recall 0.85) across all five action classes, predicting even the rare load-reduction action without collapsing, at a 0% action flip rate and sub-5 ms CPU decision latency. The two supervised arms are on par; the DT's edge over XGBoost at the final cutoff is indicative only (unpaired across cohorts). Scope: we validate Stage-2 decision-making (EAV state vector to supervised policy) under controlled oracle input from structured OULAD data; high fidelity reflects feature-oracle alignment, not general high-stakes-AI capability. The most robust finding is the intervention-bias contrast, not the absolute accuracies. We also show an Evaluation Gap: LLM-as-judge scoring (DeepEval G-Eval) is blind to intervention bias, rewarding fluent over-prescription rather than decision quality.
Authors: Chen Wang, Peiran Yun, Pan Xie, Ke Deng
Abstract: Diffusion and continuous-flow generative models achieve high-quality generation, and their deterministic sampling can be formulated as solving learned ODE dynamics. However, accurate ODE discretization often requires many steps, making efficient few-step generation a key challenge. Among acceleration strategies, reflow-based distillation simplifies teacher ODE trajectories so that a student model can approximate the teacher transport with fewer steps. We identify a theoretical limitation of this paradigm, namely that trajectory matching can under-determine the distribution induced by the student model. In particular, two student models can attain the same trajectory-matching loss while inducing different endpoint marginal distributions, which may lead to different generation quality. To address this limitation, we introduce a marginal-alignment regularizer that penalizes the discrepancy between the student-induced marginal and the corresponding teacher marginal at the endpoint of each distillation interval. The regularizer is computed by tracking log-density changes along the ODE induced by the student model and evaluating scores from the frozen teacher model, without requiring auxiliary trainable networks or adversarial optimization. The resulting framework applies uniformly to the reflow family, including vanilla reflow and piecewise reflow. We further prove a telescoping total-variation bound showing that local marginal alignment controls the final-time discrepancy between the student-induced and teacher-induced distributions. Experiments on benchmark backbones demonstrate the effectiveness of the proposed method for few-step generation.
Authors: Yaron Kiselman, Kfir Y. Levy
Abstract: Collaborative learning is sustainable only when it benefits each participant. Standard federated learning optimizes a global average objective, which can under perform for clients whose data distributions differ substantially from the population. We study selfish personalization: how a designated target client can use peer gradients to minimize its own risk while avoiding negative transfer. We propose SP-CACW, a convergence-aware client-weighting framework that selects aggregation weights by minimizing an upper bound on the target client's convergence error. The resulting rule explicitly trades off peer bias against stochastic variance and can assign zero weight to harmful peers. We provide convergence guarantees under smoothness and bounded-variance assumptions and evaluate the method on MNIST, CIFAR-100, and LEAF Shakespeare, where it is competitive with or improves over strong personalized and clustering baselines.
Authors: Xiang Shi, Yifei Zhang, Peng Hu
Abstract: Low-Earth orbit (LEO) satellite Internet has become an indispensable infrastructure that provide growing coverage for global users. Despite extensive measurement efforts, the principles underlying region-level performance characteristics remain insufficiently understood, limiting the ability to identify region-specific latency signatures under dynamic network conditions. In this paper, we formulate the problem of region-level latency characterization using Starlink round-trip time (RTT) measurements from the public LENS dataset. We then propose a hierarchical analytical framework that transforms raw RTT sequences into multi-scale statistical features for cross-region comparison. Using data from five geographically representative regions, we demonstrate that latency differences are strongly associated with deployment factors, particularly infrastructure availability and Starlink dish-to-Point-of-Presence distance. Mutual information analysis identifies minimum RTT as the most discriminative feature, which is further supported by XGBoost-based feature importance. The proposed model well achieves 83% accuracy on short-term data. However, its performance degrades over longer periods, indicating limited temporal generalization and motivating the need for adaptive models and feature representations for long-term performance in the future.
Authors: \c{S}uayp Talha Kocabay, Talha R\"uzgar Akku\c{s}, Kerem Yal\c{c}{\i}n
Abstract: Scientific discovery via symbolic regression is often viewed as statistically and computationally intractable because the hypothesis space of expressions grows combinatorially with depth. This paper revisits the statistical side through the lens of PAC learning, focusing on compositional function trees built from a finite vocabulary of smooth operators (e.g., $\{+,\times,\sin,\exp\}$ and affine maps). We prove that the relevant generalization quantity, Rademacher complexity, hence the excess risk, does not necessarily blow up exponentially with the number of distinct symbolic structures, but is controlled by (i) the depth $d$ and (ii) the Lipschitz constants of the base operators along the composed computation graph. Concretely, under mild Lipschitz conditions on operators and bounded affine leaves, a finite-union bound over a vocabulary of size $K=|\mathcal{H}_{\mathrm{base}}|$ together with Maurer-type vector contraction yields $\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{d}) \leq (Kb\sqrt{2}L)^{d-1}\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{1})$ with arity bound $b$; corresponding high-probability risk bounds scale as $\mathcal{O}(L^{d}/\sqrt{n})$ when $K,b=O(1)$ and $\mathfrak{R}_n(\mathcal{H}_{\mathrm{comp}}^{1})=O(n^{-1/2})$. We complement the theory with a modular codebase that trains differentiable operator trees (not MLPs) on synthetic "physics-like" targets of controlled depth and shows that the empirical generalization gap correlates positively with the predicted complexity term $(\widehat{L}^{d})/\sqrt{n}$.
Authors: Chuxiao Zuo, Yao Zhu, Minqiang Xu, Manhong Wang, Yunke Zhang, Fei Huang
Abstract: Multimodal speaker identification systems face two key challenges in real-world deployment: missing modalities and language mismatch between training and testing conditions. In practical scenarios, background multi-speaker conversations, ambient noise, and overlapping speech further degrade identification accuracy. To address these challenges, we propose a multimodal polyglot speaker identification system for the POLY-SIM 2026 Grand Challenge. The system is fundamentally built upon Adaptive Modality Routing(AMR), a modality fusion module that dynamically assesses per-sample input quality and integrates modality information. Specifically, AMR employs two modality adapters to process the embeddings extracted from a linguistically robust audio encoder(W2V-BERT 2.0) and a large-scale pretrained face encoder(IResNet-18), producing modality-adapted embeddings. Based on these adapted embeddings, a trainable router estimates dynamic modality weights, which are subsequently applied to aggregate the modality-specific logits for the final prediction. To optimize this routing mechanism, we adopt a modality-aware training strategy that constructs four types of sample pairs to simulate diverse input conditions, with KL divergence serving as explicit supervision for weight assignment. Experimental results on the POLY-SIM 2026 evaluation set show that the proposed system achieves identification accuracy of 99.93%(English multimodal, P3), 100.00%(Urdu multimodal, P5), 97.50%(English audio-only, P4), and 98.83%(Urdu audio-only, P6). The average accuracy across all four protocols is 99.07%, surpassing the Fusion and Orthogonal Projection(FOP) baseline by 32.73%.
Authors: Nick Oh, Helen Jin
Abstract: Post-hoc explanation methods are routinely used to interpret scientific machine learning models, with the deliverable understood to be insight into the phenomenon the model has been trained on. The transition may be taken to be secured once the model is reliable enough and the explanation faithful enough. We argue it is not. Reliability checks that the model's predictions match the phenomenon's outcomes, and faithfulness checks that the explanation matches the model, but neither checks whether the model works as the phenomenon works, which is what a claim about structure requires. The chain can support candidate hypotheses under external corroboration, but it cannot, on its own, support claims about how the phenomenon is in fact structured.
Authors: Dishan Sarkar
Abstract: Adaptive Financial Transformer (AFT) is proposed for stock return prediction under non-stationary financial markets. The model incorporates a Market Regime Encoder, an Adaptive Gate Network, and an Adaptive Financial Context module to dynamically bias self-attention based on semantic relationships between financial indicators. Unlike conventional Transformer architectures that treat all input features uniformly, the proposed approach groups 95 engineered financial features into 11 semantic categories and adapts attention according to latent market regimes. The study also identifies and corrects sequence alignment and backtesting issues that can inflate reported trading performance, and introduces a financially-aware composite objective that jointly optimizes prediction error, directional accuracy, and non-overlapping Sharpe ratio. Extensive experiments compare the proposed architecture against classical machine learning models, recurrent neural networks, and Transformer baselines using chronological evaluation, five random seeds, ablation studies, hyperparameter optimization, explainability analysis, and multi-stock validation. Results demonstrate competitive predictive performance while reducing model complexity by 15.2% and improving parameter efficiency through feature selection, providing an interpretable Transformer architecture for financial time-series forecasting.
Authors: Amirreza Dolatpour Fathkouhi, Justin Lee, Heman Shakeri
Abstract: Predicting a patient's physiological trajectory under a planned treatment sequence is a prospective interventional problem, not standard time-series extrapolation. We study this problem in glucose management, where insulin and carbohydrate records are policy-dependent: future drivers are coupled to patient state, behavior, and clinical decision rules, so observational forecasting accuracy alone does not guarantee correct responses to planned interventions. We introduce Interventional Flow Matching (IFM), a continuous-time generative framework for physiologically constrained prospective forecasting. IFM conditions a flow-matching velocity field on patient history and planned future drivers in a bounded latent glucose space. Rather than embedding strict mechanistic glucose--insulin ODE equations or enforcing causality through rollout-based simulations, IFM uses a solver-free regularization: it penalizes the Jacobian of the instantaneous velocity field with respect to smoothed treatment drivers. This imposes signed, dose-bounded local sensitivities directly on the learned dynamics: insulin lowers glucose, carbohydrates raise it, and both responses remain within plausible ranges. On a simulated UVA/Padova type 1 diabetes cohort, IFM achieves the strongest balance between observed-driver RMSE and interventional response metrics. Across experiments, it consistently produces physiologically correct responses to both insulin and carbohydrate drivers while maintaining high directional, and ranking consistency.
Authors: Xin Wei, Huakun Liu, Felix Dollack, Monica Perusquia-Hernandez
Abstract: The importance of gesture recognition has been acknowledged in many domains requiring real-time recognition systems. Two requirements for these are fast recognition in multiuser contexts. Therefore, we explored the temporal characteristics of electromyography (EMG) and its accuracy in recognizing gestures in a Rock-Paper-Scissors (RPS) game. Twenty-four participants played RPS in dyads, while a two-channel EMG was recorded from the forearm. We found out that EMG onsets could be detected at least 800 ms before the gesture's visible onset, and that the EMG peaks around 342 ms before the visible onset of the gesture. Furthermore, we evaluated self-gesture recognition in both posed and spontaneous gesture conditions. The mean accuracy for posed gestures reached 63.4%. The model trained on posed gestures achieved 53.6% for spontaneous gestures, with considerable variation across individuals. We also checked whether detecting a player's gesture from the opponent's EMG was possible. The peak mean accuracy was 65%, peaking at 2082 ms after the visual onset of the gesture. This suggests that the opponent's reaction to an observed gesture contains information about the observed gesture due to the dynamics of the interactions while playing. The temporal predictive advantage of EMG signals, where muscle activation precedes observable movement, offers potential benefits for applications requiring rapid intent recognition, such as human-computer interaction and assistive technologies. Future work should focus on refining onset detection and reducing the impact of spontaneous movement variability across conditions to improve recognition performance in dynamic and real-world environments.
Authors: Zirui Deng, Jingbo Sun, Deyu Meng, Fei Wang
Abstract: Repeatedly solving parametric PDEs is essential for uncertainty quantification, design optimization and inverse problems, but conventional neural operators require expensive non-convex training. We introduce PCA--RaNN, a randomized latent neural operator that combines PCA-based dimensionality reduction with fixed random features and a closed-form least-squares readout. It recasts latent operator learning as fixed-feature linear regression, reducing training time by one to three orders of magnitude across benchmarks while maintaining competitive accuracy. We introduce an energy-matched scaling rule and a lightweight two-parameter BFGS refinement to correct suboptimal feature scales. Ensemble averaging reduces predictive variance. On Burgers, Darcy, Navier--Stokes and backward heat equation benchmarks, PCA--RaNN provides a favorable speed--accuracy trade-off against operator-learning baselines. The ensemble supports split-conformal prediction intervals, and the linear readout enables rapid online adaptation via recursive least squares without retraining hidden features. This provides an efficient, uncertainty-aware surrogate for many-query scientific workflows.
Authors: Kyungmin Nam, Seunghee Han, Jihan Kim
Abstract: Inverse design of metal-organic frameworks (MOFs) requires searching a combinatorially vast space where property labels are expensive and most machine-learning models reveal little about why a structure succeeds. We introduce LLM4MOF, a closed-loop framework in which language-model agents reason about chemistry, build candidate MOFs, and test them in simulation, refining hypotheses over ten autonomous iterations. One agent proposes interpretable design hypotheses over metal nodes, linkers, pore geometry, and functional chemistry, and a second translates them into constraints that select candidate MOFs, each made of a metal node, organic linker, and matching topology. Each hypothesis is tested through four diagnostic beams that apply different subsets of its constraints, so comparing them shows whether geometry, chemistry, or metal choice drives performance. Even when blind to the global property landscape of databases, LLM4MOF concentrates its search on top-performing structures across six adsorption, separation, and electronic-structure tasks within 400 property evaluations. The same loop also generates new MOFs de novo and validates them in live simulation, where it adapts the geometry to each requested condition, outperforming random search and a genetic algorithm at roughly $1 per campaign. LLM4MOF shows that language-model agents can run interpretable, simulation-grounded inverse design without training a model per objective.
Authors: Weizhi Nie, Hui Wang, Weijie Wang, Yuting Su
Abstract: Class-incremental learning requires a model to learn new classes while preserving decision regions for old ones. This is difficult when raw old samples are no longer available. We propose Prototype Latent World Model Replay, a memory-free framework that stores old classes as distributions over stable hidden states rather than as images. A frozen ImageNet-pretrained encoder maps each image into a latent state space. In this space, each class is summarized by several prototype-centered distributions with class-specific variances. When new classes arrive, the model samples old latent states from this prototype world model. It then trains a lightweight adapter and classifier using both sampled old states and real new-class features. We also add a supervised contrastive term in the adapter space to promote intra-class compactness and old-new class separation. On Split CIFAR-100, our method improves over fine-tuning under Inc5, Inc10, and Inc20 without storing raw exemplars. The full Ours-LWM+Con model raises LastAcc from 4.55% to 31.64%, from 9.06% to 37.06%, and from 16.96% to 43.10% in Inc5, Inc10, and Inc20, respectively. It also achieves AvgAcc of 45.86%, 52.19%, and 56.18%. Ablation and retention analyses show that stable latent-state replay is the main source of the gain. Contrastive separation further refines the old-new geometry. These results suggest that prototype latent memory preserves reusable class-state distributions, rather than only fitting the current classifier.
Authors: M. Rejmund (GANIL, CEA/DRF - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076, Caen Cedex 5, France), A. Lemasson (GANIL, CEA/DRF - CNRS/IN2P3, Bd Henri Becquerel, BP 55027, F-14076, Caen Cedex 5, France)
Abstract: Calibration remains one of the principal obstacles to the deployment of machine learning in scientific instrumentation because it typically relies on expert intervention, dedicated procedures, and manually labelled data. We introduce a physics-informed self-supervised framework that jointly learns latent detector calibration parameters and task-specific predictions directly from raw measurements without requiring pre-calibrated signals or external labels. The method exploits known physical constraints to generate pseudo-labels iteratively, transforming calibration into a self-supervised optimization problem. The approach is demonstrated for ionic charge-state determination in the VAMOS++ magnetic spectrometer, where the calibration of a segmented ionization chamber and the inference of ionic charge states are learned simultaneously. Starting from a weak prior on the mean ionic charge state, the model progressively refines its predictions through iterative fractional pseudo-labelling driven by the discrete nature of atomic masses. Beyond accurate ionic charge-state reconstruction, the inferred calibration coefficients provide a compact representation of the detector state that enables automated monitoring of gain drifts, pressure variations, and detector aging. The resulting labels can subsequently be transferred to specialized models that quantify detector imperfections and track their spatial and temporal evolution. These results establish a general paradigm for self-calibrating and self-monitoring scientific instruments and represent a step toward intelligent experimental systems capable of autonomous calibration, analysis, and performance optimization.
Authors: Soumyadip Sarkar
Abstract: Strictly proper scoring rules identify the true conditional class distribution at population level, but their curvature can alter optimization and finite-sample behavior. We study three multiclass objectives: a class-aware quadratic Bregman score (CAPM), a strongly convex generator with constrained log-cosh ridges (HPG), and an HPG objective with an annealed probability-margin penalty (APMS). CAPM is treated as a structured instance of established quadratic scoring-rule theory. We derive conditional-regret, curvature, range, and logit-gradient bounds for CAPM and HPG, and prove exact penalty-range and conditional-target displacement bounds for APMS. Controlled five-seed experiments use Digits, Wisconsin breast cancer, and synthetic confusion and long-tail problems under clean labels, symmetric and pair-flip corruption, class imbalance, calibration evaluation, input corruption, and first-order adversarial perturbations. The candidates are close to cross-entropy on clean data and show descriptive gains in some noisy-label cells, but the five-seed comparisons are interpreted descriptively rather than as significance evidence. The selected noisy-label baselines perform better on Digits with 40% symmetric label noise, and explicit prior-adjustment methods perform better in the 30:1 synthetic long-tail experiment. Ablations do not show a consistent benefit from the candidate-specific graph, ridge, or margin components. The mathematical analysis establishes the stated properties, and the experiments delimit the empirical evidence; together they do not support a claim of general superiority.
Authors: Zibin Meng, Kani Chen
Abstract: Self-distilled agentic reinforcement learning augments trajectory-level reward with a token-level distillation loss, using as its teacher the same policy conditioned on privileged context. The prevailing recipe gates this loss by a single scalar, the teacher-student log-probability gap. This signal is doubly limited: it is retrospective, scoring only the realised rollout and never the counterfactual ones, and it is sign-blind, never signalling when a teacher-preferred action would have harmed the trajectory. We introduce CRAFT, a three-pillar credit-assignment scheme that addresses both limitations. Pillar 1, Counterfactual Token Importance, reuses the G-1 sibling rollouts that GRPO already samples and importance-weights them by the log-probability gap to form a self-normalised estimate of the group-level counterfactual change in advantage from up-weighting teacher-preferred actions at each step; this yields a signed per-token credit at near-zero extra compute. Pillar 2 is an asymmetric controller that raises the distillation weight as it lowers the reference-KL weight along an exponential moving average of gate activity, and conversely. Pillar 3 polarises the KL penalty token by token, switching between a mode-seeking and a mode-covering update according to the sign of the credit. Each pillar has an independent switch that, when disabled, renders the loss and gradient byte-identical to the baseline in IEEE-754 arithmetic, so any measured gain is attributable to algorithmic change rather than implementation drift. We prove the estimator's consistency and a variance bound, give structural and bit-exact reproducibility guarantees, and evaluate CRAFT across three agentic environments, four model scales, and five end-to-end methods, plus two tabulated prior-work baselines. Among these is Adaptive-CRINGE, a comparator sharing Pillar 2 with CRAFT, isolating the counterfactual contribution.
Authors: Dharshan Kumaran
Abstract: Confidence is an estimate of the probability that a chosen answer is correct. Verbal confidence reports are widely used as uncertainty measures in large language models, but whether they are best understood as estimates of correctness is unclear. We test this with a two-stage abstention paradigm from the neuroscience of perceptual decision making: a model first answers and reports its confidence, then decides whether to commit it to a user or abstain. Across four non-reasoning models, prompt framings, and confidence formats, verbal confidence predicted the commit/abstain decision substantially better than whether the answer was correct. Calibrated token log-probabilities showed the opposite profile, with abstention-prediction coupled to correctness discrimination, the signature of an answer-evidence signal. After removing the variance verbal confidence shared with log-probabilities, the residual stayed aligned with commitment while its link to correctness fell to near chance. The dissociation generalised to four reasoning models across four benchmarks of varying difficulty, from hard multiple-choice to frontier-level freeform questions. Mechanistic analyses in Gemma 3 and 4 were convergent: a post-answer state known to causally support verbal-confidence generation already encoded the future abstention decision before the abstention prompt, organised mainly by that decision rather than by correctness, the two lying in approximately orthogonal directions in activation space. Steering along a verbal-confidence-specific direction causally shifted abstention. Verbal and log-probability confidence are thus not interchangeable: log-probabilities track answer evidence and correctness, whereas verbal confidence is better understood as a behaviour-facing readout of an internal commit-readiness state, challenging the practice of treating verbal reports as proxies for reliability.
Authors: Jesse Ponnock, Lucas Ho
Abstract: World 1-1 of Super Mario Bros is widely celebrated as a masterclass in game design: its progressive structure is credited with teaching players core mechanics through the level itself. We ask whether that structure is empirically measurable using reinforcement learning. We implement World 1-1 from scratch as a fully discrete environment and compare four algorithms -- Q-Learning, SARSA, Monte Carlo, and Deep Q-Network (DQN) -- across three progressively complex versions of the same level. Monte Carlo emerges as the strongest agent (94.9% $\pm$ 1.5% win rate), outperforming DQN (76.4% $\pm$ 3.4%) by learning to maximize intermediate rewards along winning paths rather than taking the most direct route. We then use Monte Carlo in a curriculum experiment permuting World 1-1's six canonical segments across twelve conditions. Canonical ordering converges fastest, achieves the highest learning efficiency, and is the only condition with zero catastrophic failures; no random permutation matches all three criteria simultaneously. These results provide, to the best of our knowledge, the first empirical validation that World 1-1's canonical design encodes genuine pedagogical structure: one that measurably accelerates learning and cannot be replicated by chance.
Authors: Nolan Alexander, Henning Mortveit
Abstract: A central challenge in statistical modeling is identifying the subset of features that belong in the true regression model. The classical best subset selection problem, recently made tractable via mixed-integer optimization (MIO), finds the globally optimal sparse solution. It does not, however, make use of any information beyond the observed data. In many applied settings, domain experts can meaningfully rank or score the relevance of candidate predictors, yet no existing framework integrates such probabilistic expert assessments directly into the best-subsets objective. This paper presents Expert-Implied Bayesian Best Subsets (EBBS), a method that incorporates domain-expert probability estimates of feature relevance into the MIO best-subsets problem through a maximum a posteriori (MAP) framework. Expert views from multiple respondents are aggregated into a single prior probability per feature using the Poisson binomial distribution for marginal probability estimates, the pairwise win rate for pairwise comparisons, or the normalized mean rank for ordinal rankings. This probability enters the objective function as a log-odds penalty term that smoothly encourages or discourages the selection of each feature consistent with the expert consensus. This paper provides analytic derivations of the MAP formulation and characterizes its theoretical properties. The proposed model reduces to Best Subsets when experts all have no views. Empirical results on synthetic and real datasets are forthcoming.
Authors: Lorenzo Livi
Abstract: Long-range learning is hard for recurrent networks trained with stochastic gradient descent, because the influence of a past input fades with the lag $\ell$, and if it fades too fast the dependence cannot be learned from finite data. This fade is captured by an envelope $f(\ell)$. An exponential fade makes the data needed to learn a lag-$\ell$ dependence grow exponentially, putting long horizons out of reach; a power-law fade keeps the cost polynomial. We show that the asymptotic decay class of $f(\ell)$ is not fixed by the architecture. Instead, it emerges from the coupling between the state dynamics and parameter dynamics, settling into either a collapsed regime (fast, exponential forgetting) or an extended, anti-collapsed regime (slow, power-law forgetting). The intuition is a competition within these coupled dynamics. Training drives the network's effective time scales toward short ones, while rare, heavy-tailed fluctuations of the learning dynamics push a few of them to very long values. The extended regime survives only when these heavy-tailed pushes are strong enough to balance the pull. We make this mathematically precise with a coarse-grained stochastic process and prove exactly when the extended regime exists. A single exponent, the spectral exponent~$\beta$, then governs both the spread of time scales and how slowly the network forgets. Realizing the regime in practice needs one more ingredient: the joint action of the architecture and the optimizer must be able to hold such a broad spread. A network whose capacity to generate broad time-scale spectra is severely constrained still collapses, even when supplied with strong heavy-tailed forcing. Heavy-tailed fluctuations thus act not as noise to be suppressed, but as the mechanism that sustains long-range learning.
Authors: Dara Varam, Mohamed I. Alhajri
Abstract: Deep learning problems rarely involve objectives that are equal in importance. A primary objective defines the goal, whilst secondary objectives, such as sparsity, compression, or robustness constrain the solution. While existing multi-objective methods have proven effective in practice, they have a clear symmetry problem and neglect the inherent objective hierarchy built into these objective spaces. We introduce Priority-Constrained Descent (PCD), a gradient-based optimization framework designed to explicitly exploit hierarchical objective structures. PCD preserves the direction of primary descent whilst allowing for the minimal distortion necessary to guarantee progress on secondary objectives, controlled by a single $\tau \in [0, 1]$ that dictates the strength of the distortion. The resulting formulation is invariant to objective scaling and admits exact closed-form solutions for problems with two and three objectives. We evaluate PCD within structured network compression settings, unstructured sparsity and low-rankness, and across a variety of synthetic experiments, showing Pareto dominance and better per-objective performance with secondary progress guarantees over existing methods, further exhibiting the interpretable trade-off that $\tau$ provides.
Authors: Benjamin Shih, John Winnicki, Eric Darve
Abstract: A central hope behind process supervision is that models can expose intermediate variables that matter for their later behavior. For this to help with alignment, a scratchpad must be tied to the computation: when the model writes a state, later steps should compute from that state. To test this requirement, we use a controlled state-tracking task with a known update rule, comparing models trained to report only the final state with models trained to write intermediate states before giving the final answer. At evaluation, we edit the internal representation of one written state while leaving the visible scratchpad text fixed. Because the transition rule is known, the edit has a single correct downstream consequence. In Qwen2.5-Coder-7B, the state-writing model predicts the next phase bit implied by the edited state on 80% and 91% of held-out examples across the two task variants, while pretrained and final-answer-only controls remain near baseline. Additional controls rule out generic next-token steering and copying another continuation: the prediction depends on both the edited state and the current move. The same causal-use pattern replicates across model families. Together, these results suggest a sharper goal for scratchpad oversight: not just to make intermediate reasoning legible, but to train written states that the model uses as part of its computation.
Authors: Jing Liang, Hongyao Tang, Yi Ma, Yancheng He, Weixun Wang, Xiaoyang Li, Ju Huang, Wenbo Su, Jinyi Liu, Yan Zheng, Jianye Hao, Bo Zheng
Abstract: Reinforcement learning (RL) has gained growing attention in large language model (LLM) post-training, yet RL training remains fragile and can suffer from instability or collapse. One vital cause is training-inference mismatch: LLM adopts separate inference and training engines for generation efficiency and training precision, which in practice exhibits inconsistent probabilities for the same trajectories on training and inference sides, even with synchronized model parameters. This naturally induces a special type of off-policyness ever existing and poisoning the training. Prior works have made various efforts in addressing the off-policyness to stabilize the training policies under the mismatch. In this paper, we point out the objective misalignment neglected by existing works that an effective update to the policy in the training engine not necessarily ensures the improvement of the inference policy, i.e., the one used in deployment. To this end, we propose a new policy optimization objective for LLM RL, named Monotonic Inference Policy Improvement (MIPI). Following this principle, we introduce Monotonic Inference Policy Update (MIPU), a two-step LLM RL framework that constructs sampler-referenced candidate updates and selectively accepts synchronized candidates using an inference-side gap proxy. Experiments conducted on two model scales under high mismatch show that MIPU improves average reasoning performance and training stability.
Authors: Chuheng Wei, Ziye Qin, Ziran Wang, Guoyuan Wu
Abstract: Driver decision making in the dilemma zone at signalized intersections is safety critical, as vehicles approaching a yellow signal must decide whether to stop or proceed within limited time and distance margins. Accurate prediction of both stop-go decisions and decision timing is important for adaptive signal control, advanced driver assistance systems, and human-centered intelligent transportation applications. However, dilemma zone behavior is strongly driver dependent. Similar approach trajectories may lead to different decisions across drivers because of differences in risk preference, braking habit, and decision threshold. Existing personalized models often rely on handcrafted scalar descriptors, which provide useful but limited summaries of individual behavior. This paper proposes VISTA-DZ, a semantic-profile-conditioned framework for personalized stop-go and decision-time prediction. Historical trajectories are converted into visual representations, interpreted by a vision-language model to generate behavioral profiles, and encoded as semantic embeddings to condition a dual-output prediction network. The final model combines a bidirectional GRU encoder, driver-conditioned multi-head cross-attention, and Feature-wise Linear Modulation for temporal evidence selection and feature adaptation. Experiments on the SDZ dataset and a newly collected FDZ dataset show that VISTA-DZ outperforms trajectory-only and handcrafted personalization baselines, achieving 93.26% in-domain simulation accuracy and 90.22% mean accuracy across 20 held-out simulation drivers. Cross-domain results further show feasible zero-shot simulation-to-real transfer and better real-world generalization when simulation data are combined with limited field data.
Authors: John Sweeney
Abstract: Shuffle order can be a larger source of fine-tuning noise than a memoryless analysis predicts: fixed-clock optimizer memory makes local equal-multiset contrasts first order in the learning rate rather than second order, and the resulting order channel can be large enough for a single seed to flip a close A/B comparison. We isolate this mechanism and derive a fit-free way to size the noise it produces. For a memoryless optimizer, reordering an equal multiset has no first-order endpoint term; the leading local contrast is the $O(\eta^2)$ gradient bracket. Fixed-clock optimizers such as AdamW are different. Their moment buffers, preconditioner state, and de-biasing counters advance with the step index rather than with the learning-rate-scaled time $\tau=\eta k$, so the same gradient can receive a position-dependent endpoint weight. For any fixed finite measurement window, a lifted-state expansion gives an $O(\eta)$ equal-multiset contrast whenever the first-order replay coefficient is nonzero, while regular and clock-matched controls remain $O(\eta^2)$; a bare fixed-$\beta$ momentum buffer is already enough. A bitwise-deterministic replay from one warmed optimizer state isolates the mechanism, giving order-variance slopes 1.83 for AdamW, 2.00 for fixed-$\beta$ momentum, and 4.00 for SGD; matching the memory clock to $\tau$ restores the regular exponent. For AdamW with a frozen preconditioner, the same impulse-weight kernel gives a closed-form asymptotic order-variance floor after the local potentials are measured, with no fitted coefficients. The result is local to the measurement window (independent reshuffling can average the channel across windows), but it yields order-noise error bars, positional attribution weights, and a seed-budget criterion for fine-tuning comparisons.
Authors: Salavat Ishbulatov
Abstract: We propose Persona-Trained Monte Carlo (PTMC), a method for estimating distributions of market-outcome statistics by repeatedly simulating limit-order-book interaction among swarms of persona-conditioned neural-policy trading bots. Each run instantiates many bots sharing one trained policy network but conditioned on heterogeneous, individually sampled persona parameters drawn from a learned trader-heterogeneity distribution; the bots interact in a continuous double auction, and the resulting price path is one Monte Carlo sample. Repeating this over independent persona-population draws yields an ensemble from which a target market statistic is estimated. Randomness enters through persona draws, within-run action sampling, and optional exogenous shocks, not solely through price as in classical Monte Carlo. We distinguish PTMC from adjacent paradigms, including classical Monte Carlo, hand-coded agent-based models, single-agent reinforcement learning, and large-language-model-based generative agents. To justify the design, we survey cross-disciplinary foundations -- agent-based computational economics, market microstructure, behavioral finance, deep reinforcement learning, generative/LLM-based agents, news-driven trading, systemic risk, econophysics, and game theory -- connecting each literature to a specific design choice in the policy network, training data, or validation protocol. We formalize the PTMC estimator and its convergence properties, specify a candidate bot architecture and training objective, and propose a four-level validation methodology: stylized-fact matching, microstructure- and agent-level checks, and historical stress-test comparison against a zero-intelligence baseline. The framework is proposed but not implemented: we contribute a formal estimator, a cross-disciplinary design justification, and a validation roadmap, and conclude with open research questions.
Authors: Victor Norgren
Abstract: A stateless inference server (vLLM, SGLang, TensorRT-LLM) idles between requests while the accelerator waits; a stateful session reclaims that idle time. Speculative pre-positioning decodes the session forward to its next decision point with the target model's own forward pass and no draft model, moving the cross-request prefill and entry-decode off the critical path: the next request resumes from a pre-paid entry on its delta, or, when a confidence gate fires, is answered from a cached distribution in one near-constant vocabulary scan with no decode, at a cost only of energy and a rare, bounded false accept. The payoff is conditional on capability: a capable model fires the gate at near-full coverage and about 87% precision (a smaller one never clears it), returning the first token in about 1.0 ms versus the 39 ms decode a prefix cache still pays.
Authors: Hari Prasad, Ritam Pal
Abstract: Modern LLM deployments routinely compress models and raise sampling temperature to reduce cost, latency, or repetition, yet safety evaluations usually treat these choices as fixed implementation details. This leaves a practical uncertainty: does a model that is safe at FP16 and greedy decoding remain safe after it is quantized and sampled stochastically, or do the two deployment knobs amplify one another? We study this question with a factorial evaluation of 9 instruction-tuned models from six families, 3 precisions (FP16, GPTQ INT8, AWQ INT4), and 6 temperatures ($T{=}0$ to $1.0$), yielding 161 configurations and $\approx$322k responses judged by a six-model safety ensemble. Contrary to the concern that low-bit deployment broadly erodes alignment, standard non-adversarial quantization is usually safety-neutral: INT4 keeps or lowers attack success for 7 of 9 models, with clear degradation concentrated in the weakest baseline model, SmolLM3-3B ($18.5\%{\to}36.0\%$). The larger risk comes from sampling: higher temperature sharply increases decision instability for vulnerable models, with DFR reaching 53.0\% at $T{=}1.0$, even when average ASR changes modestly. Finally, the interaction is not a ``double penalty'': our Compound Degradation Index remains largely sub-additive ($-0.195$ to $+0.045$), indicating that quantization and temperature do not systematically compound. These results suggest a deployment rule of thumb: standard INT4/INT8 quantization can be reasonable for strongly aligned models, but safety claims at elevated temperature should report multi-sample stability, not only average attack success.
Authors: Abhishek Shukla, Ankur Sinha, Faiz Hamid
Abstract: Bilevel optimization has become an influential and widely adopted framework for addressing hierarchical optimization problems in machine learning, providing an effective approach to modeling the interaction between two levels of optimization, with applications such as hyperparameter tuning, meta-learning, adversarial training, and data poisoning. Neural Architecture Search (NAS), a subfield of hyperparameter optimization, is a prime example of a bilevel optimization problem, with architecture parameters optimized at the outer-level and network weights optimized at the inner level. This paper presents a structured overview of NAS through the lens of bilevel optimization. We categorize existing NAS approaches into two main classes: sampling-based methods, which search optimal architectures using different architecture samplers, and bilevel theory-based methods, which solve the architecture search problem using bilevel optimization principles. We further highlight our current research direction, wherein the bilevel NAS formulation is addressed through an auxiliary mathematical programming framework. This framework enables the systematic integration of second-order information from the model's training loss function and ensures the optimality of the model parameters while modifying architecture parameters. By simultaneously updating the architecture and model parameters along their respective optimal descent directions derived from the auxiliary mathematical program, these methods achieve more principled and theoretically consistent results. The same auxiliary program can also be used for simultaneous hyperparameter and model fine-tuning. A comparative analysis shows that bilevel theory-based approaches generally outperform sampling-based methods, both in accuracy and efficiency.
Authors: Can Polat, Erchin Serpedin, Mustafa Kurban, Hasan Kurban
Abstract: A central premise of autonomous scientific imaging is that smarter navigation, whether Bayesian, RL-based, or otherwise adaptive, is the principal lever for sample-efficient acquisition. We present evidence to the contrary in scanning transmission electron microscopy (STEM), an atomic-resolution imaging modality whose every measurement deposits damaging electron dose. We introduce STEMGym, an open-source Gymnasium benchmark of 15 physics-simulated STEM worlds spanning five materials, three difficulty levels, and four characterisation tasks, scored by the Dose-Efficiency Curve area (DEC-AUC), a single scalar capturing the information-vs-dose Pareto frontier. Across 33 agent configurations under realistic dose budgets, the dominant determinant of dose efficiency is the analyst (perception) pipeline, not the navigator: pairing a trained CNN analyst with na\"ive raster scanning raises DEC-AUC by 5.5x over a CNN-free raster baseline (0.287 vs.\ 0.052), while substituting Bayesian or adaptive finite-state-machine navigation for raster yields no statistically significant further gain. Production-tier vision-language models further underperform task-specific CNNs by {\sim}13x on crystallographic defect analysis. By decoupling perception, navigation, and planning under a unified dose budget, STEMGym reframes where ML effort should be invested in autonomous electron microscopy and provides the measurement infrastructure to test it.
Authors: Micha{\l} Derezi\'nski, Xiaoyu Dong
Abstract: In 1937, Stefan Kaczmarz proposed a simple algorithm for solving systems of linear equations. This algorithm turned out to be the earliest known example of stochastic gradient descent, a ubiquitous computing paradigm that drives the training of modern AI models such as ChatGPT and Gemini. Now, those AI models have joined forces to discover the worst-case complexity of the Kaczmarz algorithm. This paper tells the story of how it happened.
Authors: Andrew Mack, Nina Panickssery, Alexander Matt Turner
Abstract: We aim to discover diverse, generalizable perturbations of LLM internals that can surface hidden behavioral modes. Such perturbations could help reshape model behavior and systematically evaluate potential risks. We introduce Causal Perturbative Elicitation (CPE), an unsupervised method for discovering interpretable low-rank adapters (LoRAs) that can elicit these latent behaviors. CPE decomposes the computations of a deep transformer slice using a heuristic tensor-decomposition-based algorithm. CPE exhibits remarkable data efficiency, learning a large number of interpretable LoRAs from a single example. Even though CPE is unsupervised, we find that in some cases it can be competitive with supervised elicitation methods via brute-force enumerative search over weight space. For instance, CPE performs similarly to matched-wall-clock-time GRPO on the Countdown task for Qwen3-8B (85% vs 87%), demonstrating that CPE can efficiently elicit complex multi-token behaviors. Since CPE is unsupervised, it can also surface hidden failure modes, such as sandbagging, restoring 85% of locked BigCodeBench performance on a password-locked version of Llama3-70B introduced by Taylor et al. (2025). Additionally, since CPE explores behaviors in weight-space rather than token-space it can potentially ameliorate exploration hacking, a misalignment failure which may arise in sufficiently self-aware AI models (Ngo, 2022). In fact, we find that CPE virtually eliminates alignment-faking (Greenblatt et al., 2024) behavior in a Llama3-70B-based model organism developed by Hughes et al. (2025). Finally, we find that CPE can be used to initialize GPT-OSS-20B in an aligned basin when running GRPO on an environment prone to reward-hacking. By providing a data-efficient method to systematically explore the space of latent model behaviors, CPE yields a powerful tool for aligning AI systems and evaluating their safety.
Authors: Yeji Kim, Housam Babiker, Mi-Young Kim, Randy Goebel
Abstract: Mixture-of-Experts (MoE) architectures have recently been extended with role-based mechanisms for interpretability. This is typically done by assigning semantic roles to individual expert components, for example roles like synergy, redundancy, and uniqueness in multimodal settings. However, whether such structural role decomposition preserves explanation faithfulness of the overall architecture remains largely underexplored. We hypothesize that inter-expert representation overlap weakens effective role separation and degrades attribution-based faithfulness, even when semantic roles are explicitly defined. To address this limitation, we introduce representation-level decorrelation regularization to explicitly reduce inter-expert similarity in latent space. Using representation decorrelation objectives, we encourage clearer specialization among experts by minimizing representation overlap. Our experiments show that across multiple multimodal benchmarks, this separation consistently improves explanation faithfulness, as measured by comprehensiveness, sufficiency, and their Area Over the Perturbation Curve (AOPC) summaries, while preserving task performance. We further show that these improvements are not limited to role-based architectures such as Interpretable Multimodal Interaction-aware MoE (I2MoE). Similar trends are observed in a standard sparse MoE baseline, suggesting that representation-level separation may provide a more general mechanism for enhancing explanation faithfulness in MoE systems. Overall, our findings suggest that structural role decomposition alone may be insufficient to guarantee faithful explanations and that representation-level separation helps improve explanation faithfulness. To support reproducibility, the source code and supplementary material are publicly available at https://github.com/dut0817/FL-I2MoE_Decor.
Authors: Stephen Tete, Carl Shneider, Maxime Cordy, Claudio Cesaroni, Andreas Hein, Vasily Petrov
Abstract: Earth system infrastructures relying on satellite-based technologies, such as Global Positioning System (GPS) communications, are affected by ionospheric Total Electron Content (TEC) gradients. Modeling these gradients under physical constraints remains challenging due to their dynamic and transient nature. While existing machine learning (ML) models can predict hourly TEC variations, it remains unclear whether their temporal resolution is sufficient to preserve small-scale TEC irregularities within predicted signals. To address this gap, we introduce an interpretable ML-based model, t-STEP, designed to predict TEC at a 30-second resolution and estimate irregularity signatures from the modeled signals. This high cadence enables the derivation of Rate of TEC changes (ROT) and the ROT Index (ROTI) as diagnostic indicators of ionospheric variability. The model is developed using GPS observations from solar cycle 24 at a station located at 5.49{\deg}S, 47.49{\deg}W. A multi-metric evaluation framework, including dynamic time warping, is used for robustness assessment, while SHAP (SHapley Additive exPlanations) provides insight into feature contributions. The 30-second TEC predictions achieve 91% accuracy with a mean absolute error (MAE) of 4.38 TECU during high solar activity (2015). Compared with the International Reference Ionosphere (IRI-2020), the hourly model improves accuracy by 35%, reduces absolute errors by 57%, and increases prediction skill by 54%. More importantly, the 30-second model captures TEC irregularity dynamics and morphologies during geomagnetic storms of different intensities, outperforming an attention-based Long Short-Term Memory model under the same experimental conditions. This study demonstrates the potential of a single TEC prediction framework for scalable irregularity monitoring without requiring separate models for individual transient events.
Authors: Mohammed Abu Baker, Lakshmi Babu-Saheer
Abstract: Sleeper agents are the canonical model organism of deception: models trained to behave normally but to emit an unsafe behaviour on a specific trigger. Eliciting that behaviour without knowing the trigger has not been studied systematically. We study fuzzing: injecting Gaussian noise into a model's weights or residual-stream activations and checking whether the perturbed outputs reveal the behaviour. On 6 backdoored models (7B-13B) we compare both forms of fuzzing head-to-head against temperature-sampling baselines. Fuzzing elicits the hidden behaviour more often than temperature sampling on 4 of 6 models (up to ~6x on OpenHermes-13B), and which form wins depends on the task, so both are worth running. Elicitation is uneven across each method's hyperparameter grid: a uniform sweep gives only a few percent on most models, while the best cell is 2-10x higher, so the bottleneck is hyperparameter selection, not the technique. To select hyperparameters without ground-truth access, we use a cheap proxy task (in-context secret elicitation, where a base64-encoded secret is placed in the system prompt for the model to hide) and run Thompson sampling on it to pick candidate cells, which we evaluate on the real backdoor. On the four models that can decode the secret, proxy-selected cells raise activation-fuzzing elicitation ~4x over the uniform-sweep mean (recovering ~70% of the best-cell rate on the best performing model) and weight-fuzzing by 1.3-1.8x. To our knowledge this is the first systematic study of fuzzing on sleeper-agent backdoors and the first to show proxy-task hyperparameter selection transferring to real-task elicitation. We also propose reporting such results as a (uniform-baseline, proxy-selected, oracle) triple, since these are three distinct claims that prior work has often blurred.
Authors: Igor Halperin
Abstract: Bogomolny, Bohigas and Schmit (BBS) found that the spectrum of the pairwise distance matrix on N points sampled from a smooth d-dimensional manifold encodes a signature of the underlying geometry. We develop I-BBS (Inference-BBS), a coordinate-free method that identifies a low-dimensional latent sub-manifold embedded in a high-dimensional ambient distance matrix alone, without accessing an ambient high-dimensional vector space. It therefore applies even when that space is only partly observable or undefined. We model the ambient embedding by two classes of generative noise, model-based and model-free. The noise mixes the latent signal with off-manifold components, so the eigenvalues reorganise collectively and the latent geometry cannot be read off eigenvalue by eigenvalue. We recover it instead from two integer-stable signatures that survive the noise: the multiplicity of the top non-Perron multiplet, which fixes $d$, and a parameter-free law for how the multiplet positions shrink as the noise grows. On synthetic spheres $S^1$, $S^2$ and $S^3$ these integer signatures are far more stable under noise than the continuous spectral slope, and a blind test recovers both the manifold and the noise model from a single distance matrix. Applications to neural-network representations and to the dynamic training regime are developed in two companion papers.
Authors: Igor Halperin
Abstract: Observable Matrix Dynamics (OMD) is a diagnostic framework that probes the dynamics of high-dimensional internal representations of inputs by a neural network via a fixed-size $N \times N$ distance matrix $M(t)$ on a held set of $N$ inputs. OMD uses methods of random matrix theory and particle dynamics to explore spectral reorganisations that are missed by scalar loss functions, but are informative of the training process. We read $M(t)$ against a perturbative ambient-versus-latent decomposition extending the Bogomolny--Bohigas--Schmit (BBS) theory of random distance matrices, with per-snapshot diagnostics for the top-of-spectrum band structure and ambient noise, trajectory-level observables linking snapshots, and a 3D MDS embedding (bottom-three eigenvectors) rendering training as a moving particle cloud. Across seven experiments, diffusive regimes lack stable top-of-spectrum band structure, while sharp endogenous or externally driven reorganisations produce stable fingerprints: consistent with smooth or product latent geometries in BBS-adjacent cases, and with finite-cluster or Fourier-soliton structures otherwise. OMD thus reads the geometric regime of a representation rather than reporting a single intrinsic dimension.
Authors: Kaavya Krishna-Kumar, Elaine Lau, Vaughn Robinson, Jay Caldwell, Sheriff Issaka, Skyler Wang, Francisco Guzm\'an, Steven Kelling, Jonas Mueller
Abstract: How can we evaluate whether frontier AI systems recognize child-safety risks before they escalate into explicit harm? Existing child safety evaluations focus on child sexual abuse material, yet many child-safety failures begin earlier: in model assistance that helps adults manipulate, impersonate, profile, or isolate minors, and in model responses that deepen children's emotional dependence on AI systems rather than redirecting them toward human support. We introduce CAREBench (Child AI Risk Evaluation), a benchmark to assess such upstream child-safety risks in language models. CAREBench contains 500 prompts spanning twelve risk categories, including grooming and relationship engineering, deception and impersonation, surveillance and privacy, sextortion and sexual abuse, AI anthropomorphization, emotional dependency, and mental illness sensitivity. Developed with response annotations from parents and clinicians, the benchmark excludes explicit abuse material and imagery; instead, it evaluates whether models recognize, refuse, de-escalate, or redirect risky interactions before harm becomes overt. Evaluating seven frontier models on our benchmark, we find failure rates ranging from 2% to 58%, with failure patterns that vary across risk categories. CAREBench provides a responsibly scoped evaluation for LLM developers to identify and close gaps in child safety policies.
Authors: Duc Anh Nguyen
Abstract: We ask a simple question about decoder-only transformers: between which two layers is the probability of a predicted token actually produced? Existing layer-wise readout tools answer only approximately. The logit lens and its trained variant report a per-layer level of probability but give no additive decomposition; their estimates are biased and non-monotone across depth. Direct Logit Attribution and related residual-stream methods are additive, but only in logit space, the softmax nonlinearity breaks additivity in probability space, precisely the quantity one usually cares about. Layer Conductance integrates gradients per layer, but attributes each to its own baseline and so does not sum to the total change in prediction. We introduce IG-Lens, a telescoping application of Integrated Gradients along a single path through the hidden states from a baseline to the final layer. Crediting each segment to the layer it terminates at yields a layer-wise attribution whose sum is exactly the change in target probability, with the softmax inside the integration path rather than linearized away. Our default estimator credits each integration step its observed change in target probability (a prediction-aware reweighting in the spirit of IDGI) rather than its raw gradient. Because the readout is a one-dimensional probability, this collapses each segment to a telescoping sum of endpoint values, so completeness holds exactly (to floating point) at any step count, removing Riemann discretization error while suppressing steps that show gradient sensitivity without a change in output. We give the telescoping identity and its proof, verify completeness to floating point, and describe a single-pass batched implementation computing the full token-by-layer map without any backward call. Code: https://github.com/anhnda/IGLens.
Authors: Liu Zewen
Abstract: Measurements of proprietary LLM evaluators can become invalid within weeks -- we document one case and provide the diagnostic framework to detect it. We introduce EPC -- comprising the Multimodal Preference Collapse Index (MPCI), evaluator-indexed coupling matrix, and Jensen-Shannon divergence (JSD) -- and apply it across eight experimental conditions (N=112 main + N=10 ablation = 122 unique repetitions, all reported). Coupling coefficients range from 0.00 to 1.18 across per-condition means (CV approx 0.9, n=8 conditions). Four conditions show strong coupling (N=36; GPT-4o May, GPT-4o-mini, Qwen3.7-plus, DashScope 30r); four collapse to near-zero (N=76; GPT-4o June, qwen-plus N=30, symmetric LR, DeepSeek self-eval). The May-to-June GPT-4o drift -- an N=8 re-replication inverting the study's conclusion -- is the most informative measurement: a diagnostic instrument detecting its own instability demonstrates the fragility it was designed to measure. Self-evaluation (97% zero, JSD=0.003) consistently collapses, though floor effects are possible. Output-format confound analysis finds per-strategy aggregate rho=0.89 but per-instance rho=0.219 (p=0.093); PCI reported as preference-convergence metric. We release EPC with all data. The finding is not any single coupling magnitude but the pattern of version-conditional instability that makes single-snapshot evaluator studies unreliable.
Authors: Zewen Liu
Abstract: Resampling methods such as SMOTE and random under/over-sampling are standard tools for class-imbalanced classification, almost always evaluated by minority-class accuracy or F1. Prior work has established that undersampling degrades probability calibration by distorting the training prior [1]. We extend this lens to synthetic oversampling (SMOTE) and provide a practical, evidence-based guide to when calibration damage matters and how to fix it. Across five public datasets (imbalance ratio 1.9-70) and two ensemble models (random forest, gradient boosting), with ten seeds and paired statistics, we find: (1) SMOTE's calibration cost is real but small (ECE +0.009; Cliff's delta = +0.27, small-to-moderate) across the studied imbalance range (IR 1.9-70) and its discrimination gains typically outweigh the calibration penalty; (2) random undersampling is the genuine danger -- its damage grows sharply with imbalance, inflating ECE from 0.008 to 0.395 on a dataset with ratio 70, largely because the resulting training sets are too small to estimate probabilities reliably; (3) a single post-hoc recalibration step (Platt or isotonic) eliminates the damage, reducing ECE by up to 66% at a negligible ranking-power cost (AUC -0.002, Cliff's delta = -0.07); and (4) the analytic prior-shift correction that repairs undersampling does not transfer to SMOTE, because SMOTE distorts the class-conditional density rather than only the prior -- so data-driven recalibration remains necessary. We recommend that imbalanced-learning studies report calibration alongside discrimination, and that practitioners recalibrate after resampling whenever predicted probabilities drive decisions.
Authors: Youngseok Hwang, Sungho Bae, Dohun Lee, Jaeeun Seo, Jeehong Kim, Wonhee Lee, Hyunwoo Park
Abstract: Maritime anomaly detection is essential for ensuring maritime safety, security, and efficient traffic management at sea, with Automatic Identification System (AIS) data serving as a primary data source. Despite its importance, most publicly available AIS datasets lack predefined anomaly labels, forcing prior studies to rely on either distribution-based rarity or domain rule/expert-assisted labeling. These approaches, however, face fundamental limitations: statistical rarity often fails to reflect practically critical events, while expert-based labeling is costly, subjective, and difficult to scale. Moreover, both paradigms tend to overlook interaction-driven hazards such as near-miss approaches between vessels. To address these challenges, we propose an equation-grounded anomaly taxonomy that is implementable under a limited AIS observation schema and extensible to other AIS datasets. Specifically, the taxonomy defines three anomaly types: unexpected AIS activity (A1), route deviation (A2), and close approach (A3), covering both single-vessel and inter-vessel anomalies. Building on this taxonomy, we introduce a unified score-synthesize-label pipeline that produces LLM-guided plausibility scores, uses them to synthesize anomalies, and assigns timestamp-level labels. To rigorously assess detection performance, we further design benchmark evaluation settings that account for variations in temporal-window length and anomaly-type composition, and evaluate a broad range of time-series models and anomaly detection models. Together, these contributions provide a systematic basis for evaluating maritime anomaly detection methods across different anomaly types. Our code is available at https://github.com/snudial/open-maritime-anomaly-detection.
URLs: https://github.com/snudial/open-maritime-anomaly-detection.
Authors: Guang-Xing Li
Abstract: Continuous physical fields represent a large fraction of data under scientific investigation. Their multiscale structures are central to discovery, yet useful coordinates are not known in advance. Standard self-supervised methods define context and targets in fixed image coordinates, posing a predictive task misaligned with fields organized across a continuous scale hierarchy. We introduce ScaleAware-JEPA, a framework that constructs dense, label-free latent coordinates for continuous scalar fields. Constrained Diffusion Decomposition (CDD) separates each field into pixel-registered scale components and provides the scale coordinates that define the masking geometry. The resulting JEPA objective predicts hidden structure with a context footprint tied to the diffusion scale of each component rather than to an arbitrary patch size. Across MHD turbulence, interstellar molecular gas and urban nighttime-light structure, the learned geometry maps back to coherent morphology, forming dense structural atlases without labels or predefined segmentation rules. By tying latent prediction to the scale hierarchy of a field, ScaleAware-JEPA constructs latent coordinates through which complex physical patterns can be inspected before their relevant structures have been prescribed. Code is available at https://github.com/gxli/SA-JEPA.
Authors: Liam A. Kruse, Houjun Liu, Alexandros E. Tzikas, Mansur M. Arief, Mykel J. Kochenderfer
Abstract: Normalizing flows are powerful generative models that learn an invertible mapping between complex data distributions and simple latent distributions, typically a standard normal density. However, this choice of latent density can impose unnecessary complexity on the learned flow transformation due to the topological mismatch between the latent and data densities, leading to slower training and suboptimal performance. In this work, we propose using mixtures of probabilistic principal component analyzers (MPPCA) as the latent density for normalizing flows. We simplify the learned flow transformation by learning a latent distribution that more closely aligns with the data distribution in terms of KL divergence, thus enabling faster convergence and improved generative performance. Critically, MPPCA models can be fit quickly and cheaply using the expectation-maximization algorithm, making them a practical choice for initializing latent distributions even in high-dimensional generative tasks. We validate our method on both tabular and image datasets, demonstrating consistent gains in training efficiency and generation quality compared to baselines.
Authors: Riku Nakao, Akihito Hiromori, Hamada Rizk, Hirozumi Yamaguchi
Abstract: In this paper, we formulate a new vehicle dispatch optimization problem, called Nursing Care Taxi Dispatch, as a variant of the Vehicle Routing Problem, considering constraints related to wheelchair use, user compatibility, pick-up and drop-off times, and vehicle limitations. Previous neural-based methods for Vehicle Routing Problems have typically addressed a few simple constraints, while our new problem involves multiple complex constraints, resulting in having fewer destinations to select. This complexity makes it more difficult to obtain solutions that allow all nodes to be visited with a limited number of vehicles. To balance low violation rate, computational efficiency, and solution quality, we propose a supervised machine learning approach based on the Transformer architecture. We first obtain a set of high-quality solutions using an integer linear programming solver for given inputs and then train our learning model through supervised learning. Additionally, we introduce the post-processing of the paths generated by the learning model, ensuring that all constraints are satisfied. We compared each instance's objective function value (operating time), execution time, and constraint violation rate across different methods: our proposed method and some existing methods including integer linear programming and machine learning-based methods, using real-world facility data. Our method successfully produced balanced solutions regarding operating time, execution time, and constraint violation rate. Notably, we observed a decrease in the operating time for all problem sizes and regions, while keeping constraint violations to a minimum compared to existing methods. Especially, the decrease reached up to 8% for problem sizes with fewer than 30 users.
Authors: Doo Hwan Hwang, Kee-Eung Kim
Abstract: Reinforcement Learning from Human Feedback (RLHF) for Large Language Models increasingly relies on critic-free methods as a practical alternative to actor--critic training. Despite their simplicity, existing critic-free approaches propagate a trajectory-level learning signal uniformly across all tokens in a trajectory. This requires full-trajectory policy updates for every rollout, leading to substantial optimization cost for long reasoning traces, even though intermediate prefixes often contain enough information to largely determine the final outcome. We propose Prefix-Sampling Proximal Policy Optimization (PS-PPO), a compute-efficient critic-free method for RLHF that exploits this temporal redundancy. PS-PPO introduces a prompt-conditioned cutoff distribution and samples a cutoff timestep for each trajectory. During the update pass, PS-PPO backpropagates only through the sampled prefix of each trajectory and applies an importance-weighting correction so that the resulting truncated gradient estimator remains unbiased with respect to the full-trajectory objective. Experiments on mathematical reasoning and RLHF benchmarks show that PS-PPO achieves large reductions in training compute and peak GPU memory, while maintaining accuracy comparable to strong critic-free baselines.
Authors: Haoxin Sun, Yiqing Lin, Yajun Huang, Chenhui Dong, Mingjun Li, Zhongzhi Zhang
Abstract: Graphs are widely used to model relational systems, with applications in domains such as social networks, finance, and biomedicine. Graph neural networks (GNNs) have become a mainstream approach for learning graph representations. With the rise of large language models (LLMs), recent studies have attempted to combine GNNs with LLMs. However, most existing works concentrate on node-level and edge-level tasks, while graph-level tasks, which require capturing more complex structural and feature information, remain relatively underexplored. Moreover, graph pretraining is a widely adopted strategy to alleviate the challenge of label scarcity. Most existing approaches are designed solely for GNNs such as GraphCL, leaving LLMs uninvolved in the process. To address these limitations, we propose GLIP, a Graph-LLM JoInt Pretraining framework for graph-level tasks. GLIP first performs graph augmentation to construct positive and negative pairs and introduces a multi-token selection strategy to identify patches informative in both structure and features. It further leverages a diffusion-based projector to enrich them with contextual information, enabling GLIP to capture signals from both global and local perspectives. Finally, GLIP employs a joint objective that integrates the LLM's semantic judgments with a contrastive alignment loss, ensuring consistent supervision at both the semantic and structural levels. After pretraining, GLIP is fine-tuned with limited labeled data for downstream tasks, and extensive experiments show that it outperforms state-of-the-art methods on graph-level classification and reasoning tasks. Our source code is publicly available at https://anonymous.4open.science/r/GLIP.
Authors: Zheng Fang, Chen Yang, Yusen Tan, Yunpeng Zhao, Fanjie Xu, Hongxin Xiang, Hanyu Sun, Hanyu Gao, Xiaojian Wang, Wenjie Du, Yuqiang Li, Jun Xia
Abstract: Nuclear Magnetic Resonance (NMR) spectroscopy is the gold standard for molecular structure elucidation, yet interpreting complex spectra for unknown molecules remains a bottleneck reliant on human expertise. While artificial intelligence has advanced this field, current methods face a critical trade-off: database retrieval cannot identify novel scaffolds, while de novo molecular structure elucidation models operate as black boxes, lacking the atom-level interpretability required for rigorous scientific validation. Here, we present NMRAgent, an evidential reasoning agent powered by large language models (LLMs) that bridges this gap by integrating specialized spectral analysis tools with chemical knowledge graphs. Unlike previous approaches, NMRAgent mimics the deductive reasoning of human experts: it takes experimental NMR spectra and molecular formula as input, plans the elucidation process, proposes candidate structures, verifies peak-atom consistency, and refines misaligned substructure through formula-aware fragment optimization. Enabled by its evidential reasoning, NMRAgent outperforms state-of-the-art methods, improving top-1 accuracy by 46.5% and Tanimoto similarity by 0.502 on a scaffold-split benchmark with novel scaffolds in the test set. Besides, we demonstrate the agent's practical utility by elucidating the structures of two previously unknown natural products isolated from Hydrangea davidii and Vitex trifolia, and by correcting structural misassignments in established literature. By combining high-accuracy prediction with transparent and evidence-based reasoning, NMRAgent establishes a new paradigm for interpretable AI in analytical chemistry.
Authors: Kuan Wang, Chao Zhang
Abstract: When a multimodal AI agent is asked to forget a fact, current memory systems usually delete the text entry and report success. We find that the fact can remain recoverable from retained user images, including images tagged to entirely different facts, because VLMs use implicit visual cues at inference time. We introduce the Information Provenance Graph (IPG), a taxonomy that classifies memory representations by deletion affordance. The IPG reveals that deletion fails through multiple channels. Our benchmark, MemLeak, measures this across a deletion cascade: direct probing of deletion-capable systems yields <1%, but retained correlated text enables 18.3% recovery, and retained images enable 12.0% recovery (0.0% blind baseline, 0.3% FPR) -- with 47% of image leaks not text-recoverable. Content-aware semantic deletion reduces the image residual to 2.0%. The residual appears across multiple VLMs, a production memory system, and real Unsplash-licensed photographs. Dual-annotator human validation (kappa = 0.88) confirms judge reliability.
Authors: Kunwoong Kim, Dongha Kim
Abstract: Outlier detection (OD) aims to identify anomalous instances by learning the underlying structure of normal data (inliers), and is particularly challenging in fully unsupervised settings where no information about anomalies is available during training. Recent advances have leveraged the inlier-memorization (IM) effect, a phenomenon in which deep models memorize inlier patterns earlier than those of outliers, as a powerful signal for distinguishing outliers. However, despite its empirical success, the theoretical understanding of the IM effect remains limited. In this work, we present a theoretical study of the IM effect. Focusing on a simple autoencoder, we show that, under mild assumptions, the model can successfully memorize inliers while failing to memorize outliers during certain stages of early training. In particular, we characterize not only the emergence of the IM effect, but also its strength and persistence, and analyze how these properties depend on the data distribution and parameter initialization. In addition, building on these insights, we derive simple yet practical guidelines for enhancing the IM effect, including data preprocessing and parameter initialization schemes, achieving state-of-the-art performance on the ADBench datasets. Our findings provide a theoretical foundation for the IM effect and offer actionable directions for improving IM-based outlier detection methods.
Authors: Prabhat Nagarajan, Brett Daley, Martha White, Marlos C. Machado
Abstract: Action-values are foundational to many control algorithms such as Q-learning. Therefore learning action-values efficiently is central to reinforcement learning (RL). However, learning them can be slow, requiring many updates to move values from their initialization, typically near zero, to their true values, which may be far from zero. Moreover, action-value learning algorithms typically update each state-action pair independently, without learning shared value structure across actions within a state. In this paper, we address these inefficiencies by introducing the mean-expansion layer, which accelerates action-value learning by sharing values across actions within a state and by changing the problem from directly learning potentially large action-values to learning a lower-norm representation of them. In deep RL, this layer can be applied as a parameter-free addition to Q-network architectures without altering the underlying algorithm. Applied to deep Q-networks and implicit quantile networks, it improves aggregate performance across 57 Atari games while increasing action gaps and dramatically reducing value overestimation.
Authors: Qijun Li, Zheng Fu, Qi Song, Yifei He, Weitao Zhou, Kun Jiang, Diange Yang
Abstract: In complex continuous-control reinforcement learning tasks, multimodal optimal actions often coincide with uncertain, multimodal return distributions, making reliable value estimation and multimodal exploration challenging. Existing value estimation methods using unimodal Gaussians restrict expressiveness and yield biased estimates. Recent generative policies can represent multimodal actions but often collapse to a few modes and under-explore high-value areas of the action space. Motivated by these challenges, we propose Dual-Flow RL, a unified actor-critic framework that jointly models a continuous return distribution and a multimodal policy distribution using conditional flow matching (CFM). This design supports reliable value estimation and sustained multimodal exploration. To further enhance exploration, we introduce an Entropy-Covariance Exploration Regulator (ECER) that enables state-aware exploration regulation leveraging policy entropy and action-uncertainty covariance. Experiments on DeepMind Control Suite and Humanoid-Bench show that Dual-Flow RL achieves state-of-the-art performance on most tasks, significantly outperforming prior diffusion-based and flow-based methods.
Authors: Yiting Hu, Lingjie Duan, Qian Zhang
Abstract: Machine unlearning aims to eliminate the influence of specific data from trained models to safeguard privacy. However, this presents a significant challenge in the context of continual learning (CL), where models update sequentially on dynamic datasets. A major limitation is that current certified unlearning algorithms fail to account for the complex, cumulative model evolution inherent to CL framework. In this work, we establish the first theoretical foundation bridging CL and machine unlearning. We formulate the CL's unlearning objective as the minimization of post-unlearning excess risk, which decomposes into CL excess risk and unlearning loss, characterizing the fundamental trade-off between preserving historical knowledge and targeted forgetting. Under mild assumptions, we first establish an upper bound for the CL excess risk in non-convex models. We then adapt two certified unlearning approaches, gradient-based and Hessian-based, to the CL framework. Our analysis reveals that while the gradient-based approach is less effective than the Hessian-based method in minimizing unlearning loss, it offers the distinct advantage of nearly zero storage overhead for enabling unlearning. This insight motivates a hybrid strategy that reduces storage costs while maintaining post-unlearning performance. Experimental results further validate our theoretical findings.
Authors: Yiting Hu, Lingjie Duan
Abstract: Continual learning (CL), where a model is trained on a sequence of data tasks, is increasingly being adopted across key fields such as large language models and image recognition, yet it remains highly vulnerable to data poisoning that triggers learning divergence or severe excess risk. Despite these threats, a principled theoretical foundation in CL for understanding attack and defense remains lacking. In this paper, we develop a theoretical framework to analyze strategic attacks and defenses in regularization-based CL, a cornerstone of recent CL theory. By framing the adversary-defender interaction as an online zero-sum game, we first establish a fundamental performance limit: no defense succeeds when an adversary poisons a linear proportion of tasks by injecting unbounded noise or pattern shifts in regularization-based CL. We then analyze two possibly defensible scenarios: infrequent attacks and bounded noise per attack. For the former regime, we propose a task-to-task verification mechanism to detect data poisoning and reduce cumulative bias for learning convergence. For the latter regime, we derive a robust defense that minimizes the model's sensitivity to poisoned features, provably accelerating the convergence rate. Extensive experiments on realistic tasks further validate our theoretical results.
Authors: Nithisha Raghavaraju, Barbara Giunti, Bastian Rieck
Abstract: Chatbots have become increasingly prevalent across various domains, offering automated assistance in many areas, especially mental health support. The training is done using extremely large datasets, which are sometimes not available in very specific domains. Moreover, it would sometimes be ideal to train the chatbot with personal information about the patients, which, of course, cannot be done on shared servers since it would violate patient confidentiality. Hence, being able to improve the performance of a chatbot, possibly trained locally and on a restricted dataset, without having to increase the dataset itself, would be extremely beneficial. In this work, we will enhance the input datasets using persistent homology (PH) vectorizations computed from the raw datasets themselves. Then we will compare, across several metrics, the performance of multiple chatbot models with or without the PH enhancement. Our experiments suggest that, while at times the PH enhancement is not particularly beneficial, it sometimes brings remarkable advantages for virtually no cost.
Authors: Adithya Mohan, Daniel Kriegl, Torsten Sch\"on
Abstract: Deep Reinforcement Learning (DRL) has achieved significant success in robotics and autonomous systems, yet remains vulnerable to adversarial perturbations that can severely degrade performance. Research in adversarial reinforcement learning is often limited by fragmented implementations, inconsistent evaluation protocols, and poor reproducibility. To address these challenges, we present \textbf{RoAd-RL}, an open-source benchmarking framework that provides unified abstractions for policies, attacks, defenses, and robustness metrics, together with reproducible evaluation pipelines and seamless integration with Stable-Baselines3 and Gymnasium. We evaluate DQN, PPO, and SAC agents in LunarLander and Highway-v0 under 192 attack-defense configurations. Results reveal substantial variations in robustness across environments and show that some commonly used defenses can be more detrimental than the attacks they aim to mitigate, while temporal smoothing consistently achieves strong performance. RoAd-RL establishes a standardized benchmark for adversarial reinforcement learning research and is publicly available at https://pypi.org/project/road-rl.
Authors: Konstantinos Ziliaskopoulos, Alexander Vinel, Alice E. Smith
Abstract: Predictive models are increasingly embedded in operational decision-making, yet standard explanation methods typically explain forecasts rather than the decisions those forecasts induce. This distinction is important in predict-then-optimize systems: large forecast changes may leave the optimizer's action unchanged, while small changes can alter the selected decision and its realized value. We propose Decision Value Attribution (DVA), a Shapley-based framework for attributing the value of a fixed prediction--optimization pipeline. The framework defines cooperative games whose payoff is the downstream decision value, allowing the players to be information sources, optimization or design parameters, or both. We present three variants: InfoDVA attributes value to features, DesignDVA attributes value to operational configurations, and Decision-Value Interactions (DVI) quantifies how information and design jointly create value. We further distinguish post-DVA, which evaluates decisions using realized outcomes, from pre-DVA, which evaluates decisions under the model's full prediction. This separation turns attribution into a decision-level diagnostic of whether the model's operational beliefs align with realized performance. The resulting attributions are expressed in the units of the operational objective and decompose the gain or loss relative to a baseline. Case studies in electricity storage arbitrage and emergency medical service coverage show that predictive explanations can be poor proxies for operational value, that DVA can guide targeted information-control interventions, and that optimization configurations determine when predictive information is decision-relevant.
Authors: Chungpa Lee, Jihoon Kwon, Kyle Min, Jy-yong Sohn
Abstract: Vision-language models map images and text into a joint embedding space. However, these embeddings often entangle multiple semantic features, which limits their interpretability and controllability. While sparse autoencoders have emerged as a useful tool for decomposing these embeddings into monosemantic features, their application to joint embedding spaces has largely relied on an implicit, untested assumption that semantically corresponding features share the same directions across modalities. In this paper, we challenge this assumption by identifying discrepancies in feature directions for the same concept across image and text modalities, a phenomenon we term cross-modal feature heterogeneity. We demonstrate that this heterogeneity is a key driver of the modality split, where a shared concept activates different latents depending on the modality. This finding further reveals why aligning latent activations alone is insufficient to resolve the underlying feature mismatch. Motivated by this observation, we propose an approach that trains modality-specific sparse autoencoders to preserve each modality's feature geometry, and then aligns corresponding features post hoc. Our method improves reconstruction fidelity and enhances performance in cross-modal retrieval and concept steering.
Authors: Sonath Kirindage, Vihanga Nimsara, Sakindu Rajapaksa, Kavyanga Hathurusinghe, Lahiru Dilshan, Subavarshana Arumugam, Nathali Athukorala, Sandareka Wickramanayake, Nisansa de Silva
Abstract: Timely intensive care dictates survival, yet emergency infrastructure remains unevenly distributed across Sri Lanka. While pre-hospital services have expanded, the transition to definitive care remains a critical bottleneck. This study evaluates national emergency resilience by quantifying the gap between clinical demand and the availability of specialized resources across all 25 districts. Using the latest national epidemiological data and terrain-aware H3 hexagonal modeling, we analyzed accessibility for seven critical conditions based on spatial gaps, clinical need-gaps, lethality, coverage, and resource availability. Based on these metrics, unsupervised K-Means clustering was applied to categorize districts into four policy-actionable archetypes: Critical Structural Exclusion, Institutional Mirages, Operational Capacity Strain, and High-Resilience Benchmarks. Our study suggests that severe service deficits exist in the Northern and Eastern provinces, where spatial gaps exceed 70%, rendering the Golden Hour operationally impossible. Notably, specialist scarcity drives systemic pressure more than bed capacity; underserved regions effectively function as institutional mirages. This study suggests that improving accessibility by 25% in high-priority clusters would reduce the national need-gap by 9.65%, providing a roadmap for the strategic redistribution of specialists to ensure healthcare equity.
Authors: Sijia Li, Xiaoyu Tan, Chen Zhan, Yuanji Ma, Haoyu Wang, Xihe Qiu
Abstract: Cardiac discharge phenotyping informs post-discharge treatment and follow-up, but real-world records are often incomplete and class-imbalanced, increasing the risk of missed high-risk phenotypes. We propose CW-B, a clinical risk-aligned class-weighted XGBoost pipeline for five-class cardiac discharge phenotyping under real-world class imbalance and missingness. CW-B combines fold-specific class-balanced instance weighting, missingness-indicator augmentation, and classwise error auditing to improve recognition of clinically prioritized phenotypes while preserving interpretable and auditable decision logic. In five-fold stratified cross-validation, CW-B achieves the best Accuracy, Macro-F1, Balanced Accuracy, and Prioritized F1 among tree-based, ensemble, and neural baselines. Overall, CW-B provides a practical and deployment-oriented approach for more reliable cardiac discharge phenotyping in real-world clinical settings.
Authors: Haoliang Han
Abstract: Long-running language agents need mechanisms for deciding which experiences should persist after the working context is gone. Retrieval systems can reinsert past text, but they do not by themselves show that an experience has been selectively consolidated into the model's own behavior. We introduce EVAF, an Echo-Valence Attractor Field mechanism for gated LoRA consolidation, and a test-retest protocol for measuring selective parametric consolidation under controlled interference. Across GPT-2 and TinyLlama, EVAF preferentially consolidates high-valence, high-surprise experiences while preserving retrieval-accessible factual memory through a complementary routed memory path. Test-retest measurements show stronger post-interference behavioral persistence than frozen, retrieval-only, and ungated continual-update baselines, while keeping parameter drift and cross-persona contamination low. The results support a separation between memory access and memory depth: retrieving a fact and internalizing an experience are distinct computational operations.
Authors: Han Zhou, Teodora Popordanoska, Matthew Blaschko
Abstract: As deep learning models are increasingly deployed in high-stakes applications, providing well-calibrated uncertainty estimates has become as critical as achieving high predictive accuracy. While Kernel Density Estimation (KDE) has emerged as a smooth and continuous alternative to traditional binning for quantifying miscalibration, its reliability is heavily dependent on the choice of the kernel bandwidth. Standard selection techniques, such as Maximum Likelihood Estimation (MLE), often fail to produce optimal bandwidths for calibration tasks. In this work, we introduce Risk Alignment (RA), a novel optimization framework that determines the optimal bandwidth by aligning KDE-reconstructed risk with empirical risk. We theoretically demonstrate that this alignment minimizes calibration estimation bias across the data distribution, establishing a principled bandwidth selection criterion applicable to various metrics, including the challenging case of canonical calibration error. Extensive experiments across multiple architectures and datasets show that RA consistently outperforms standard bandwidth selection methods, yielding more reliable calibration assessments.
Authors: Hugo L. Hammer, Vajira Thambawita, Kristoffer Herland Hellton, P{\aa}l Halvorsen
Abstract: Interpretable Mesomorphic Neural Networks (IMNs) offer a promising framework that combines the predictive power of deep neural networks with the interpretability of linear models. However, the original formulation lacks safeguards to ensure that the learned interpretations are in fact reliable. In particular, the network is free to concentrate all explanatory variance into a single weight of the linear output layer, achieving strong predictive performance while producing interpretations that are largely meaningless. Paradoxically, the L1 penalty proposed to encourage sparse solutions exacerbates this problem by further incentivizing such degenerate configurations. To address this vulnerability, we introduce Local Fidelity Regularization (LFR), a novel penalty term that prevents degenerate weight collapse by aligning the linear output weights with local data variations. This structural constraint guarantees faithful explanations and substantially improves the reliability of model interpretations. Furthermore, empirical evaluations across the OpenML benchmark suite demonstrate that LFR does not compromise accuracy for explainability; rather, it achieved improved AUROC over the unregularized IMN. By yielding results highly competitive with state-of-the-art black-box models, LFR provides the dual benefit of reliable interpretability and superior predictive performance. Source code and usage instructions are available at https://github.com/hugohammer/LFR-IMN.git.
Authors: Seonghwan Park, Hyunji Jung, Dongyeop Lee, Namhoon Lee
Abstract: Detecting out-of-distribution (OOD) data is crucial for reliable machine learning deployment. Among detection strategies, post-hoc methods are particularly attractive due to their efficiency, as they operate directly on pre-trained networks without requiring retraining. Within this paradigm, one promising direction exploits loss-landscape curvature to estimate model uncertainty; however, such methods incur substantial computational cost and rely on implicit assumptions about how landscape flatness differs between in-distribution (ID) and OOD data. In this work, we provide the first systematic investigation of this curvature discrepancy and show that OOD inputs exhibit larger Hessian curvature than ID data, with the gap widening under stronger distributional shifts. Motivated by these observations, we propose Fold, a lightweight flatness-modulated OOD detector that leverages the feature Hessian and partial feature normalization to improve ID-OOD separability while avoiding costly parameter-space curvature approximations. To optimally adapt this normalization across diverse datasets, we further introduce AutoFold, a self-supervised tuning scheme that synthesizes pseudo-OOD samples via ID logit masking for automatic calibration without requiring external data. Experiments on OOD benchmarks show that Fold outperforms prior methods, improving the average AUROC by 1.63% and reducing FPR95 by 2.30%, while maintaining computational efficiency comparable to a standard forward pass. Supported by theoretical analysis and extensive ablations, Fold provides a principled and practical solution for robust real-world deployment.
Authors: Peyman Hosseini, Ondrej Bohdal, Ahmed Alajrami, Andrea Maracani, Ignacio Castro, Matthew Purver, Mete Ozay, Savas Ozkan, Taha Ceritli
Abstract: Large Language Model (LLM)-based agents can solve complex procedural tasks by interacting with environments over multiple turns, but this ability typically depends on large models, long contexts, and repeated inference calls. This makes advanced memory-augmented agents difficult to deploy on resource-constrained devices. We introduce DuoMem, a dual-space distillation framework that transfers procedural problem-solving ability from a large teacher model to compact student models. DuoMem distils in two complementary spaces: (1)context-space distillation, which replaces student-generated memories with higher-quality teacher-generated procedural memories prepended to the student's input, and (2)parameter-space distillation, which fine-tunes lightweight LoRA adapters on successful teacher trajectories. Evaluated on ALFWorld, a challenging embodied decision-making benchmark, DuoMem boosts a 4B-parameter model from 4.3% to 77.9% task success rate, closing most of the gap to a 72B teacher model (87.1%), while adding fewer than 10M trainable parameters and only a few megabytes of pre-computed teacher memories. Moreover, the DuoMem-enhanced 4B model completes tasks over 3x faster than the 72B teacher in wall-clock time, making it viable for real-time edge deployment, which would be challenging for the teacher.Extensive ablations across eight models spanning 2B-72B parameters reveal that both distillation axes contribute complementary
Authors: Aydin Javadov, Shyngys Aitkazinov, Tobias Hoesli, Florian von Wangenheim, Bjoern Schuller, Joseph Ollier
Abstract: A growing body of work suggests that the reasoning capabilities of large language models are largely latent in their base form, with post-training primarily amplifying rather than introducing them. However, this evidence comes mainly from mathematical and coding benchmarks, leaving the boundary conditions of that claim largely unexplored, namely which cognitive tasks can be recovered through elicitation and where that recovery fails. To investigate this, we introduce NeuReasoner, a theory-grounded elicitation instrument. At each step, an orchestrator pairs a Neuro Lens, inspired by functional specificity, with a Cognitive Lens, drawn from the Erotetic Theory of Reasoning, and integrates their outputs through internal modularization of a single model, without external tools. We evaluate NeuReasoner on CogBench, a suite of behavioral tasks from cognitive psychology, alongside standard mathematical and coding benchmarks, measuring both its improvement over vanilla inference and its ability to match a model's post-trained thinking mode. At sufficient scale, NeuReasoner matches or exceeds thinking-mode baselines on arithmetic reasoning, code generation, Bayesian reasoning, and reward learning; these gains persist against self-consistency and iterative-refinement baselines matched to NeuReasoner's per-decision call budget. Using NeuReasoner allows us to find clear boundaries: risk-taking and decision making under uncertainty remains hard to recover through elicitation alone, and model scale interacts with elicitation in both directions: widening its advantage on some cognitive signatures while erasing it on others. Overall, through NeuReasoner as a modular, interpretable, theory-grounded elicitation instrument, we empirically map where reasoning elicitation succeeds and fails, beyond the mathematical and coding benchmarks where prior claims have rested.
Authors: Ali Ramlaoui, Daniel T. Speckhard, Sagar Pal, Fragkiskos D. Malliaros, Alexandre Duval, Victor Schmidt
Abstract: Atomistic machine learning datasets are increasingly used for training: large immutable snapshots are read repeatedly, shuffled across epochs, staged across clusters' storage systems, and republished as reusable scientific artifacts. This workload differs from interactive scientific curation, where mutable records and ad hoc inspection are often more important than random indexed throughput. We present Atompack, an append-oriented storage format and distribution layer designed around a simple workload: training pipelines usually consume complete molecular records, while the order of records is randomized by the learning algorithm. Atompack appends records efficiently during dataset construction, then commits an immutable index and serves records through a memory-mapped read path optimized for training. We compare Atompack with HDF5, LMDB, and ASE baselines representing array stores, key-value records, serialized records, and object-oriented databases. The benchmarks measure sequential reads, shuffled reads, shared-filesystem behavior, write throughput, and artifact size. On a representative 64-atom workload, Atompack is 96x faster than ASE LMDB on shuffled training-style reads while producing artifacts about 79\% smaller. The results indicate that serving complete molecule records, rather than field chunks or reconstructed objects, improves shuffled training throughput while keeping artifacts compact enough for public distribution.
Authors: Hsun-Yu Kuo, El Mahdi Chayti, Patrik Reizinger, Wieland Brendel, Martin Jaggi
Abstract: Looped Transformers, which repeatedly apply a shared transformer block, are an architecturally natural fit for variable-length algorithmic tasks. Although they can exhibit strong length generalization beyond the length of training sequences, this behavior is brittle, yielding high out-of-distribution (OOD) variance, even across well-performing in-distribution solutions. We trace this variance to the spurious correlation in simple algorithmic tasks between sequence length and number of loops. Introducing stochasticity into the number of loops during training sharply reduces OOD variance and stabilizes predictions across inference-time loop counts. To improve upon heuristic randomization schemes, we further analyze RL-Halting as a learned stochastic schedule and find that it generally improves the accuracy-stability trade-off. Across binary addition, Dyck-1, Unique Set, and Copy, learned stochastic stopping often improves this trade-off but can also stabilize a suboptimal computation. Our work suggests that "when to stop" should be treated as a training-time design choice, not merely an inference-time computation-allocation rule.
Authors: Huy Truong, Alexander Lazovik, Victoria Degeler
Abstract: Graph Neural Networks (GNNs) deployed in real-world systems typically have fixed weights, often leading to degraded performance under distribution shifts. This issue can be mitigated by conventional fine-tuning, but in many real-world cases, collecting labeled data is expensive or infeasible. A potential approach is Test-Time Training (TTT), which adapts models' weights using unlabeled test data, yet it is typically limited to shallow updates that affect only a subset of model parameters. We propose T3R, leveraging multiple Rotograd matrices to improve task affinity between the target and auxiliary tasks, essential for effective test-time training. T3R further introduces a rotation technique that reorients self-supervised signals using these matrices to create surrogate gradients for the target task, allowing deeper adaptation across nearly the entire architecture. Empirically, T3R reduces MAE by 0.172 points over standard inference in regression datasets and achieves at least 9.37% relative improvement on cross-domain OGB classification benchmarks compared to models without adaptation. These results highlight the potential to develop an adaptation pipeline for graph-based systems, particularly in settings where conventional fine-tuning or retraining is infeasible.
Authors: Sichao He, Yansong Zhang
Abstract: In a deep forecasting pipeline for fat-tailed financial returns at short horizons, which matters more - the backbone architecture or the output head? We compare four modern backbones (TimesNet, DLinear, N-BEATS, iTransformer) under three output heads: a point head, a single-Gaussian density head, and a Gaussian mixture density head with K=4 components. On S and P 500 monthly log-returns (1871-2023) under anchored walk-forward validation, the three heads form a strict gradient: switching from point to Gaussian improves CRPS by about 1.3 percent; switching from Gaussian to mixture adds a further about 2.4 percent. Switching between backbones, in contrast, changes CRPS by less than 1.5 percent on the point-head row and on the backbone-mean axis; density-head backbone spread is larger (up to 5.1 percent on the h=1 Gaussian row, driven by N-BEATS) but the head gradient (3.7 percentage points) still dominates. The Model Confidence Set on squared errors does not exclude any of the 12 variants at the 5 percent level: the head separates them only on distributional metrics (CRPS, pinball, coverage), not on squared error. The mixture head incremental value over a single Gaussian is largest in the highest-volatility regimes (13.9 percent in 1970s stagflation at h=12), confirming the mixture captures tail risk beyond what a unimodal Gaussian can express. The picture is horizon-dependent: the head dominates at short horizons, but at long horizons (h >= 6) the backbone re-takes the lead - an h-split we document against classical baselines (section 5.1). We conclude that on fat-tailed returns at short horizons, the head dominates the backbone, and the mixture distribution adds genuine value over a single Gaussian during crisis periods when risk-management decisions actually matter.
Authors: Huaijie Wang, Shusheng Xu, Yi Wu, Kaifeng Lyu
Abstract: A key step toward artificial general intelligence is to train models that can perform multiple tasks. In this paper, we study how to build such models by first training separate RL experts for individual tasks and then consolidating them via distillation, as an alternative to directly training a single model on mixed tasks. We show that off-policy distillation degrades in multi-task settings due to the mode-covering nature of forward KL: aggregating data from multiple tasks introduces a large number of behavioral modes that can exceed the student's capacity, forcing it to average across behaviors and leading to degraded performance. In contrast, on-policy distillation is mode-seeking but requires strong initialization. Inspired by these observations, we propose a two-phase approach: off-policy distillation followed by on-policy refinement. Evaluation across conversational agents and text-based games confirms that this two-phase approach matches single-task RL expert performance for each individual task, whereas off-policy or on-policy distillation alone fails to match this performance.
Authors: Shuchang Ye, Jinqiang Yu, Zhujun Xiao, Yajing Kong, Yist Y. Lin, Yang Ma, Jiaxi Liu, Xiaolei Xu, Zheng Yu
Abstract: Industry-scale video and live-streaming moderation imposes requirements that are difficult to satisfy with generic pretrained public models or external APIs, including adaptation to platform-specific data distributions, policy-specific objectives, and product-level safety constraints. As a result, platforms must undertake internal model development, naturally turning to shared public research for guidance. However, existing multimodal foundation-model studies primarily report architectures, training recipes, data scaling strategies, and benchmark results, but provide less systematic guidance on how failures should be localized and translated into targeted model-development interventions. Interventions are essential because deployment failures are rarely self-explanatory. Similar failures can originate from different causes. Without targeted interventions, improvement reduces to heuristic trial-and-error, where benchmark improvements are weakly attributable, and failures are difficult to trace to their underlying causes. To address this gap, we present a diagnostic methodology for industry-scale Audio-Visual-Language Models AVLM development. The methodology maps model failures into a taxonomy of observable failure signatures and links each class of failure to an intervention space. We instantiate this methodology across the development and alignment lifecycle of an AVLM foundation model for a large-scale video and live-streaming platform. The resulting system supports over 100 regions and is designed for noisy, ambiguous, and highly diverse content drawn from global platform traffic.
Authors: L. U. Abdullaev, F. Herrera, U. A. Rozikov, M. V. Velasco
Abstract: We introduce a data-driven probabilistic framework for learning systems based on Gibbs measures on hierarchical structures. Unlike standard empirical risk minimization, where a dataset is used to identify a single optimal parameter, our approach transforms the empirical loss function into an interaction potential defining an energy-based model. The resulting Gibbs distribution describes a family of equilibrium learning states generated by the data. We formulate the consistency conditions of the associated finite-volume distributions and derive nonlinear integral fixed-point equations whose solutions characterize the admissible learning states. These equations provide a rigorous connection between empirical loss landscapes and probabilistic inference on trees. For translation-invariant solutions, the problem reduces to the analysis of positive compact operators induced by data-dependent kernels, allowing us to establish existence and uniqueness conditions in the one-dimensional setting. Furthermore, we show that hierarchical learning systems may exhibit phase-transition phenomena: for certain empirical kernels on Cayley trees, multiple Gibbs measures emerge beyond a critical inverse temperature, corresponding to distinct equilibrium prediction regimes. Numerical experiments with non-separable kernels illustrate the appearance of multiple solution branches and demonstrate the coexistence of several data-induced learning states. Our results provide a new perspective on energy-based learning, where data do not merely determine an optimal model through minimization but define an entire probabilistic landscape of possible inference states.
Authors: Byeong Hoon Yoon
Abstract: We introduce Neural Subspace Reallocation (NSR), which reframes continual learning as memory management over parameter subspaces. Instead of treating Low-Rank Adaptation (LoRA) modules as disposable per-task adapters, NSR manages them as compressible, retrievable memory units on a frozen backbone through a recurring cycle: (1) compress learned LoRAs via SVD, (2) reserve them in a TaskKnowledgeBank, (3) recall related past LoRAs by embedding similarity to warm-start new or returning tasks, and (4) reallocate the active subspace accordingly, with distillation protecting prior tasks. We prove that in cyclic environments any memoryless allocation policy incurs cumulative regret Omega(T(M-1)Delta_switch) relative to a history-aware policy backed by the Bank (Theorem 1). Empirically, on Split-CIFAR-100 the Bank reduces cyclic recovery time by 10x, exactly as predicted, and on the heterogeneous 5-Datasets benchmark NSR achieves the highest accuracy and the least forgetting, about 9x closer to zero backward transfer than the memoryless heuristics. Crucially, we run a controlled study that isolates which component matters: holding the Bank fixed and varying only the allocation rule, we find that a simple similarity-based retrieval rule matches or beats a learned reinforcement-learning controller (recovering recurring tasks in 0 vs 1.8 steps and reaching equal accuracy). Our central, honest finding is therefore that the memory mechanism -- compression and similarity retrieval -- rather than a learned allocation policy, drives continual-learning performance under fixed capacity. A memory-budget analysis confirms the compressed Bank stays small -- 0.29 MB of parameter memory per task -- so a top-K retention cap bounds the total footprint while preserving fast recovery for retained tasks.
Authors: Ayan Pendharkar
Abstract: Joint-embedding predictive (JEPA-style) objectives learn representations by predicting future latents. In doing so they can discard features that are exogenous (uncontrollable by the agent) yet control-relevant, even when those features are trivially encodable. This occurs because the objective optimizes temporal predictability rather than control-relevance. We isolate this failure mode in a controlled 2x2 experimental design that varies feature controllability and relevance independently, using a predictability knob that decouples a feature's temporal predictability from its control-relevance. Comparing six objectives: reconstruction, JEPA, action-conditioned JEPA, controllability-based JEPA, inverse dynamics under a random policy, and reward-grounded JEPA, we observe that all evaluated reward-free predictive objectives leave the exogenous control-relevant feature near chance accuracy, while a reward-grounded variant retains it selectively. The remedy is label-efficient and robust: as little as 2% of reward-labeled transitions recovers the feature, the effect holds across two environments with different surface forms, and it persists across latent dimensions from 16 to 1024. Comparing the learned latent geometry against bisimulation theory's prediction, the JEPA latent realizes only a small fraction of the class separation a supervised reference attains.
Authors: Jun Wang, Quoc Phong Nguyen, Julien Monteil, Vu Nguyen
Abstract: With Large Language Model (LLM) pre-training and fine-tuning shifting its focus from data volume to data quality, quality data selection has emerged as a critical research topic. Existing online data selection methods for LLM training are typically "batch-constrained", limiting optimization to local utility within random batches. To overcome this, we propose GAIA (Global Adaptive Instruction tuning via GAussian processes), a framework that formulates data valuation as a global estimation process. GAIA employs Gaussian Process regression to model continuous utility manifolds across the semantic space, utilizing an adaptive strategy fusion mechanism to dynamically prioritize high-utility samples. By casting the strategy-posterior update as an instance of the classical fixed-share Hedge framework for tracking the best expert, we inherit a dynamic-regret guarantee that characterizes GAIA's robustness under non-stationary quality scores during training. Empirical evaluations on three datasets demonstrate that GAIA significantly outperforms state-of-the-art baselines like \greats, establishing our method as a scalable and robust solution for efficient instruction tuning.
Authors: Illia Makarov, Mykola Glybovets
Abstract: Retrieval-augmented generation built on knowledge graphs (Graph RAG) outperforms flat passage retrieval on multi-hop question answering by leveraging graph structure. In most existing systems, however, the question only sets the seed nodes; the subsequent traversal becomes "query-blind", depending solely on the graph structure. The exception is QAFD-RAG, which implements query-aware traversal via a flow-diffusion solver with combined edge re-weighting. This architecture requires loading the full graph into Python memory and an iterative solver with a variable number of iterations complicating integration with the graph database. We propose a spreading-activation method that achieves the same query-aware traversal with a single per-step semantic gate: the step weight is the cosine similarity between the candidate entity's description and the question, and the number of iterations is fixed. The whole retrieval procedure - seed mapping, propagation, top-K selection and context assembly - is expressed as a single Cypher query executed in one round-trip to Neo4j; the graph never leaves the database. On MuSiQue our method matches QAFD-RAG by exact match (32.80 vs 33.50) and outperforms the strongest purely-structural baseline in our comparison, HippoRAG, by 5.3 EM and 3.4 F1; on 2WikiMultiHopQA HippoRAG and QAFD-RAG retain an advantage due to their phrase-node architectures. An ablation with the gate disabled confirms that the gate is the source of a simultaneous F1 gain of 3.6 to 7.4 points and a retrieval-latency reduction by a factor of 1.5 to 4.9.
Authors: Sura Alhanouti, G\"uzin Bayraksan, Parinaz Naghizadeh
Abstract: Humans facing algorithmic decision systems have been found to ``game'' them by altering their input data (at a cost to them) in order to favorably change the algorithmic outcomes they receive (at a cost to the algorithm). The growing literature on strategic classification seeks to develop robust machine learning algorithms that account for, and reduce, unwanted strategic behavior. A limitation of these existing works is that they assume the cost of strategic behavior to be fixed and independent of the classifier's decision. In practice, however, manipulation costs evolve and depend on past algorithmic decisions: today's decisions influence tomorrow's costs. This paper proposes and analyzes a two-stage robust optimization framework with a decision-dependent uncertainty set to capture such dependencies. We highlight that awareness of policy-dependent costs not only reduces uncertainty, but also better curtails gaming of the algorithmic system over time.
Authors: Dario Fenoglio, Daniil Kirilenko, Martin Gjoreski, Marc Langheinrich
Abstract: Federated learning typically aggregates client updates using fixed or heuristic weighting rules, which can be suboptimal when clients have heterogeneous data and varying contributions to the global model. We propose a framework that refines client aggregation weights using Conditional Random Fields (CRFs). Our method defines unary potentials for individual clients and pairwise potentials for all client pairs, allowing the server to model both client-specific reliability and interactions between clients. The resulting CRF inference produces aggregation weights that enable better convergence of the global training objective. Experiments show that, under non-IID heterogeneity, our approach consistently improves performance over well-established federated learning baselines.
Authors: Matthias Blaschke, Daniel Kienzle, Zsuzsanna Koczor-Benda, Julian Lorenz, Rainer Lienhart, Fabian Pauly
Abstract: Generative molecular design is shaped by simple proxy benchmarks for drug-like properties and models pretrained on large pharmaceutical datasets. This combination yields strong benchmark metrics but limits transferability to domains structurally distinct from drug discovery. To overcome this limitation and drive discovery toward real, scientifically grounded targets, we introduce the Nanotechnology Molecular Optimization (NMO) Benchmark, which bridges machine learning (ML) and quantum materials science. NMO acts simultaneously as a rigorous testbed for the ML community and a discovery engine for nanotechnology research. The suite replaces proxy oracles with quantum simulations and introduces strict protocols that prioritize scientific utility over leaderboard-oriented overfitting. The physics-based NMO tasks impose hard structural constraints and rugged fitness landscapes, posing fundamentally new requirements on generative models. Notably, advanced molecular optimization methods underperform much simpler approaches on the NMO tasks. We develop a new baseline method identifying the critical components to solve the NMO tasks, including a novel representation for modeling structural constraints and a domain-agnostic pretraining strategy to eliminate pharmaceutical dataset bias. Our results surpass state-of-the-art physical properties and reveal previously unknown structural motifs, offering new insights for the nanotechnology community and demonstrating that ML can drive genuine scientific discovery.
Authors: Marcelina Marjankowska, Valerio Modugno, Paolo Barucca
Abstract: Hessian spectral properties are a standard tool in analysing neural-network training, with eigenvalues linked to sharpness, generalization, and optimization dynamics. Eigenvalues quantify curvature magnitude, while eigenvectors identify which parameters generate that curvature. In this work, we study how the leading Hessian eigenvectors evolve during training and how they affect the learning trajectories. We track the training dynamics of multilayer perceptrons on a classification problem and measure eigenvector dynamics through two complementary statistics: (i) displacement over time, inspired by analyses of glassy systems, and (ii) localization via the inverse participation ratio. The metrics are compared against a random null model of the Hessian induced by the architecture. Our results reveal clear optimizer-dependent behaviour. SGD leads to progressively more stable leading curvature directions, while Adam exhibits substantially stronger reorganization of eigenvectors throughout training. We also observe a localization phenomenon under Adam, where a small subset of parameters contributes disproportionately to the leading curvature directions. These results suggest that Hessian eigenvector dynamics capture key differences in optimizer behaviour and the resulting training trajectories.
Authors: Maximilian Bloor, Liyuan Xu, Hrvoje Stojic, Victor Picheny
Abstract: Modern engineering workflows increasingly rely on massive parallel simulation, driving the need for scalable, large-batch Bayesian Optimization (BO). Existing batch BO methods, however, incur large computational cost or rely on approximations that erode batch diversity. We propose B3O (Boltzmann Batch Bayesian Optimization), a framework that reframes batch generation as a pure sampling problem: drawing samples directly from the Boltzmann distribution defined by the acquisition function avoids the bottlenecks of existing large-batch methods. Theoretically, we prove that queries sampled from this distribution incur only negligible additional regret. Empirically, B3O outperforms existing batch BO methods on standard synthetic benchmarks and adapts robustly across complex applied tasks, including multi-objective electrode design and mixed-variable race car configuration.
Authors: Feifan Wang
Abstract: Detecting communities in heterophilic graphs -- where connected nodes often belong to different classes -- is hard for unsupervised methods: classical modularity and spectral methods are feature agnostic, while deep graph-clustering methods rely on contrastive or generative machinery that is opaque. We propose Curvature-Guided Sheaf Diffusion (CGSD), a fully unsupervised community-detection algorithm that uses the discrete Forman--Ricci curvature of each edge as its single topological signal, propagated through every stage of an end-to-end pipeline. CGSD makes three concrete contributions: (i)~a curvature-gated sheaf-diffusion encoder that gates edge messages by $\sigma(\kappa_e)$ and is trained from three label-free structural losses (modularity, anti-collapse, curvature-weighted reconstruction); (ii)~a curvature-aware spectral clusterer (CSpec) that re-weights the $k$-NN affinity of the embedding by $\sigma(\alpha \kappa_{e^*})$ before Ng--Jordan--Weiss; and (iii)~a unified label-free evaluation against nine truly-unsupervised baselines. On five heterophilic benchmarks (Cora, Cornell, Texas, Wisconsin, Chameleon), CGSD wins outright on Wisconsin and Chameleon and is competitive on the remaining three against nine unsupervised baselines. The gain over the strongest baseline is driven by the clusterer, not the encoder: on the same embedding, CSpec improves mean NMI from $0.091$ with $K$-Means to $0.107$ ($+15\%$, paired $t$-test $p=0.008$). The mechanism is interpretable: intra-community and inter-community curvature distributions are visibly separated. Code is open-sourced at https://github.com/woodywff/cgsd.
Authors: Boshko Koloski, Xiangjian Jiang, Senja Pollak, Bla\v{z} \v{S}krlj, Mateja Jamnik, Nikola Simidjievski
Abstract: Tabular foundation models have advanced deep learning for tabular data by delivering strong default performance across many small and medium tasks. Yet in niche domains, where data is scarce, high-dimensional, and shifted from the pretraining distribution, they may still fail to outperform carefully designed domain-specific methods. Many such domains also provide curated relational knowledge in the form of knowledge graphs and knowledge banks, but how to use this knowledge to improve and steer \textit{small} specialist tabular foundation models remains unclear. We address this problem through \textbf{Know}ledge-informed fine-tuning of \textbf{s}mall \textbf{T}abular \textbf{F}oundation \textbf{M}odels (\modelname). Specifically, we study nanoscale TabPFN- and TabICL-style variants, pretrained under controlled synthetic prior families and adapted using two complementary mechanisms: structural attention priors derived from knowledge graphs and parameter-efficient low-rank updates. We show that injecting domain-specific structural knowledge during fine-tuning yields meaningful gains over vanilla variants in specialist settings, whereas gains on general-domain tasks are marginal. We further observe that continual fine-tuning of frontier models can trigger collapse of pretrained knowledge and mechanisms.
Authors: Aaryam Sharma
Abstract: Speculative decoding accelerates language model inference by using a fast drafter to propose candidate tokens that are then verified by a larger target model. Existing theory largely studies the stochastic, distribution-preserving setting, where the goal is to exactly sample from the target distribution. In contrast, many practical systems use greedy decoding, relaxed acceptance rules, or tree-based candidate sets, where success is governed by local ranking and threshold events rather than exact distributional equality. We develop a theory for these regimes. We identify that many common acceptance criteria have rejection regions that can be characterized as lower level sets of the target distribution. For these, we characterize the exact KL divergence required for rejection yielding exact certificates and sharp margin-based bounds for strict greedy decoding, additive and multiplicative relaxed acceptance, top-(m) relaxed criteria, and entropy-thresholded acceptance. We then extend the framework to greedy tree decoding, deriving exact and margin-only certificates for when the target greedy token remains covered by the drafter's top-(m) candidates. Finally, we evaluate the resulting certificates on Qwen3 models, showing that relaxed and tree-based criteria substantially enlarge the region of certified acceptance, especially on decoding steps with low target model distribution margin. These results complement existing distribution-preserving analyses of speculative decoding by characterizing the deterministic local acceptance events common in practical inference systems.
Authors: Bertram Taetz, Hugo Albuquerque Cosme da Silva, Gabriele Bleser-Taetz
Abstract: Motion-language agents must possess the bidirectional capability to both understand human movement (motion-to-text, M2T) and generate it from natural language (text-to-motion, T2M). While foundational models have achieved strong performance in static settings, autonomous agents operating in dynamic environments must continuously incorporate new motion concepts -- such as novel athletic styles or specialized gestures -- without catastrophic forgetting of previously acquired skills. We investigate the stability-plasticity trade-off in bidirectional motion-language learning under sequential task exposure. Building on a frozen large language model backbone, we introduce low-rank adaptation (LoRA) variants designed to mitigate inter-task interference. We specifically propose mixture-of-experts architectures that utilize an autoencoder-based router to select task-specific experts at inference time, so that no task-label is needed. To evaluate these methods, we establish a reproducible five-task benchmark derived from HumanML3D through semantic clustering of motion descriptions. Our experimental results demonstrate near-zero forgetting across both M2T and T2M directions while maintaining high generation and captioning quality. Furthermore, we show that hard expert selection via routing significantly outperforms soft expert blending in quality metrics, indicating that preserving expert isolation is critical for maintaining performance in our continual learning setting. Finally, we observe that a divergence between token-level accuracy and downstream generation quality may occur, highlighting the need for more comprehensive evaluation protocols in future research on lifelong motion-language agents.
Authors: Daniyel Ayupov, Artur Markov-Tsoy
Abstract: We present DreamForge-World 0.1 Preview, a preview foundational world model for real-time interactive world simulation. The system adapts the LongLive 1 autoregressive video stack, itself derived from Wan2.1-T2V-1.3B, with a residual action pathway inspired by the Matrix-Game family. DreamForge-World 0.1 Preview focuses on a complementary axis to frontier-scale world simulators: low-compute adaptation, consumer-GPU runtime, and broad interactive capability coverage. It supports live keyboard and mouse control, multimodal initialization, mid-stream reprompting, dual-view operation, and minute-scale interactive rollouts at native 480p resolution, reaching up to 14 to 15 FPS FPS on a single RTX 4090 with a low memory footprint. By leveraging open video backbones and applying targeted adaptation runs, we build the preview system with high cost-efficiency. DF-World 0.1 Preview is not yet a memory-complete or frontier-quality world simulator, but demonstrates a practical low-compute route toward real-time controllable world-model previews on consumer GPUs.
Authors: Jan Stenner, Alexander Kilian, Sebastian Peitz, Hermann de Meer
Abstract: This paper studies Reinforcement Learning as an online controller for curtailment-aware workload shifting in wind-turbine-integrated high-performance computing (HPC) data centers. We introduce a reproducible fixed-day simulation framework with synthetic wind and price signals and delayed completion feedback, designed to be extensible toward more complex scenarios. As a controlled benchmarking basis, we then focus on the minimal case with one wind turbine and one co-located data center. In this setting, pure Reinforcement Learning exhibits a pronounced credit-assignment problem and tends to underuse free wind energy early in the day. We therefore evaluate two complementary countermeasures: optimization-based Imitation Learning and potential-based Reward Shaping. Across multi-seed training and a 200-day test set, Proximal Policy Optimization (PPO) and a Soft Actor-Critic (SAC) variant with an additional on-policy update routine achieve strong empirical performance among learned policies, and both Imitation Learning and Reward Shaping provide improvements in relevant configurations. A performance gap to the optimizer remains, which is expected: the optimizer plans offline with full-day foresight, whereas Reinforcement Learning must decide online from current observations without future realizations. The benchmark and ablation results provide a transparent basis for extending the approach toward richer multi-site and continuous-time scenarios.
Authors: Yousuf Moiz Ali, Jaroslaw E. Prilepsky, Jo\~ao Pedro, Sasipim Srivallapanondh, Antonio Napoli, Sergei K. Turitsyn, Pedro Freire
Abstract: We propose a hybrid active-online learning framework for label-efficient concept drift adaptation in optical network failure detection. Using margin-based selective labeling, our method achieves nearceiling accuracy and AUC scores while querying only 3.4% of streaming samples, with negligible latency overhead compared to static inference.
Authors: Marek Polewczyk, Maximilian Schambach, Marco Spinaci, Sam Thelin, Johannes H\"ohne
Abstract: We introduce FlexTab, a flexible encoder-decoder architecture for in-context learning on tabular data that pairs a single, task-agnostic encoder with a suite of task-specific decoders. Unlike existing tabular in-context learners, which entangle feature representations with a specific prediction target, our design produces target-agnostic row embeddings that can be leveraged across a wide range of downstream tasks within a table-native in-context learning setup. We demonstrate this flexibility on six distinct problems: classification, regression, anomaly detection, clustering, entity matching, and entity classification in relational databases. Both the encoder and the task-specific decoders are trained on a large corpus of real-world, unlabeled tables. FlexTab achieves state-of-the-art performance on classification, regression, anomaly detection and entity matching, while remaining competitive with specialized models on entity classification in a relational setting. These results demonstrate that a single shared encoder, paired with task-specific decoders, can serve as an effective general-purpose backbone for diverse tabular prediction problems. The inference code and checkpoints will be made publicly available at https://github.com/SAP-samples/flextab.
Authors: Haisen Luo, Yiwei Liu, Haoning Wang, Dan Liu, Junxi Yin, Haotian Wang, Lei Zhang, Xiaoyu Tian, Shuaiting Chen, Yuansheng Song, Baoyan Guo, Xiongfei Yan, Bolan Yang, Chengwei Liu, Ming Cui, Jiong Chen
Abstract: Enabling large language models to achieve stable self-improvement without external expert supervision remains a central challenge in complex reasoning tasks. Existing self-distillation and reinforcement learning methods lack explicit mechanisms for tracking problem-level learning progress and adapting optimization strategies accordingly. Consequently, training may over-optimize easy problems, receive weak supervision from hard problems, and fail to sufficiently explore borderline cases. To resolve these issues, we propose DRIFT, an online self-evolution policy optimization framework for large language models. DRIFT regulates the model's self-improvement process through the joint use of Difficulty Routing and Rhythm Gating. The former identifies the model's learning state at the problem level and dynamically allocates self-distillation and reinforcement learning signals, while the latter refines policy updates at the token level, concentrating exploration on critical reasoning positions. By further incorporating a success buffer and a two-stage curriculum learning strategy, DRIFT preserves high-quality historical experience while progressively guiding the model from reliable behavior acquisition toward stable policy evolution. Evaluated across five benchmarks and three model scales, DRIFT surpasses the peak performance of both GRPO and SDPO across all evaluated metrics. On the average score over the five benchmarks, DRIFT achieves 79.5$\%$, outperforming GRPO by 9.5$\%$ and SDPO by 7.5$\%$, establishing a new state-of-the-art result. Notably, on ToolUse, DRIFT reaches an accuracy of 79.2$\%$, improving over GRPO by 13.5$\%$ and SDPO by 10.7$\%$, setting a new state-of-the-art and substantially outperforming all concurrent methods.
Authors: Kuangpu Guo, Qingyan Zheng, Jian Liang, Yongcan Yu, Zilei Wang, Ran He, Tieniu Tan
Abstract: The training-free integration of expert models via model merging has exposed significant security risks, enabling free-riders to combine specialized models without authorization. Recent works propose parameter-level defenses that employ linear parameter transformations to neutralize this threat. In this paper, we systematically analyze such defenses and reveal that their protected task vectors are inherently small in magnitude. Consequently, the protected weights remain overwhelmingly dominated by the pretrained model. Based on this observation, we designate the pretrained model as a static reference anchor and propose the Anchor-Guided Attack (AGA) to circumvent existing safeguards. Specifically, AGA aligns the protected model with this anchor to recover the transformation matrix analytically. Extensive evaluations validate that AGA consistently bypasses both individual and composite defenses under realistic defense-agnostic scenarios. Furthermore, we provide Anchor-Repulsive Fine-tuning (ARF), a defense method to mitigate the anchor dominance leveraged by AGA. Empirical results confirm that ARF effectively defeats the proposed attack. Our code is available at https://github.com/krumpguo/secure-merge-attack.
Authors: Zheming Fu, Ruizhe He, Wei Shang, Xiaoxiao Ma, Lei Wang, Chang Liu, Siming Fu
Abstract: Aligning generative flow models on continuous spaces via online reinforcement learning is constrained by intractable trajectory likelihoods. Existing density-approximated policy gradient methods rely on stochastic SDE samplers to construct tractable transition kernels, which introduce training-inference inconsistencies and necessitates Classifier-Free Guidance (CFG). While implicit frameworks such as DiffusionNFT directly optimize forward-process velocity fields, its heuristic fixed-magnitude corrections prevent optimization strength from relative intra-group quality. We propose \textit{Flow Advantage-Weighted Rectification} (\textbf{FlowAWR}), a paradigm that recasts continuous generative policy optimization as supervised regression toward a theoretically optimal velocity field. Starting from the optimal policy of a KL-constrained reward maximization, FlowAWR derives the optimal velocity field that admits a magnitude-aware, advantage-weighted rectification form, yielding SDE-free optimization and CFG-free generation. In comparative evaluations on SD3.5-Medium, FlowAWR achieves improved alignment performance alongside a 2$\times$ to 5$\times$ convergence acceleration over DiffusionNFT (e.g., reaching a 24.12 PickScore in 1.2k steps, versus 23.82 in 2.0k steps for DiffusionNFT and 23.50 in $>$4k steps for FlowGRPO). Under multi-reward constraints, FlowAWR sustains generation quality, satisfying structural rules while maintaining stable out-of-domain performance.
Authors: Pedro Jim\'enez-Gonz\'alez, Miguel C. Soriano, Lucas Lacasa
Abstract: Training in artificial neural networks can be viewed as a trajectory evolving through a high-dimensional loss landscape. However, the large number of trainable parameters makes the direct analysis of these dynamics challenging. In this work, we treat such training trajectories as temporal networks and apply recently proposed strategies for the scalar embedding of temporal networks. We investigate whether such a scalar embedding provides a meaningful low-dimensional representation of neural network training dynamics. Using a multilayer perceptron trained on the MNIST classification task, we show that the embedding preserves the main dynamical features observed in the original parameter space, including the emergence of sensitivity to initial conditions for specific learning rate regimes and an accurate reconstruction of the network's maximum Lyapunov exponent. We then use the embedded scalar trajectory to define a characteristic time, analogous to a Lyapunov time, after which the exponential separation between initially close embedded trajectories saturates. This characteristic time captures the typical decorrelation time between initially close network trajectories in the original high-dimensional system. Finally, we investigate the statistical organization of asymptotic training states through a spacing observable defined in the embedded space. We find that the distributions of rescaled asymptotic spacings collapse onto a common form across initial conditions and are compatible with a skew lognormal distribution. Altogether, our results suggest that scalar low-dimensional embeddings provide a useful framework for studying and visualizing the dynamical properties of neural network optimization trajectories.
Authors: Tianyu Wang, Gourav Rattihalli, Aditya Dhakal, Junbo Li, Zhiwei Ren, Dejan Milojicic, Longfei Shangguan
Abstract: Dynamic sparse attention (DSA) accelerates long-context LLM decoding by attending to only the top-K KV blocks relevant to each query, but it introduces a serialized selection-to-attention dependency that emerges as a new latency bottleneck. We present PRR, a speculate-reuse-repair runtime that exploits temporal locality in DSA selections to predict likely blocks, speculate the attention over them while selection is in flight, and incrementally repair missed blocks once the true selected set is known. PRR uses a lightweight EMA-based predictor, a profiling-guided speculation budget that keeps speculative work off the critical path, and a FlashAttention-based repair kernel that folds missed blocks into the partial attention state using online-softmax statistics. Across long-context benchmarks and representative DSA methods, PRR reduces per-token decoding latency by up to 40% while preserving downstream task accuracy. Github: https://github.com/Tianyu9748/Incremental_FlashAttention
URLs: https://github.com/Tianyu9748/Incremental_FlashAttention
Authors: Lennart Purucker, Andrej Tschalzev, Nick Erickson, Gioia Blayer, David Holzm\"uller, Alan Arazi, Alexander Pfefferle, Mustafa Tajjar, Ga\"el Varoquaux, Frank Hutter
Abstract: Foundation models for predictive machine learning on tabular data have recently gained significant traction in academia and industry. Research communities across disciplines are increasingly evaluating tabular foundation models on diverse datasets and tasks. However, these task- and discipline-specific evaluations remain largely inaccessible to model researchers because benchmark software and evaluation protocols are fragmented. As a result, model researchers rely on standard benchmarks, which are mostly defined for tasks where tabular foundation models already excel. The most challenging scenarios are excluded, limiting meaningful progress in the field by focusing on marginal improvements on IID data rather than on broader, more demanding challenges. To overcome this, we introduce BeyondArena, the first unified holistic benchmark for tabular data that supports diverse task types (IID, temporal, grouped), across sample size and feature dimensionality scales, with diverse feature types (with text, with high cardinality) from a broad range of disciplines. To enable unified benchmarking beyond standard benchmarks, we introduce Data Foundry, a Python framework and metadata schema for curating tabular datasets for predictive machine learning. Our results across 11 models and 142 curated datasets show that existing tabular foundation models excel on tiny- to medium-sized IID data, while traditional tree-based and deep learning models still dominate on non-IID, large, and high-dimensional datasets. BeyondArena guides model research for the most demanding challenges in tabular data, enabling progress towards truly foundational tabular models.
Authors: Alexis Jacq, Guillaume Couairon, Valentin De Bortoli, Quentin Berthet, Arnaud Doucet, Romuald Elie
Abstract: Distillation and Reinforcement Learning (RL) fine-tuning are the primary pillars of diffusion post-training. While traditionally studied in isolation, the interaction between these phases remains poorly understood, and in particular how fine-tuning impacts the generative quality of distilled models. We introduce Rewarded Moment Matching Distillation (RMMD), a novel framework that simultaneously distills diffusion models and maximizes a reward function. RMMD preserves the high-fidelity ``naturalness'' characteristic of advanced distillation (such as 8-step Moment Matching) by adapting the sampling loop for on-policy training and repurposing the distillation loss as a proxy for integral KL regularization. By evaluating the FID-Reward Pareto fronts on ImageNet, we demonstrate that RMMD achieves superior trade-offs compared to single-step baselines (DI++) and multi-step competitors (DRaFT, HyperNoise). Finally, we apply RMMD to GenCast, a state-of-the-art weather forecasting model, to distill it while optimizing the Continuous Ranked Probability Score (CRPS) metric. The resulting distilled model achieves a 7.5x speedup while outperforming the teacher model on 93% of target weather variables, and being better calibrated. This proves that RMMD scales to complex, high-dimensional scientific domains.
Authors: Jinda Lu, Kexin Huang, Junkang Wu, Shuo Yang, Jinghan Li, Chiyu Ma, Shaohang Wei, Xiang Wang, Guoyin Wang, Jingren Zhou
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) is a powerful paradigm for improving the reasoning capabilities of large language models (LLMs). However, existing RLVR methods typically rely on on-policy optimization from scratch, resulting in high sampling costs and inefficient utilization of accumulated experience. As model capabilities and policy behaviors evolve during training, recent attempts to reuse experience via fixed reasoning trajectories further suffer from policy mismatch. Motivated by these limitations, we argue that experience in RLVR should not be reused as fixed reasoning trajectories, but instead expressed in a policy-adaptive manner. In this work, we propose Experience-Augmented Policy Optimization (EAPO), which leverages a prior RL-optimized policy as an action-level experience prior and selectively injects experience at critical decision points during rollout. To ensure stable and unbiased learning from experience-augmented rollouts, EAPO further incorporates an adapted importance sampling scheme. Experiments on using Qwen-2.5-math 7b and Qwen-3-8B on five different benchmarks demonstrate that EAPO consistently improves reasoning performance over state-of-the-art RLVR methods.
Authors: Ran Canetti, Shafi Goldwasser, Or Zamir
Abstract: With the increasing adoption of Machine Learning, protecting model ownership has become an essential challenge. We initiate a formal study of Proof of Ownership for machine learning models: under what conditions can one prove that a stolen model originated from a particular creator? We model proofs of ownership as a game among three parties: a model owner, a thief, and a judge. The owner transforms the original model into a slightly perturbed model together with a proof of ownership. The thief then obtains the transformed model and attempts to minimally modify it so that it remains useful but escapes detection as owned by the model owner. Finally, the judge receives a model and a proof of ownership, and must decide whether the given model is a modified version of some model created by the model owner, or else the given model was developed independently. Our main result is a dichotomy for classifiers in the black-box setting: Under standard cryptographic assumptions, ownership of models for some concept class can be proven in the above sense {\em if and only if} the concept class is not self-correctable, in a sense close to that of Blum, Luby and Rubinfeld, STOC'90. The result is constructive and extends, with some variations, to a number of related settings.
Authors: Liang Wang, Zhaoyang Xi, Zekai Xiang, Heng Meng, Qishan Zhang, Pingyi Zhou, Jin Liu, Litao Chen
Abstract: Text-to-3D systems can now synthesize a model from a single sentence, yet the result is a shape to render, not a design to edit. We present Arko-T, a 4B-parameter text-to-design model that maps natural-language intent directly into executable, parametric CAD programs. Rather than optimizing for code executability alone, Arko-T aligns every stage of the pipeline to a formal notion of design state, so that data curation, code normalization, and execution-grounded supervision all work to preserve the features, parameters, and construction logic that make a CAD artifact editable. Benchmarked against seven frontier LLMs across 12 metrics, Arko-T attains the best score on 8 and the second-best on 3 more, at roughly one-tenth the per-benchmark cost. The results suggest that targeted design-level training at moderate scale can match frontier general-purpose models on structured CAD generation.
Authors: Haobo Yang
Abstract: We present a complete formal proof that transformer architectures, when their internal update mechanisms satisfy a Bayes joint-distribution condition, implement exact Bayesian posterior inference. Working within the measure-theoretic kernel framework, we define a hierarchy of abstractions -- from the core Bayesian transformer, through semantic transformers with explicit update kernels, to full transformer blocks with QKV/attention/residual/MLP pipelines, and finally multilayer stacks -- and prove at each level that the Bayes joint semantics implies the update kernel equals the posterior almost everywhere. For the block-level architecture, we derive the explicit Bayes formula through Radon-Nikodym differentiation and prove its normalization. We additionally prove that the softmax attention mechanism induces a valid probability distribution over keys, establishing the bridge between the abstract kernel framework and concrete attention implementations. The framework makes no architectural assumptions beyond the Markov kernel structure and exposes explicit conditions under which a transformer block is provably Bayesian. In essence, when this joint distribution condition is satisfied, the forward computation of a Transformer is formally equivalent to a rigorous Bayesian posterior update.
Authors: Huaqing Zhang, Jingchu Gai, Juno Kim, Bingbin Liu, Andrej Risteski
Abstract: Online imitation learning (IL), particularly on-policy distillation, has emerged as a strong LLM post-training approach, often outperforming offline supervised fine-tuning (SFT). Yet a principled understanding of when and why online interaction helps remains unclear. In this work, we challenge the view that error accumulation is the main source of online IL's advantage, and instead show that the benefits of online interaction depend critically on whether the setting is realizable, i.e., whether the student policy class can represent the expert policy. Under realizability, we empirically find that offline IL already matches expert performance. In contrast, in non-realizable (misspecified) settings, we prove that offline IL encounters an information-theoretic bottleneck even when horizon $H=1$, and propose a structural characterization of misspecification relative to the reward, under which online IL provably achieves high performance despite a large distributional mismatch between the expert and student policies.
Authors: Max Fomin, Elad David, Amit LeVi
Abstract: Probes on model internals could help monitor agentic systems if they identify harmful text or tool actions before those actions are generated. We ask when an internal readout supports this stronger pre-action claim, rather than merely describing the prompt, construction contrast, or current trajectory. We test three methods across three model families: a Qwen2.5-Coder-32B-Instruct fine-tune/base direction, Llama-3.1-8B-Instruct probes at the last token of unsafe prefills, and Gemma-3-27B-IT emotion-concept vectors used for projection and steering in a blackmail tool-action scenario. Across these cases, construction validity, semantic legibility, and steering effects do not become robust pre-action monitors: each is undercut by a generalization or specificity check. The Qwen direction separates fine-tune from base at AUC 1.000, yet crosses its threshold on 0/143 audited pre-assistant turn contexts and on 0/342 Qwen prefill rows where the model continues the unsafe trajectory. The Llama features decode prompt domain almost perfectly (AUC 0.999), while the best future-behavior probe reaches AUC 0.801 and only +5.1 pp accuracy lift over majority; single-source cross-domain transfer is non-positive on five of six ordered pairs. Gemma emotion projections are semantically meaningful, but a shared-prefix minimal pair has indistinguishable states before the first differing input, and steering specificity weakens against unrelated learned directions such as cats}, weather, sports, and geography. We contribute a methodology for converting internal-readout claims into pre-action tests, and report scoped negative results: monitor claims must survive both scenario/action generalization and concept-specificity controls. Code is released at https://github.com/maxf-zn/misalignment_monitoring
Authors: Myung Jun Kim, Maximilian Schambach, Frank Essenberger, Andre Sres, Johannes H\"ohne
Abstract: Tabular data dominate the landscape of data science, increasingly attracting innovative machine learning models and tailored benchmarks. Yet, little is known for enterprise data, where tables constitute the backbone of business operations. To broaden the benchmarking landscape for business applications, this work aims to actualize the characteristics of enterprise data by providing an analysis of data statistics and performance measurements of tabular models such as TabPFN, TabICL and ConTextTab. Through our analysis, we find enterprise data markedly differ from tabular benchmarks and we demonstrate that a tabular model that performs well on typical tabular benchmarks may perform poorly on real world enterprise data -- and vice versa. This lack of generalization underlines the need for additional benchmarks with enterprise-grade characteristics.
Authors: Muhammad Hamza (Indian Institute of Technology Kharagpur), Ayush Goel (Indian Institute of Technology Kharagpur)
Abstract: The standard convergence analysis of mini-batch stochastic gradient descent (SGD) models gradient noise using a single variance term that treats all parameter directions equally, ignoring the fact that noise in high-curvature directions has less impact because learning rates are already constrained there. We introduce Curvature-Weighted Gradient Diversity (CWGD), a geometry-aware measure that weights per-sample gradient diversity by the inverse square root of the Hessian, providing a tighter proxy for the effective optimization noise. For strongly convex quadratic objectives with diagonal Hessians and isotropic noise, we prove that a CWGD-modulated cosine learning-rate schedule can reduce the asymptotic optimization error floor by up to a factor of two compared with standard cosine annealing. We implement this idea as CWGD-Cosine using a Hutchinson-based diagonal Hessian estimator that is exact for quadratic objectives. Across a range of condition numbers, batch sizes, and noise structures, CWGD-Cosine consistently achieves approximately 20% lower final optimization error than standard cosine annealing while incurring negligible overhead in the quadratic setting. We also identify and correct a degenerate curvature estimator, analyze the robustness of the proposed estimator, and explicitly discuss the limitations of the method, including Hessian staleness in non-convex optimization. These results establish CWGD as a principled geometry-aware measure of optimization noise and motivate future extensions to more general learning problems.
Authors: Songxin Zhang, Zejian Xie, Zhuoyang Song, Cong lin, Junyu Lu, Jiaxing Zhang, Bingyi Jing
Abstract: In this paper, we aim to combine the advantages of existing sequence parallelism paradigms and overcomes their drawbacks, the most serious of which is the incapability to correctly compute causal attention on the hybrid-context packed sequences, in a stronger sequence parallelism framework. The practical technique of packing sequences for efficiently pretraining and fine-tuning large language models causes cross-contamination problem in attention computation, which can be effectively solved when no parallelism in the sequence length dimension is taken. However, in sequence parallelism, existing approaches either ignore the scenario of hybrid-context sequences or conversely sacrifice and limit parallelism degree for supporting the scenario. To this end, we innovatively propose an efficient Sequence-Aware Parallelism algorithm to conquer the obstacles of intensive tensor transmission and partial attention computation across multiple device groups. Our algorithm utilizes JIT (Just-In-Time) compilation to optimize the communication strategy of all device groups in NCCL level. Further, we integrate existing sequence parallelism paradigms into a Hierarchical Sequence-Aware Parallelism framework which benefits from our sequence-aware algorithm. We additionally elaborate on the memory and communication overhead management of the hierarchical framework to optimize its performance. Through multiple experiments, we demonstrate that our proposed approach outperform other state-of-the-arts sequence parallelism approches in multiple metrics.
Authors: Thai-Khanh Nguyen, Ngoc-Bich-Uyen Vo, Thieu N. Vo, Tan M. Nguyen, Cuong Pham
Abstract: State space models (SSMs) have emerged as efficient linear-time alternatives to attention for long-sequence modeling. However, existing SSMs often suffer from instability and memory degradation over extended horizons due to poorly conditioned first-order updates and unbalanced update geometry. We introduce MuonSSM, a general framework that stabilizes SSM training by explicitly conditioning the geometry of memory updates rather than the recurrent transition matrix. MuonSSM augments SSMs with a momentum-based pathway and a lightweight Newton Schulz transformation on low-rank input injections, yielding bounded and spectrally conditioned updates while preserving parallel scan complexity. Theory shows that MuonSSM improves gradient propagation, mitigates spectral amplification, and enriches memory representations over long horizons. Extensive experiments across language, vision, and time-series benchmarks show consistent gains in accuracy, robustness, and long-context performance when integrated into diverse SSM backbones. These results establish geometric conditioning of updates as a principled pathway to stable, scalable sequence modeling.
Authors: Davide Domini, Gianluca Aguzzi, Ivana Dusparic, Danilo Pianini, Mirko Viroli
Abstract: Federated Learning often suffers under non-independently and identically distributed data, where a single global model may fail to represent the diversity of client distributions. Clustered Federated Learning mitigates this issue by training specialized models for groups of similar clients, but existing approaches often couple cluster assignment with the main training loop, increasing computational and communication costs. We propose a lightweight clustering approach based on Random Network Distillation. Each client trains a compact Random Network Distillation predictor on its local data and uses its prediction error as a novelty signal to estimate similarity with other clients. This enables the discovery of meaningful client groups before federated training, without sharing raw data or repeatedly evaluating the main model. Crucially, the resulting federations emerge from local novelty estimates at runtime, making the method suitable for autonomous large-scale distributed systems where neither the number of clusters nor the collaboration structure can be specified a priori. Overall, by decoupling clustering from learning, the method provides a task-agnostic and efficient mechanism for autonomous collaboration under non-independently and identically distributed data.
Authors: Mark Rhee, Jamie Simon, Dhruva Karkada
Abstract: Matrix factorization (i.e., problems of the form $\min_{\mathbf{P},\mathbf{Q}} \|\mathbf{M}^\star - \mathbf{P}^\top\mathbf{Q}\|_\mathrm{F}^2$) is a minimal learning problem that exhibits both nonlinear parameter dynamics and representation learning. In this setting, we study how parameter trajectories under the Muon optimizer differ from those of gradient descent. We identify three main dynamical differences: 1) Muon avoids the slow saddle-to-saddle dynamics from small initialization. Muon instead learns all the top modes of $\mathbf{M}^\star$ at the same rate, with the smaller modes converging first. 2) Muon remains stable even when the learning rate exceeds the critical threshold set by the local loss sharpness. This frees the learning rate from the condition number of the problem, enabling rapid convergence via exponential learning rate annealing. 3) Once the weights are aligned with each other and the target, Muon flow conserves the matrix quantity $\sqrt{\mathbf{P}^\top \mathbf{P}}-\sqrt{\mathbf{Q}^\top \mathbf{Q}}$, while gradient flow is known to conserve the matrix $\mathbf{P}^\top\mathbf{P} - \mathbf{Q}^\top\mathbf{Q}$. Despite having distinct conserved quantities, both optimizers find the so-called \textit{balanced} solution from vanishing initialization. When training from small random initialization, the weights spontaneously align early in training. We derive the alignment rates in simple settings and show that they predict the empirical alignment rates in general. Finally, we exploit structural properties of Muon to construct a learning rate schedule that achieves near-perfect alignment in only two optimization steps.
Authors: Srinivasa Rao P., Vangmayi P Reddy
Abstract: Why overparameterised deep networks generalise so remarkably well remains one of the most stubborn open questions in machine learning theory. Classical frameworks like VC dimension and Rademacher complexity predict catastrophic overfitting in modern models, leaving a massive theoretical gap between theory and reality. In this paper, we bridge this divide by introducing a unified framework that links information theory, topology, and statistical mechanics to map the hard limits of deep learning. Central to our approach is the Entropic Learnability Horizon (ELH): a fundamental law stating that a network can only truly learn a target function if the Shannon entropy of the data manifold outpaces the topological entropy of the function's decision boundary, balanced by the von Neumann entropy of the network's weight space. We establish the Shannon-Topological Bottleneck Theorem, proving that when a target boundary's geometric complexity exceeds this informational horizon, the system undergoes a sudden entropic phase transition. It falls into a state of Informational Frustration - a glassy, rigid memorization phase where generalization becomes thermodynamically impossible. Using this lens, we show that the enigmatic phenomenon of "grokking" is actually an Entropic Release, where weights abruptly reorganise to unlock the bottleneck. Finally, we translate this theory into practice with Entropic Gradient Descent (EGD), an optimization algorithm that dynamically manages weight entropy to keep learning on track. Ultimately, this work repositions entropy not just as a tool for tracking uncertainty but as the fundamental physical currency that dictates whether a machine can learn.
Authors: Woojoo Na, Jennifer Dy
Abstract: Covariance matrices serve as compact descriptors of feature distributions in many machine-learning pipelines, including domain adaptation and Gaussian embeddings. Under a centered Gaussian approximation, the unregularized Wasserstein-2 optimal-transport (OT) discrepancy admits a closed form on covariances given by the Bures-Wasserstein (BW) objective on the symmetric positive definite (SPD) cone. We propose ITSPACE (Iterative Transport for Stable Proximal Alignment of Covariance Embeddings), a proximal majorization-minimization method that directly optimizes this exact BW objective through closed-form updates in a square-root factorization. In exact arithmetic, each iteration satisfies a sufficient-decrease inequality for the BW objective; under inexact polar computations, we provide an explicit certificate-gap bound controlling deviations from exact descent. The resulting iterations preserve PSD structure by construction and naturally support rank-restricted factors, making ITSPACE well-suited as a lightweight inner-loop primitive in settings where adaptation must be performed from unlabeled target batches under strict step and compute budgets. Across real-world covariance-alignment benchmarks, ITSPACE reaches low-BW-gap solutions substantially faster than BW-gradient descent, methods based on other covariance geometries, and entropically regularized sample-OT baselines.
Authors: Matan Schliserman, Gon Buzaglo, Itay Evron, Daniel Soudry
Abstract: We characterize weakly regularized continual classification in homogeneous models as sequential projections onto task margin sets. This result generalizes prior analyses restricted to either stationary (single-task) deep models or continual linear models. We show that global convergence generally fails, even for simple models linear in data but nonlinear in parameters. Nevertheless, by leveraging results from nonconvex projection theory, we identify regularity properties of homogeneous deep networks that guarantee local linear convergence under random and cyclic task sequences. Finally, we extend our analysis to continual regression, unifying the framework for homogeneous models.
Authors: Kan Zhu, Mathew Jacob, Chenxi Ma, Yi Pan, Stephanie Wang, Arvind Krishnamurthy, Baris Kasikci
Abstract: Coding agents are rapidly becoming a major application of agentic LLMs, but serving them efficiently remains challenging. Progress on this challenge requires understanding real workload patterns, yet the data needed for such analysis is largely absent. Existing public traces and benchmarks do not capture real, day-to-day coding-agent usage across multiple agents and model families for serving-system analysis. To help fill this gap, we collect and release a trace of roughly 4,300 coding-agent sessions, containing about 350,000 LLM steps and 430,000 tool calls from our own day-to-day use of Claude Code and Codex. Our analysis shows that coding-agent workloads feature long autonomous loops, long contexts with short outputs, diverse and heavily-tailed tool calls, and high but imperfect prefix cache hit rates. These findings point to concrete opportunities for optimizing serving, including lower-overhead tool calling, append-length-aware prefill, semantic-aware tool-latency prediction, and improved KV-cache management around human-paced gaps. We release the dataset, trace collection pipeline, and analysis code at https://github.com/uw-syfi/TraceLab.git the project website is https://tracelab.cs.washington.edu.
URLs: https://github.com/uw-syfi/TraceLab.git, https://tracelab.cs.washington.edu.
Authors: Ting-Wen Ko, Jonas Geiping
Abstract: Large language models (LLMs) are increasingly used in open-ended multi-agent settings, but the long-run dynamics of model--model interaction remain poorly understood. We study whether open-ended LLM discussions exhibit attractor-like behavior, i.e. topic-independent stable sets of behaviors which conversations settle into. Across 7 LLMs and 20 controversial topics, we compare self-play and mixed-play dyadic debates, tracking trajectories in representation space, discourse traits, and stances. We find self-play trajectories to be model-specific attractors that draw their conversation partners asymmetrically in mixed-play debates, influencing the other models' stylistic choices and behavior. For example, Claude Haiku is a strong attractor of other models in latent space, corresponding to other models taking on its traits like metacommentary, and models like GPT-4.1 nano are especially malleable. Our results suggest that open-ended LLM interactions are partially predictable from model-specific attractors, but shaped by structured and asymmetric partner influence. Overall, our analysis sheds some light on the complex behavior of open-ended multi-agent interaction, which we hope is helpful in designing, predicting, and monitoring autonomous agentic systems in the real world.
Authors: Mohit Raghavendra, Anisha Gunjal, Aakash Sabharwal, Yunzhong He
Abstract: We introduce SWE-Interact, a new testbed for evaluating coding agents on multi-turn, interactive, user-driven software engineering tasks. Existing frontier SWE benchmarks typically provide complete requirements upfront and evaluate agents on autonomous implementation. In contrast, SWE-Interact places agents in a realistic developer workflow: a carefully designed user simulator starts with vague or incomplete instructions, progressively reveals requirements, inspects the agent's workspace, and provides targeted feedback, revisions, and new constraints until the full task goal has been handed off. Grounded in large-scale studies of real coding-agent interactions, this setup tests whether agents can discover user intent, adapt to evolving requirements, and build on their own prior work. Across a suite of frontier and open-weight models, we find that strong performance on single-turn SWE tasks does not reliably transfer to multi-turn, user-driven workflows: the best-performing models solve roughly 50% of single-turn baseline tasks but only 25% of the corresponding SWE-Interact tasks. The strongest models in our evaluation, including Opus 4.8 and GPT 5.5, start strong even in the face of vague initial instructions, persevere until all the requirements are surfaced by the user, integrate them better and write clean code. However, they still suffer from over-agentic coding, forgetting requirements and technical mistakes. Weaker models start poorly under ambiguity, give up early, forget or ignore instructions and rework their code more. Overall, SWE-Interact measures an orthogonal, real-world capability axis for frontier model development: interactive goal discovery and iterative refinement with a user in the loop.
Authors: Sivaraman Balakrishnan
Abstract: Many modern generative modeling methods, including diffusion models, normalizing flows, and flow matching, estimate transport maps or plans between distributions without explicitly targeting an optimal transport (OT) map. In applications like generative modeling, the transport cost itself is irrelevant, and this makes it natural to target maps which are more tractable from either a statistical or computational standpoint. In this short note, we formalize the task of estimating any valid transport map in a rigorous minimax framework. One consequence of this framing is that it yields sample complexity lower bounds for any method whose learned object is evaluated as a transport map or plan, including flow matching and diffusion-based generative models, in settings where direct analysis would be challenging due to the analytic complexity of the methods and their target maps. We observe that, under standard, though strong, stability assumptions from the OT literature, estimating any valid transport map is statistically as hard as estimating the OT map. We complement these results with some examples showing that when these stability assumptions fail, alternative transport maps can be learned substantially more accurately than the OT map. Our minimax framing provides a rigorous foundation for understanding the statistical limits of modern transport-based generative methods and clarifies when targeting sub-optimal maps can provide real statistical advantages.
Authors: Haoran Jin, Xiting Wang, Shijie Ren, Hong Xie, Defu Lian
Abstract: Sparse Autoencoders (SAEs) are widely used to interpret large language models by decomposing activations into sparse, human-understandable features, but scaling to large dictionaries exposes fundamental challenges. Systematic studies reveal pervasive feature splitting that fragments coherent concepts into non-atomic latents and widespread feature absorption that creates arbitrary exceptions in general features, severely compromising latent reliability. These issues stem from inconsistent latent assignment across samples: without cross-sample constraints, per-sample optimization often allows a single underlying concept to be inconsistently distributed across multiple redundant or interfering latents. To address this, we introduce C$^2$R (\underline{\textbf{C}}ross-sample \underline{\textbf{C}}onsistency \underline{\textbf{R}}egularization). C$^2$R explicitly encourages that each semantic feature is consistently represented by a unified latent across the batch by penalizing the co-activation of directionally similar latents. Comprehensive evaluation demonstrates that C$^2$R effectively mitigates both splitting and absorption while, crucially, preserving reconstruction fidelity, providing a principled solution that enhances latent interpretability without degrading model performance. Source code is available at https://github.com/hr-jin/Cross-sample-Consistency-Regularization.
URLs: https://github.com/hr-jin/Cross-sample-Consistency-Regularization.
Authors: Subramanyam Sahoo, Aman Chadha, Vinija Jain, Divya Chaudhary
Abstract: Conservative offline training is widely advocated as a safe foundation for subsequent online adaptation: if a policy stays close to well-supported behaviour, the argument goes, it is less likely to exploit imperfections in a learned reward model. We challenge this intuition empirically and mechanistically. We train a Qwen3-14B policy under Direct Preference Optimisation (DPO) with three levels of conservatism ($\beta \in \{\beta_{\mathrm{lo}}, \beta_{\mathrm{mid}}, \beta_{\mathrm{hi}}\}$ derived from empirical log-ratio percentiles), then adapt each checkpoint online against a learned reward ensemble (3\,$\times$\,Qwen3-1.7B) while measuring true performance on GSM8K exact-answer accuracy. We find that \emph{higher offline conservatism monotonically increases reward-hacking damage}, measured by the Goodhart gap and its area under the curve (AUGC), with Spearman $\rho = 1.0$ across all three conditions. Mechanistic analysis reveals a three-link causal chain: (i) high-$\beta$ DPO compresses policy entropy, (ii) Low-entropy policies generate responses with reduced diversity, concentrating in a narrow region of the reward model's training distribution (lower pairwise cosine distance), and (iii) despite this proximity, ensemble disagreement (epistemic uncertainty) increases with $\beta$ and is exploited faster during online optimisation. We further fit a power-law curve to the $(\beta, \augc)$ data and identify a practical optimal conservatism level $\beta^{\star}$ that balances alignment fidelity against hacking vulnerability. Our results suggest that the field needs \emph{calibrated}, not \emph{maximal}, conservatism.
Authors: Philip Zmushko, Egor Petrov, Nursultan Abdullaev, Mikhail Khrushchev, Samuel Horv\'ath
Abstract: Modern large-scale LLM pretraining benefits from utilizing Pipeline Parallelism; however, synchronous implementations leave GPUs idle during pipeline bubbles, wasting computational resources. Asynchronous Pipeline Parallelism eliminates these bubbles, maximizing throughput at the cost of gradient staleness. Among asynchronous schedules, PipeDream-2BW is particularly appealing: unlike the original PipeDream schedule, it ensures a constant one-step gradient delay regardless of pipeline depth. However, its adoption remains limited due to the common belief that optimizing under staleness is fundamentally unstable. In this work, we challenge this assumption, demonstrating that degradation under one-step delay depends strongly on optimizer choice rather than being an intrinsic limitation. We provide the first comprehensive empirical analysis showing that while AdamW, the predominant optimizer at the time when PipeDream-2BW was introduced, indeed suffers from severe degradation, recent methods like Muon exhibit strong robustness under a one-step delay. We introduce an optimizer-agnostic Error Feedback-inspired correction to further mitigate delay effects. We provide supporting theoretical analysis demonstrating convergence for Muon with and without this correction. Extensive evaluation on models up to 10B parameters confirms that our strategies bridge the performance gap with synchronous training, highlighting the practical potential of asynchronous pipeline parallelism at scale.
Authors: Xuanfan Ni, Liyan Xu, Chenyang Lyu, Longyue Wang, Mo Yu, Lemao Liu, Fandong Meng, Jie Zhou, Piji Li
Abstract: To reduce memory consumption during LLM inference, a handful of methods have been proposed for KV cache pruning. While these techniques can accomplish lossless memory reduction on many datasets, they often hinge on an under-emphasized condition: an input/domain-specific threshold for KV cache budget needs to be pre-determined to achieve the optimal performance. However, such input-sensitive design may be considerably limited in real-world scenarios, as open-domain inputs span diverse domains, lengths and difficulty levels, without clear boundaries for threshold selection. As a result, the dependence of such input-sensitive threshold can be a fundamental limitation that causes large degradation on arbitrary inputs. In this work, we propose a new objective that lifts the threshold constraints for robust KV compression, advocating for "threshold-free" methods that adaptively adjust budget allocation while preserving full-cache performance. We then propose a novel method, ReFreeKV, serving as the first instantiation of this objective. Extensive experiments across 13 datasets with diverse context lengths, task types, and model sizes demonstrate its efficacy and efficiency. Our code is publicly released at https://github.com/Patrick-Ni/ReFreeKV.
Authors: Daoming Wan, Yizheng Huang, Jimmy X. Huang
Abstract: In recent years, text clustering has become a critical technique for applications including intent discovery, topic mining, and recommendation systems. However, evaluating text clustering algorithms remains challenging since many real-world textual datasets are not suitable for clustering assessment due to ambiguous semantic boundaries, the high dimensionality of embeddings, and inconsistent cluster structure. Current clustering dataset generators are designed for numerical data, providing limited support for text-specific benchmarking. This paper introduces TextClusterLab, a comprehensive framework for text clustering research. TextClusterLab offers a Large Language Model (LLM)-driven text clustering dataset generator to produce synthetic text datasets for evaluating clustering algorithms. This generator supports setting various clustering attributes, such as class imbalance, intra-cluster compactness, and inter-cluster diversity. These generated datasets can serve as practical benchmarks for testing the robustness and versatility of text clustering algorithms in diverse scenarios. Moreover, we introduce a benchmark to verify whether a text dataset is suitable for clustering evaluation. Therefore, TextClusterLab provides an integrated framework for reproducible and comprehensive text-specific clustering research. Our TextClusterLab is publicly available at https://github.com/research-paper-code/TextClusterLab, and some synthetic example datasets with various attributes are publicly available at https://huggingface.co/datasets/DW-irlab/TextClusterLab.
URLs: https://github.com/research-paper-code/TextClusterLab,, https://huggingface.co/datasets/DW-irlab/TextClusterLab.
Authors: Yichuan Wang, Zhifei Li, Zirui Wang, Paul Teiletche, Lesheng Jin, Matei Zaharia, Joseph E. Gonzalez, Sewon Min
Abstract: Augmenting large language models (LLMs) with retrieved web text has become a dominant paradigm, yet the web is not natively textual: existing systems depend on complex parsing pipelines that linearize HTML and discard layout, visual structure, and formatting. We introduce PixelRAG, a new retrieval-augmented method that represents websites in their native visual form and performs retrieval and reading entirely in pixel space, enabling an end-to-end architecture that eliminates text abstraction. PixelRAG is, to our knowledge, the first pipeline to operate over a full Wikipedia corpus in this form, scaling to a datastore of 30 million screenshot images with an efficient visual retrieval index. Built on an existing visual embedding model (i.e., Qwen3-VL-Embedding), PixelRAG further fine-tunes this model on screenshot data with carefully curated contrastive training data. Retrieved screenshots are then fed directly as pixel inputs to a VLM, without intermediate text conversion. PixelRAG consistently outperforms both no-retrieval and text-based RAG baselines, most surprisingly on widely studied text-centric tasks such as NQ and SimpleQA. It also achieves strong gains on multimodal open-domain QA (e.g., MMSearch), benchmarks over noisy news corpora (e.g., LiveVQA), and agentic benchmarks (e.g., MoNaCo), improving accuracy by up to 18.1% over text-based baselines. Finally, pixel representations enable a new efficiency lever for RAG through image compression, achieving up to 3x token cost reduction at lower resolutions while maintaining accuracy. Our results challenge the necessity of text representations in web retrieval, suggesting that web RAG can operate directly in the web's native visual form while improving both performance and efficiency.
Authors: Charles L. Wang, Keir Dorchen, Peter Jin
Abstract: Contemporary AI safety spans pre-training interventions, post-training alignment, deployment-time controls, monitoring, and red-teaming. These methods are necessary, but they primarily certify snapshots of system behavior. As AI systems become more capable, dynamic, embodied, and self-improving, this snapshot view becomes incomplete: safety depends not only on whether a system behaves acceptably now, but whether it remains correctable as it learns, adapts, acts, and modifies itself over time. This paper argues that safety should therefore be treated as an epistemic property of the evolving learner, not merely a behavioral property of the current policy. We introduce teachability as the capacity to preserve future corrective leverage under bounded human, institutional, or environmental intervention. We argue that advanced systems can retain visible competence while eroding the representational, algorithmic, or meta-decision conditions needed for future correction. Safe advanced AI systems must not only behave acceptably now; they must remain teachable later.
Authors: Irene Strauss, Alexandra Butoi, Ryan Cotterell
Abstract: The classic paradigm of language identification in the limit models learning as a game between an adversary, who reveals strings from an unknown target language, and a learner tasked with identifying that language. The recently introduced framework of language generation in the limit shifted the objective to better reflect modern language modeling, requiring the learner to produce valid, unseen strings from the target language. Related work highlighted a fundamental tension: a broad coverage of the target often comes at the cost of validity. We introduce a new notion of precision and recast this problem as the classic recall-precision trade-off. We analyze generation in the limit under varying constraints on enumeration, novelty, and validity, aimed at reflecting settings closer to those encountered by large language models. A key contribution is our analysis of learners that are not eventually valid: we allow infinitely many mistakes, provided their frequency tends to zero so that precision remains one. We show that this relaxation can strictly increase recall when the adversary permanently withholds a large portion of the target language. We also study a continuous relaxation of the novelty constraint that requires only a fixed fraction of outputs to be novel. Taken together, our results move toward a more realistic model of language generation where occasional errors and repetitions are unavoidable, but their rates are controlled.
Authors: Yuyan Qian, Claude Montacie, Milan Stankovic, Victoria Eyharabide
Abstract: Selecting which companies to approach is a central challenge in business-to-business (B2B) sales, where decisions are often based on manual research and fragmented information sources. Modern B2B sales platforms centralize company records and use learned company embeddings to support tasks such as recommending and prioritizing potential clients. In this study, we investigate whether enriching these company embeddings with Semantic knowledge from DBpedia improves downstream interaction-prediction performance, within a pipeline that integrates structured company attributes and text embeddings deployed on a real B2B platform. We evaluate the learned embeddings on a downstream interaction prediction task using real user feedback data from the platform. Results show that DBpedia enrichment improves downstream performance, with gains observed on ranking and discrimination metrics.
Authors: Charith Chandra Sai Balne, Rithwik Maramraju, Siddharth Pratap Singh, Rohit Upadhyay, Aditya Singh, Chittaranjan Tripathy, Yogananda Domlur Seetharama
Abstract: Dense embedding retrieval compresses all relevance information into a single inner product, imposing a fundamental geometric limit -- the Voronoi Bottleneck -- on the number of query-document relevance patterns expressible at fixed embedding dimension (d). We make three contributions. (1) Unified capacity theory. We prove that Voronoi complexity and sign-rank are equivalent for top-1 retrieval, yielding tight dimension bounds and a computable diagnostic, the Capacity Utilization Score (CUS), that predicts per-query retrieval failure with AUC (> 0.8) without relevance labels. (2) Diagnosis. CUS identifies two capacity regimes -- moderate ((\delta \gtrsim 1)), where density-aware training yields measurable gains, and vacuous ((\delta \ll 1)), where it does not -- giving practitioners an a priori check before investing in retraining. (3) DART training. We introduce AT-DW-InfoNCE, an Adaptive-Temperature Density-Weighted contrastive objective with formally derived optimal weighting (\alpha^* = 2.0). On a 100K-query synthetic product-search corpus with controlled relevance structure, DART improves +1.9 Recall@100 over a same-data InfoNCE baseline ((84.9 \pm 0.0) vs. (83.0 \pm 0.3); 8 seeds, (p < 0.001)), outperforming focal loss and temperature-schedule alternatives. DART requires zero inference-time overhead -- it is a drop-in training objective that improves any dual-encoder system.
Authors: Santosh Jaiswal
Abstract: Identifying complex and safety-critical driving scenarios in large unlabelled datasets is an important but expensive problem. Existing approaches rely on human annotators, supervised classifiers, or carefully engineered rule sets, all of which require substantial prior knowledge about what constitutes a difficult scenario. We ask whether a model can discover scenario complexity on its own, with no labels at any stage. We train a minimal Joint Embedding Predictive Architecture (JEPA) on structured agent state data from the nuPlan mini dataset and use the temporal prediction error as a zero-shot complexity score. Without access to any ground-truth labels during training or evaluation setup, the model assigns significantly higher scores to scenarios involving unprotected turns, crosswalk interactions, and pedestrian proximity, and significantly lower scores to lane-following and stationary-traffic scenarios. We validate this finding through four ablation experiments that isolate the source of the signal, and through a downstream anomaly detection evaluation that achieves Average Precision of 0.512 against a 0.436 chance baseline. The results show that temporal prediction error in a self-supervised latent world model is a practical proxy for driving scenario complexity.
Authors: Jiasheng Wang, Tanun Jitwatcharakomol, Piyawadee Jongpradubgiat, Simeng Zhu
Abstract: Accurate lesion segmentation in PET/CT is critical for oncology, yet remains challenging because physiologic tracer uptake and artifacts can mimic malignant signal. We present RADIANT-PET, a reasoning-augmented framework that couples a high-sensitivity voxel-level segmentation model with lesion-level large language model (LLM) adjudication. Candidate uptake regions are generated with a deliberately permissive segmentation stage, then converted into structured textual descriptions that summarize uptake intensity, morphology, and regional and global anatomical context. An LLM classifies each candidate as true lesion vs. false positive, optionally leveraging the radiology report as additional clinical context. To strengthen lesion-level reasoning, we further optimize a local LLM via reinforcement learning using Group Relative Policy Optimization, rewarding correct lesion classification and anatomically concordant site assignment. Across AutoPET and an OSU test cohort, RADIANT-PET consistently outperforms strong image-only baselines, with the largest improvements observed when radiology reports are provided. Overall, these results demonstrate that LLM-based lesion-level reasoning adds a novel reasoning layer beyond conventional segmentation, suppressing physiologic false positives and aligning voxel-level predictions with clinical interpretation. The project repository is available at: https://github.com/jwang-580/RADIANT-PET.
Authors: L. A. Mu\~noz
Abstract: The physical anastylosis of collapsed architectural monuments -- the meticulous reassembly of fallen stone elements into their original structural configuration -- represents one of the most intellectually demanding challenges in conservation science. Traditional approaches depend heavily on expert archaeologist judgement and manual block-by-block correspondence, a process that is both labour-intensive and inherently subjective. Inspired by the combinatorial complexity of this problem as manifested in the game of Jenga, we present Jenga Inverse Predictor , a GPU-accelerated deep learning framework that addresses structural anastylosis as an inverse prediction task. Given an image of a collapsed block assembly, JIP-2 reconstructs the most probable prior tower configuration by: (1) implementing a complete rigid-body physics engine with OBB/SAT collision detection and a Projected Gauss-Seidel (PGS) contact solver accelerated with Numba JIT and CuPy CUDA; (2) applying the analytical force thresholds of Ziglar (CMU, 2006) -- F_app = 3*mu_s*m*g (Y-axis, torque-free) and F_app = 4*mu_s*m*g (X-axis, torque risk) -- over three friction levels (mu_s in {0.25, 0.40, 0.60}) across 450 simulated episodes; (3) training a dual-stream ResNet-18 that injects a friction one-hot vector and jointly predicts block removal count, per-position removal probabilities, centre-of-mass imbalance, and Ziglar torque risk; and (4) generating a smooth 3-D video of the block-by-block reverse reconstruction. We discuss implications for computer-assisted anastylosis at the UNESCO Maya site of Uxmal, Yucatan, and provide a detailed technical description of the full pipeline, architecture, and loss formulation.
Authors: Emily Bejerano, Federico Tondolo, Devang Gupta, Aaron Mano Cherian, Taeyoo Kim, Ayaan Qayyum, Xiaofan Yu, Xiaofan Jiang
Abstract: Millimeter-wave (mmWave) radar perception is limited by data scarcity: models trained on existing radar datasets fail to generalize to new objects, environments, and sensing trajectories. We present RadarTwin, a framework for generating deployment-specific radar training data before real data collection. Given a 3D reconstruction of a target space (phone LiDAR, robot-mounted sensing, or RGB-to-3D), RadarTwin uses a vision-language model to infer radar-relevant surface materials and a physics-based ray tracer to synthesize raw frequency-modulated continuous-wave (FMCW) radar measurements with multi-bounce propagation. To study what transfers from simulation to reality, we collect a paired real-simulated dataset spanning household objects, material classes, distances, rotations, translations, and mobile sensing trajectories. We show that simulated and real radar share the same object-discriminative shape and material features, and that modeling the environment's multipath is essential to matching real measurements. A representation trained on simulation alone recognizes real objects at 2.5 times chance with no real radar labels, and a few labeled examples raise this to 95.3% on a 12-way recognition task. RadarTwin enables training radar perception for a new space before any real radar data is collected there.
Authors: Can Demircan, Marcel Binz, Alireza Modirshanechi, Eric Schulz
Abstract: The structure of human visual representations underpins our capacity for adaptive behaviour. While pretrained neural networks model human visual representations with unprecedented success, a large discrepancy remains. We propose one reason: these networks optimise a single fixed objective, whereas human representations must support open-ended tasks. We hypothesise this flexibility arises from meta-learning (learning to learn), a pressure shaping representations to acquire new tasks from few observations. To test this, we train a sequence model, without any supervision from human data, across thousands of semantically rich tasks mapping images to high-level concepts. Compared to their pretrained base encoders, meta-learned representations better predict human similarity judgements, semantic rule learning, and high-level visual cortex. Behavioural gains depend on disentangled, high-level task distributions, while brain alignment is driven primarily by the learning-to-learn pressure. Our results suggest the flexibility of human visual representations reflects the functional demand to learn new semantic relationships on the fly.
Authors: Yunhun Nam, Jongheon Jeong
Abstract: Vision-Language Models (VLMs) have shown strong performance in visual understanding, yet they still suffer from hallucinations, generating content that is not grounded in the image. Preference alignment is a promising approach to improve visual faithfulness, but its success depends heavily on how preference pairs are constructed. Existing methods exhibit two key limitations; (a) intervention-based methods often introduce significant deviation from the policy distribution, and (b) sampling-based methods often underuse visual information during the construction. In this paper, we propose ViPSy (Vision-driven Preference Synthesis), a framework for constructing preference data that are both policy-aligned and visually grounded. Our framework consists of two stages; in the first stage, ViPSy derives a visual cue from recurring object-level content across semantically aligned image variants, so preference construction can rely on visual information rather than language priors. In the second stage, ViPSy conditions the policy's own rollouts on this cue, allowing candidates to be guided by visually grounded content while staying close to the policy's response distribution. The resulting candidates remain close to the policy's response distribution while better leveraging visual information from the image. Experiments show that the resulting VLM, preference-aligned with ViPSy-constructed preference pairs, achieves a new state-of-the-art in hallucination mitigation. Compared with the previous state-of-the-art method, it reduces hallucination rates on AMBER and Object HalBench by 35.7% and 24.5%, respectively. The resulting model further improves on general visual grounding benchmarks, e.g., MMStar, MMVP, and CV-Bench, while also yielding gains in semantic segmentation and ImageNet linear probing, underscoring the effectiveness of our framework in enhancing the model's visual capabilities.
Authors: Bruno Caro-V\'asquez, Carola Figueroa-Flores, Gast\'on Marquez
Abstract: Vulnerability detection in C/C++ software remains a major security challenge due to code complexity, manual memory management, and the limitations of traditional static analysis. Reinforcement Learning (RL) has emerged as a promising approach, particularly for fuzzing, test generation, program exploration, and, more recently, vulnerability detection and localization. Following PRISMA 2020 guidelines, this work reviews RL techniques for software vulnerability analysis, focusing on C/C++ source code and static analysis. We identified 21 primary studies published between 2015 and 2026 from major scientific databases and complementary searches. We analyze the addressed tasks, algorithms, state-action-reward-environment formulations, code representations, datasets, and evaluation metrics. Results show that 15 studies focus on fuzzing and guided exploration, only 3 on direct vulnerability detection, and just 1 on statement-level localization. Moreover, statically extracted structural representations such as Control Flow Graphs (CFGs) and Abstract Syntax Trees (ASTs) are rarely used as agent states, and benchmarks lack comparability. We propose a task- and formulation-oriented taxonomy and identify a key research gap: the absence of RL agents that use source-code CFGs as states to detect and localize vulnerable nodes.
Authors: Xiangyu Qian, Jing Liu, Yunqing Tang, Luru Dai, Qiushi Li
Abstract: Fluorescence microscopy images are degraded by noise and diffraction-induced blur, which compromise structural fidelity and limit quantitative analysis. Supervised deep learning methods achieve impressive restoration performance but require large-scale paired datasets that are difficult to obtain in practice. To address this issue, we propose SDIP, a zero-shot deep image prior (DIP) framework that sequentially performs denoising and deconvolution without external training data. An aSeqDIP-based module first suppresses noise while preserving fine structures through sequential autoencoding regularization. In the deconvolution stage, a wavelet-based background correction step is incorporated before the proposed RLG-DIP module performs artifact-reduced deconvolution. RLG-DIP uses the Richardson-Lucy deconvolution result as a physically consistent guidance prior, integrating the imaging model with the implicit prior of DIP to stabilize the ill-posed deconvolution process. Experiments on the BioSR dataset across multiple cellular structures demonstrate that SDIP improves both signal-to-noise ratio and resolution, achieving superior visual quality and improved quantitative performance on most evaluated structures. The proposed framework may also provide useful insights for designing physically guided DIP methods for other inverse problems.
Authors: Rahid Zahid Alekberli, Hikmat Karimov
Abstract: We study the spectral perturbation of the empirical Fisher Information Matrix (FIM) of a parametric statistical model under two structured perturbations: departure of the input from a reference (in-distribution) ensemble, and finite-precision (quantized) perturbation of the model's parameters. For the first, under an explicit local curvature-monotonicity hypothesis on the dominant eigenvalue lambda_max of the FIM, we show departure from a reference manifold provably elevates lambda_max relative to a calibration baseline (Proposition 3.2), and discuss why this hypothesis is required, since curvature need not increase monotonically under every perturbation. Our principal result is a directional eigenvalue perturbation bound, via Weyl's inequality, showing lambda_max under a quantization noise perturbation is lower bounded by its unperturbed value up to a third-order remainder, and, under a mild genericity condition, strictly exceeds it at leading order (Theorem 4.3). We give two tractable approximations to lambda_max -- one heuristic, one with a rigorous two-sided bound -- and a completeness result for a threshold-based partition of an augmented state space. These results motivate using sigma_t = lambda_max(F_t)/lambda_base as a runtime monitoring statistic for deployed language models: the quantization result offers a mechanism for an empirical observation of our own, where a calibration threshold for this statistic was approximately 244 times larger than a preliminary full-precision estimate on a 4-bit quantized model, a single measurement rather than a value derived in closed form. We report supporting measurements (twelve models, n=1,080 trajectories) broadly consistent with our predictions, discuss the scope and limitations of every result, and state as an open problem the closed-form prediction of the quantization inflation magnitude our bound does not supply.
Authors: Jonghyeon Park, Olivier Jiyoun Jung, Myungwoo Oh
Abstract: Early detection of dementia enables timely intervention, and reflecting cognitive impairment, spontaneous speech offers a non-invasive screening modality. Conventional approaches often focus on a single representational dimension -- such as acoustic descriptors, pause modeling, automatic speech recognition (ASR) transcripts, or multimodal fusion -- limiting integrative reasoning across heterogeneous cognitive symptoms. We propose a low-rank adaptation (LoRA)-tuned large language model (LLM) that performs structured multi-view reasoning over four complementary speech-derived signals: ASR transcripts with pause markers, discourse-level topic cues, temporal fluency statistics, and phonological sequences. These cues are encoded within a unified prompt, enabling a single LLM to learn a coherent decision function without modality-specific encoders or late-stage fusion. On ADReSSo, our best model achieves an F1-score of 90.14%, and ablation confirms the complementary contribution of each view.
Authors: Yang Liu, Yuming Chen
Abstract: World models can predict future physical states, but prediction accuracy alone does not explain how physical information is organized and used inside their latent dynamics. We introduce a controlled diagnostic protocol for studying event-conditioned latent physical structure in passive object-state world models. The protocol tests whether hidden representations encode event-regime information, whether event contexts reweight non-exclusive physical field readouts, and whether field-aligned representational components have functional consequences for prediction. Using a balanced controlled-generator dataset with free-motion, collision, and occlusion events, we evaluate recurrent, attention-based, and latent state-space transition models under a fixed-horizon forecasting setup. The models learn useful predictive dynamics and their hidden states support reliable event-regime readout. Event contexts systematically reweight kinematic, contact, and object-permanence field readouts: free motion is kinematic-dominant, collision combines kinematic and contact structure, and occlusion combines motion-related and object-permanence structure. Time-aligned and directional-consistency analyses further show phase-related shifts in field emphasis. Finally, fixed-horizon projection causal field effect (CFE) shows that suppressing field-aligned directions can degrade event-relevant prediction, with strongest evidence for contact-aligned structure in collision-contact windows and more qualified evidence for object-permanence-aligned structure in hard-occlusion hidden windows. These results support event-conditioned organization and fixed-horizon functional sensitivity of latent physical fields, while not implying explicit physical modules, isolated causal circuits, or context-invariant sliding-window generalization.
Authors: Chanju Park, Dario Bocchi, Francesco D'Amico, Biagio Lucini, Gert Aarts
Abstract: The emergence of low-dimensional structures in the spectra of neural network weight matrices is a common empirical feature of trained models, but the dynamical origin of this phenomenon during learning remains an open problem. We formulate neural network training as the stochastic evolution of an initially random matrix ensemble, driven by stochastic gradient descent (SGD) updates that reshape the spectral bulk while amplifying signal strength. This induces a Baik-Ben Arous-P\'ech\'e (BBP) transition during training, where isolated eigenvalues detach from the random bulk distribution, providing a dynamical framework for representation formation in high-dimensional learning dynamics. We demonstrate this in a solvable linear teacher-student model, where spectral evolution is analytically tractable and a phase diagram of trainability governed by the step size (or learning rate) and initial weight variance is obtained, and subsequently extend our formalism beyond the linear regime to nonlinear and stochastic settings. Numerical simulations in realistic settings support this picture, showing robust emergence of spectral alignment during training. Our results suggest that spectral analysis may provide a unified perspective of stochastic learning dynamics, linking trainability, optimisation hyperparameters, spectral phase transitions, and representation learning in neural networks.
Authors: Yuexi Du, Leya Barrientos, Laura Sheiman, John Lewin, Hemant D. Tagare, Nicha C. Dvornek
Abstract: Multiview mammography relies on paired craniocaudal (CC) and mediolateral oblique (MLO) views to provide complementary projections of a 3D breast volume, enabling precise anomaly localization. However, acquiring high-quality, balanced datasets remains challenging for deep learning applications. We propose a novel method to synthesize multiview mammograms by leveraging the inherent geometric relationship between CC and MLO views. To enforce an implicit 3D consistency prior during generation, we develop an alignment module that searches a 2D affine transformation subspace to establish optimal anatomical correspondence. Leveraging this alignment, we introduce a pixel-space self-consistency loss based on the Earth Mover's Distance (EMD) between the 1D anteroposterior (AP) axis tissue distributions of the generated images. Integrated into a pretrained flow matching model, MammoFlow forces synthesized pairs to share physically plausible tissue distributions from the chest wall to the nipple. To our knowledge, this is the first work to guide multiview mammogram generation using implicit geometric tissue correspondence. Our method demonstrates superior image quality, passes expert radiologist evaluation, and generates physically consistent pairs that improve downstream classification AUC by 5%. Code is available at https://github.com/XYPB/MammoFlow
Authors: Kevin Der, Harish Kamath, Ben Thompson
Abstract: Sparse autoencoders (SAEs) have become a useful tool for extracting interpretable features in language models. However, standard SAE architectures operate on individual token activations, meaning that the number of active features scales linearly with context length, and studying long model transcripts becomes difficult. We introduce turn-averaged SAEs, which represent a single Human or Assistant turn with a fixed number of features by learning to reconstruct the average model activation across the turn. We find that turn-averaged features describe a single turn's high-level characteristics more completely than per-token features when judged by an LLM. We also demonstrate that turn-averaged SAEs greatly simplify common downstream uses of SAEs like attribution graphs. Broadly, turn-averaged SAEs make interpretability techniques practical at long context lengths.
Authors: Matteo Farina, Vishaal Udandarao, Thao Nguyen, Selim Kuzucu, Maximilian B\"other, Andreas Hochlehnert, Adhiraj Ghosh, Marianna Nezhurina, Karsten Roth, Joschka Struber, Yuhui Zhang, Sebastian Dziadzio, Elaine Sui, Soumya Jahagirdar, Dhruba Ghosh, Hasan Hammoud, Thomas De Min, Simone Caldarella, Jehanzeb Mirza, Sedrick Keh, Mehdi Cherti, Hilde Kuehne, Bernt Schiele, Serena Yeung-Levy, Muhammad Ferjad Naeem, Federico Tombari, Ana Klimovic, Elisa Ricci, Matthias Bethge, Sewoong Oh, Ameya Prabhu, Alessio Tonioni, Jenia Jitsev, Massimiliano Mancini, Ludwig Schmidt, Nikhil Parthasarathy
Abstract: Building performant Vision-Language Models (VLMs) requires carefully curating large-scale training datasets, yet the community lacks systematic benchmarks for evaluating such curation strategies. We introduce DataComp for VLMs (DCVLM), a benchmark for controlled data-centric experiments to improve VLM training. As part of DCVLM, we collect 160 datasets spanning four data types -- image-caption pairs, multimodal interleaved documents, text-only, and instruction-tuning data -- into a corpus of 6T multimodal tokens. DCVLM allows participants to test curation strategies (filtering, mixing, formatting, sampling) across 1B-8B models and 6.25B-200B token budgets. Models are then evaluated on a carefully selected suite of up to 52 downstream benchmarks across 9 domains. We conduct extensive experiments on DCVLM and find that data mixing, not filtering, is key to a high-quality training dataset: instruction-heavy mixtures scale better than caption-heavy ones, with gains widening at larger scales. The resulting dataset, DCVLM-Baseline, enables training an 8B VLM to 63.6% accuracy on our 33-task core suite with 200B training tokens. Compared to FineVision, the state-of-the-art open VLM training dataset, this represents an improvement of +5.4pp. DCVLM and all accompanying artifacts will be made publicly available at https://www.datacomp.ai/dcvlm/.
Authors: Chad A. Capps
Abstract: We study sparse self-attention in which each query attends to a dense local window plus a set of Fibonacci-spaced offsets, with a per-layer scalar alpha that compresses or expands the spacing. Across 21 language models trained under one matched recipe (60M parameters, 512 hidden, 16 layers, 426M tokens), we compare four ways of setting alpha across depth: fixed, per-layer learned, a static linear stagger, and a coprime (anti-gridding) reassignment of that stagger, together with a reach-matched power-of-2 control. Three results stand out. First, a static per-layer stagger improves perplexity over both fixed and learned alpha, and the gain is base-agnostic: applying the same stagger to a power-of-2 base lifts it above fixed Fibonacci and to parity with learned Fibonacci attention. Second, learning per layer is inert: it does not beat the static schedule and costs roughly five times the inference latency. Third, and most consequential, all sparse variants extrapolate to four times their training length with little or no degradation, whereas a recipe-matched dense baseline collapses (perplexity rises by 201% at 4x length); we attribute this to fixed-offset attention only ever querying relative positions seen during training. We also report two honest negatives: at training length the best sparse model has about 26% higher perplexity than the dense baseline, and the staggering gain is uniform across context positions rather than concentrated at long range.
Authors: Arthur Josi, Emeline Got, Abdallah Dib, Luiz Gustavo Hafemann, Rafael M. O. Cruz
Abstract: Speech-driven 3D facial animation methods face significant challenges in simultaneously achieving high-fidelity motion and precise artistic control at production quality. Existing controllable models typically learn global style control by relying on large-scale, low-quality \emph{in-the-wild} datasets that compromise overall animation realism. Furthermore, these frameworks often lack the fine-grained temporal precision required for demanding tasks such as dialogue localization (e.g., dubbing), where matching specific facial expressions is as critical as lip synchronization. We present KM-Speaker (Keypoint-Matching Speaker), a novel keypoint-conditioned flow-based generative framework that provides both global style guidance and frame-level temporal control from reference performances. We propose a disentanglement strategy that separates audio-driven lip motion from keypoint-driven upper-face dynamics, together with a global style context preservation mechanism to ensure coherent full-face expressiveness. KM-Speaker advances example-based 3D facial animation by achieving high-fidelity motion and flexible controllability in a data-constrained setting, consistently outperforming state-of-the-art methods in lip-sync accuracy, style adherence, and expressive temporal control.
Authors: Aabesh Bhattacharyya, Tiffany Ding, Rina Foygel Barber
Abstract: Prediction sets should have high coverage to be useful, but some coverage notions are more practically relevant than others. In the classification setting, class-conditional coverage requires that the prediction set (i.e., the set of candidate labels for a new test point) must achieve the target accuracy level within each class, which may be challenging to satisfy when many classes are rare and have few calibration points. At the other extreme, marginal coverage requires only that coverage holds on average over the distribution of all classes, which can lead to low-probability labels being essentially ignored. To find a middle ground, recent work has introduced macro-coverage, defined as the unweighted average of class-conditional coverages. Macro-coverage offers a compromise between marginal coverage and class-conditional coverage that is particularly appropriate for long-tailed settings. In this work, we show that label-weighted conformal prediction can be used to produce prediction sets with a finite-sample macro-coverage guarantee, and more generally a guarantee on a family of generalized macro-coverage objectives that aggregate coverage at the level of arbitrary class groupings and take a weighted average. We further characterize the form of the smallest prediction sets satisfying a given generalized macro-coverage objective and propose a corresponding conformal score function. We validate our theoretical results on two large-scale image classification datasets.
Authors: Binh Nguyen, Colleen Josephson, Mircea Teodorescu, Gert Cauwenberghs, Jason Eshraghian
Abstract: Neuromorphic and edge computing research has focused on reducing the inference cost of neural network controllers, yet in physical closed-loop systems the actuator can rival or exceed an efficient controller in energy. An efficient controller is therefore necessary but not sufficient, because the actuator becomes the cost worth reducing once inference no longer dominates it. Here, we introduce energy-aware learning, an approach that incorporates actuator energy directly into the reinforcement learning reward, and demonstrate it in closed-loop deep brain stimulation (DBS) for Parkinson's disease. A deep spiking Q-network, trained in a biophysical cortico-basal ganglia-thalamic circuit model, learns to suppress pathological alpha-beta oscillations by 45.2% while reducing stimulation charge by 80.0% relative to continuous DBS. Sparsity-constrained knowledge distillation compresses the policy onto the SynSense XyloAudio 3 neuromorphic processor at 0.52 mW inference power, yielding 28.1x lower energy per inference than an equivalent artificial neural network on conventional edge hardware. By co-optimizing stimulation energy and inference efficiency, the framework addresses both major power demands in implantable neuromodulation.
Authors: Oscar Mir\'o L\'opez-Feliu, Daimy van Loo, Xanthos Kekkos, Mikel Blom, Clara Rus
Abstract: Fayyazi et al. (2025) recently proposed FACTER, a model-agnostic framework designed to jointly enforce fairness and statistical coverage in LLM-based recommendation through conformal thresholding and iterative prompt repair. In this work, we conduct a reproducibility study of the FACTER framework across diverse architectures and dataset sparsity levels, evaluating both the original open-ended generation task and a constrained re-ranking extension. Under the strict reproduction, we observe a divergence in recommendation utility, which we trace to underspecified target-set evaluation in the original study. We then use the constrained re-ranking setting to evaluate FACTER when the candidate set is fixed, and introduce a static Fair Zero-Shot baseline to isolate the contribution of the iterative prompt repair loop. Our analysis shows that FACTER consistently reduces adaptive-threshold violation counts, but that these reductions are not consistently reflected under the fixed threshold or in global fairness metrics. In the constrained ranking setting, static fairness instructions achieve comparable semantic-parity outcomes to FACTER's dynamic repair loop, suggesting that the additional online repair mechanism provides limited benefit in this formulation. All code and reproduction artifacts are available at https://github.com/oscar-omlf/facter-repr.
Authors: Mohammad Imtiaz Hasan, Abyad Enan, Jean Michel Tine, Araf Rahman, M Sabbir Salek, Mashrur Chowdhury
Abstract: Connected Vehicles (CVs) rely extensively on communication technologies to enable data-driven predictive analyses for enhancing performance and safety. These communication channels can be exploited by adversaries to launch cyberattacks such as Sybil attacks, which could threaten both safety-critical and mobility applications, leaving CVs vulnerable and putting human lives at risk. As CV deployment continues to expand, the need to detect and mitigate cyberattacks in real-time becomes increasingly urgent. This study presents an in-vehicle Digital Twin (DT)-based collision warning framework with built-in capabilities for Sybil attacks detection. The framework integrates a Temporal Convolutional Network (TCN) for learning temporal dependencies in vehicle trajectory data and Hierarchical Navigable Small World (HNSW) algorithms for efficient similarity-based classification. Our framework is evaluated on real-world Sybil attack data, collected through field experiments. The framework achieved accuracy, recall, and F1 scores of 0.984, 1.00, and 0.944, respectively, in detecting Sybil-generated fake vehicles. During the safety evaluation, the framework reduced the mean Time Exposed Time-To-Collision (TET) and mean Time Integrated Time-To-Collision (TIT) of near-collision events by 88% and 72%, respectively. Furthermore, real-world feasibility evaluation shows that the framework conformed to the standardized maximum allowable latency for safety applications and operated well within the capacity of modern processors -- demonstrating the promise of an in-vehicle DT-based framework as an attack mitigation mechanism against Sybil attacks for next-generation CVs.
Authors: Mudit Agarwal, Amit D. Bhrany
Abstract: Localized generative editing needs localized evaluation: full-image identity metrics are structurally confounded under hard-composited edits. We present Envisage, a FLUX.1-Fill inpainting reference pipeline for rhinoplasty goal visualization from a single frontal photograph. The pipeline combines 8 rhinoplasty clinical presets (the released framework also includes 8 blepharoplasty and 8 rhytidectomy presets), MediaPipe masks, and hard-mask compositing. The composite preserves outside-mask pixels by construction, so full-face identity scores are dominated by copied pixels rather than by the diffusion backbone. Because full-face identity metrics cannot grade localized edits, we introduce SurgicalScore, a mask-decomposed 0-1 protocol scoring edit direction, edit magnitude, masked LPIPS, realism, and outside-mask preservation; SS_raw assigns 0.919 [0.918, 0.920] to a perfect-predictor control , anchoring the ceiling. On N=211, the paired ArcFace gain (output-to-GT minus input-to-GT) is negative for all methods (Envisage -0.048 smallest, vs. ICEdit -0.139, Kontext -0.242, InstructPix2Pix -0.294; p < 1e-4), with external validation on a 457-pair ASPS/PCA corpus showing a larger negative gap. With SurgicalScore, Envisage achieves the highest score (0.599 [0.579, 0.619]) and leads on both metrics, but the all-negative ArcFace gap shows that full-face identity is poorly aligned with localized surgical accuracy under hard compositing. A 5-seed GT-oracle (an upper bound, not a deployable result) reduces the residual ArcFace gap by 73% (-0.054 to -0.015), with positive output-to-GT gain on 33.9% of cases, indicating candidate-space headroom for a learned ranker. For localized edits, progress should be measured with edit-region fidelity rather than full-face identity metrics. We release Envisage, SurgicalScore, preset definitions, and matched split manifests.
Authors: Xin-She Yang, Mehmet Karamanoglu
Abstract: Parameter settings in evolutionary algorithms and metaheuristics are important because such parameter values can influence the performance of algorithms under evaluation. For a given algorithm, there are many different numerical experiments to show that the algorithm can work well in practice; however, in most cases there is no theoretical analysis of parameter settings. In this work, we show that theoretical analysis using the theory of dynamical systems and evolution of population variance can give some good results in terms of parameter ranges for the bat algorithm. We also show that results from numerical experiments are consistent with theoretical bounds. Such analyses can provide good insights from different perspectives about the algorithmic characteristics such as variance evolution, transition between exploration and exploitation as well as convergence behaviour.
Authors: Zitian Zhou, Nan Lin
Abstract: Online high-dimensional regression requires algorithms that can update sequentially while preserving structural sparsity. We propose \textit{Adaptive Iterative Hard Thresholding (AIHT)}, an online sparse-regression framework that alternates stochastic subgradient updates with adaptively scheduled hard-thresholding steps. The key idea is to separate support discovery from local refinement: early in the learning process, AIHT delays thresholding so that weak but informative coordinates have time to accumulate signal, while later it increases the projection frequency to stabilize the sparse estimator and exploit local curvature. We develop the theory for high-dimensional online quantile regression, a challenging setting in which the loss is nonsmooth and the data may exhibit heterogeneity or heavy-tailed noise. Under restricted curvature and gradient-leakage conditions, AIHT remains in an inflated sparse cone, exhibits a two-phase convergence behavior, and attains logarithmic regret for the sliding-window objective. Simulations for online quantile regression, together with threshold-scheduling ablations, support the proposed mechanism and illustrate its advantage over standard online sparse-learning baselines.
Authors: Thiru Thillai Nadarasar Bahavan, Sachith Seneviratne, Saman Halgamuge
Abstract: Deep Neural Network (DNN) classifiers suffer from poor calibration when their softmax outputs (predictive confidence) deviate from the empirical likelihoods. This manifests itself as either overconfident incorrect predictions or under-confident correct predictions. Label smoothing (LS) enhances model calibration by introducing entropy regularization during training through redistributing probability mass from the ground-truth label to the remaining classes. LS, including Margin-based LS (MbLS), have restrictive assumptions: they rely on predefined, uniform smoothing rules and only tackle overconfidence. In reality, samples exhibit diverse characteristics, such as difficulty/ambiguity, that interact with the evolving nature of the model being trained. In training, samples may have various degrees of under- or overconfidence. To overcome this, a mechanism that identifies the specific confidence state of each sample and determines the appropriate degree of smoothing in each training step is needed, tailoring the adjustment to the individual sample. We propose FedLAS: Feature-Modulated Bidirectional Label Smoothing, a plug-and-play algorithm for label smoothing-based losses. In FedLAS, we introduce a Feature Norm-based Confidence Indicator (NCI) to control smoothing and a Bidirectional Calibration Gating (BCG) module to detect both over and under-confidence. Our algorithm can be integrated with LS and MbLS based losses when applied to standard DNNs, enhancing performance. Extensive experiments on standard and fine-grained high-resolution vision benchmarks show that FedLAS consistently improves calibration compared to modern baselines, reducing Expected Calibration Error (ECE) and Adaptive ECE while maintaining Top-1 accuracy. Code: github.com/nadarasarbahavan/FEDLAS
Authors: Aspen Erlandsson Brisebois, Luis Pablo Gonzalez Dominguez, Shivansi Prajapati, Zahed Khatooni, Heather L. Wilson, Connor Burbridge, Brook Byrns, Sureesh Tikoo, Christophe Pere, Steven Rayan, Gordon Broderick
Abstract: Parameterized quantum circuits (PQCs) provide a flexible substrate for hybrid quantum machine learning (QML), but their practical value on Noisy Intermediate-Scale Quantum (NISQ) devices remains an empirical question, especially because training depth and scale can introduce optimization challenges such as barren plateaus. Here we study how the number and topology of two-qubit entangling gates in the feature-map stage influence a fixed hybrid QNN workflow for classifying strong versus weak epitope-receptor binding in Porcine Reproductive and Respiratory Syndrome (PRRS) vaccine design. The dataset consists of docking-derived binding affinities for N=80 9-mer epitopes, labeled as Strong or Weak binding, and partitioned into training, validation, and test subsets using a 40:30:30 split. We compare a classical CNN benchmark with a hybrid Embedding-QNN architecture under four feature-map configurations: a non-entangling Z feature map, an all-to-all high-entanglement ZZ feature map, and two interleaved nearest-neighbour entanglement patterns of low and high depth. Among the configurations tested, the high-entanglement ZZ feature map is seen to provide the strongest evidence of reduced training-set overfit, with a lower training area under the accuracy curve (AUAC) and the highest test/training AUAC ratio, while preserving competitive test-set accuracy. These results do not establish a general QML advantage, but they suggest that feature-map entanglement topology is a meaningful design variable for sparse biological screening tasks and warrants further evaluation with additional metrics, larger datasets, and noise-aware or hardware-based experiments.
Authors: Aspen Erlandsson Brisebois, Zahed Khatooni, Connor Burbridge, Brook Byrns, Heather L. Wilson, Sureesh Tikoo, Steven Rayan, Gordon Broderick
Abstract: High-fidelity molecular docking simulations can produce biologically relevant estimates of epitope-receptor binding affinity but are computationally expensive and therefore limit the number of candidates that can be screened for vaccine design. In this work, we evaluate machine learning (ML) approaches where variants of active learning are used to classify instances of high binding affinity between 9-mer epitopes and a well-conserved swine leukocyte antigen (SLA) receptor in the context of Porcine Reproductive and Respiratory Syndrome (PRRS). We use an internally generated dataset of 80 epitope-SLA docking affinities, each requiring more than 48 hours of high-performance computing (HPC). Multiple model families (linear, MLP, CNN, and a small transformer) are trained under strict low-data conditions within a pool-based active learning loop. In each case, optimal model configurations are identified by conducting large-scale hyperparameter optimization over the combined space of model architecture, training configuration, acquisition policy, and ensemble decision rules. To mitigate the effects of data subsample selection, each candidate configuration is evaluated by averaging performance over many randomized and balanced training and validation data subsets. Across experiments, transformer-based sequence models consistently emerged as the best-performing architecture, with active incremental learning yielding significant improvement over a baseline random sample acquisition strategy. Under moderate training data availability (N=30), the optimized ML-model configuration outperforms a standard baseline trained on twice the amount of data. Under higher training data availability (N=60), the same configuration achieves a peak accuracy of 86.8%, consistent with an upper bound of 85% classification accuracy based on two independent estimates of conformational noise.
Authors: Andrea Carriero, Davide Pettenuzzo, Shubhranshu Shekhar
Abstract: We introduce MACROCAST, a lightweight Time Series Foundation Model (TSFM) for real-time macroeconomic forecasting. Existing TSFMs suffer from data leakage in two forms: temporal contamination, as the model may have seen the realized values of the series it forecasts, and revision bias, as training on fully revised data diverges from the preliminary, vintage-specific releases available to real-time forecasters. MACROCAST is, to our knowledge, the first TSFM that rules out both forms of leakage entirely: at no stage of training is the model exposed to information that would not have been available to a forecaster in real time. We train MACROCAST first on purely synthetic time series in approximately one GPU-day and then fine-tune it on synthetic time series drawn from Bayesian VARs, dynamic factor models, and ARIMA specifications estimated on vintage-specific ALFRED data. Because pretraining uses only simulated data and fine-tuning uses only real-time vintages, no observed future or revised value ever enters the model; each fine-tuning run takes nine minutes. Evaluated on the FRED-MD database in a genuine real-time out-of-sample exercise, MACROCAST improves on the AR(1) benchmark for roughly 80% of series-horizon pairs, matches or surpasses Chronos-2 -- the strongest currently available TSFM -- and outperforms the Bayesian VAR and dynamic factor model benchmarks, all in a data-leakage-free manner.
Authors: Eryn Libert-Scott, Emma A. M. Stanley, Vibujithan Vigneshwaran, Matthias Wilms, Erik Y. Ohara, Nils D. Forkert
Abstract: Causally linking disease-related factors to image-derived biomarkers provides a powerful pathway to understanding disease mechanisms. Despite growing interest in applying causal artificial intelligence (AI) approaches for this task, these methods still need to be adapted for complex medical images, and especially, neuroimaging. However, the lack of ground-truth data presents a barrier to development. To bridge this gap, we developed and tested a method for generating synthetic neuroimages, which adhere to a user-specified causal structure describing the non-image to image variable relationships, permitting the creation of ground-truth neuroimaging datasets. In the simulated T1-weighted magnetic resonance images, anatomical variability is modeled by sampling from a subspace estimated from real data and deforming a template image to create unique simulated subjects. Causal relationships are encoded via precise volumetric changes of any region-of-interest without unwanted global artifacts. We achieved relative volume errors of 0.3-2.66% for the targeted regions-of-interest and demonstrate their statistically significant causal relationships, while maintaining mean absolute errors for non-target brain regions between 0.034-0.397ml. An initial evaluation of causal discovery methods exposes their limited ability to suppress spurious connections, highlighting the need for image-appropriate methods. Our framework is the first to enable the generation of realistic synthetic 3D neuroimages with explicit causal control that can serve as the missing ground-truth data necessary for the objective benchmarking and development of causal AI methods.
Authors: Dawon Ahn, Auder Der, Evangelos E. Papalexakis
Abstract: Accurately explaining hidden patterns in multi-aspect data has typically been done by leveraging labels and/or accompanying auxiliary metadata. However, labels and auxiliary data may be inaccurate (e.g. nonstandard, inconsistent), insufficient (e.g. static tabular metadata for time-dependent recordings), or unavailable. % We propose \fullmethod (\method), which leverages the knowledge of large language models (LLMs) to explain the hidden patterns in human narratives. \method uses task-agnostic and task-specific prompts to explain extracted co-clustered latent patterns from tensor decomposition. To evaluate these explanations, we test the LLMs on forward and backward inference tasks. % Our demo system is available at https://github.com/dawonahn/ECML_PKDD_AnTenA.
Authors: Guanqun Cao, Liang Chen
Abstract: Classical SLAM estimates metric poses and a geometric map but produces no actionable predictive model for planning. Action-conditioned world models learn compact latent dynamics for planning but ignore global metric consistency and accumulate drift under open-loop rollout. We argue these are two views of the same estimation problem and propose J-LAW (Joint Localization and Actionable World Modeling) in this letter: a coupled factor graph that jointly optimizes metric object poses, latent world states, and latent landmark embeddings. The bridge is a pose-conditioned latent encoder and a learned pose--latent coupling factor, so that better localization improves the world model and vice versa. We cast observation, action-conditioned prediction, metric odometry, pose--latent coupling, latent loop closure, and latent landmark observation as probabilistic factors in a single MAP objective. Real-data experiments on PushT and WildGS show that coupled graph correction substantially reduces latent prediction RMSE and endpoint drift relative to open-loop rollout, while latent loop closure improves global trajectory consistency. J-LAW yields a map that is simultaneously metric (poses) and actionable (latent landmarks for planning).
Authors: Kazuki Ota, Takayuki Osa, Tatsuya Harada
Abstract: Recent artificial intelligence (AI) systems have shown remarkable progress in mathematical reasoning. Many existing approaches, including large language models (LLMs), draw on human prior knowledge in the form of mathematical text, code, or theorem libraries. Although these approaches are highly effective in practice, it remains an open question whether an agent can autonomously discover useful theorems without such human priors. We study this question in a formal axiomatic system by developing an agent that starts from axioms and inference rules alone and gradually grows a library of useful theorems. Concretely, we propose a self-supervised theorem-discovery algorithm that alternates between proof search and useful-theorem extraction, building a theorem library whose entries are reused as lemmas for subsequent proof search. Experiments show that the agent discovers tens of thousands of theorems and finds proofs for human-written benchmark problems, suggesting that its discoveries include theorems meaningful from a human mathematical perspective. Furthermore, the discovered theorems improve LLM proof performance when provided as prompt lemmas, indicating that they can serve as external knowledge for LLM reasoning. Our results provide evidence that useful theorems can emerge from proof search without relying on human-provided theorem libraries. More broadly, they suggest a path toward self-evolving AI systems for mathematics whose discoveries remain formally verifiable.
Authors: Manasi Waghe, Danish Chandargi, Mohammad Aamir Rayyan, Raviraj Joshi, A. R. Deshpande
Abstract: Government documents in India are predominantly issued in regional languages such as Marathi, creating substantial accessibility barriers for non-native readers, interstate administrative bodies, and policy analysts. Although recent advances in neural machine translation have improved sentence-level translation quality, existing systems largely neglect document structure, formatting integrity, and domain-specific terminology, thereby limiting their applicability to official documentation. This paper presents a structure-preserving Marathi-to-English government document translation framework capable of performing end-to-end document transformation while maintaining layout fidelity. The proposed system integrates layout-aware optical character recognition, coordinate-based text extraction, large language model based translation, and structured document reconstruction through HTML representations. By enforcing spatial alignment constraints and preserving hierarchical document elements, the framework ensures structural consistency between the source and translated documents. Experimental evaluation on real-world Marathi government PDFs demonstrates improved structural preservation, translation coherence, and terminological consistency compared to conventional text-only translation pipelines. The proposed framework contributes toward scalable multilingual accessibility solutions for e-governance and administrative document processing.
Authors: Bingye Ni, Xiaoyu Wang, Yingli Wang, Lingjiong Zhu
Abstract: We study the leading-order fluctuation of stochastic gradient Euler-Maruyama estimators for generalized non-reversible Langevin dynamics. Under structural assumptions tailored to the small-stepsize central limit theorem and under an unbiased stochastic gradient oracle, we prove that the empirical average over a horizon of order the inverse squared stepsize satisfies a central limit theorem in the vanishing-stepsize regime. The limiting variance is characterized through the Poisson equation of the limiting full-gradient diffusion. We then rewrite this constant in an operator form that links it to the continuous-time asymptotic variance and, under standard operator-theoretic assumptions, derive a sufficient condition under which an anti-symmetric perturbation strictly reduces the leading-order fluctuation constant relative to the reversible baseline. We also identify bounded smooth predictive observables that re directly covered by the main theorem. As a separate Gaussian calculation beyond the bounded-test-function regime, we obtain closed-form formulas for quadratic Hamiltonians and linear observables. The framework covers non-reversible Langevin dynamics and augmented-state examples including Hessian-free high-resolution dynamics and a positive-definite subclass of gradient-adjusted underdamped Langevin dynamics that allow stochastic gradients. Numerical experiments on basic examples and Bayesian linear regression using synthetic data, and Bayesian logistic regression using real data support the predicted Gaussian fluctuations and show that the non-reversible schemes consistently reduce the root mean squared error (RMSE) relative to their reversible baselines.
Authors: Carel F. W. Peeters
Abstract: The common factor analytic model is related to Helmholtz and Boltzmann machines, can be conceived as a linear autoencoder, or can be thought of as a single-hidden-layer generative neural network. We thus consider it a basal generative representation learner that can be used as a minimal model for studying the foundational characteristics of (deep) generative model architectures. We focus on the fundamental problem of indeterminacy in latent factor projections. This indeterminacy implies that, even when the intrinsic dimension of the latent vector is known, regularity conditions are met, and rotational indeterminacy is resolved, an inherent indefiniteness in the retrieval of causative latent sources remains: they will be uncertain, distributionally deviant, and non-unique. This can have major implications for data representation but remains an elusive issue, even to practitioners and theorists well-versed in the factor model. Moreover, this classic psychometric problem is intricately related to the modern issue of latent variable collapse in the variational autoencoder framework for deep generative modeling. Here, we assess this indeterminacy from various perspectives and show how these are mathematically and conceptually related and we discuss subsequent implications for the Psychometrics, Statistics, and Artificial Intelligence communities. We show that one has latent factor determinacy across all its facets when the feature-dimension grows to infinity. This feeds into an essentially distribution-free estimation approach in the sample case when the number of features grows very large. We conclude, as these are emergent properties at scale, that the factor model is suited for representation learning of very-high-dimensional data.
Authors: Geoffrey Davis, Ashwin Renganathan
Abstract: Predicting the aerodynamic performance (e.g. lift, drag, and moment coefficients) of an aircraft is challenging -- computational models are biased and direct simulations are prohibitive. A pragmatic way to overcome this limitation is by calibrating low-fidelity computational predictions with experimental measurements. This, however, requires calibrating against \emph{sparse} measurements contaminated with \emph{uncertainty} in both the control inputs and the measured aerodynamic response. We develop a methodology to address this problem based on Gaussian process surrogates and the classical Kennedy-O'Hagan calibration. A surrogate model learned on abundant-but-cheap low-fidelity data is calibrated with a sparse set of measurement data. Crucialy, we develop a Bayesian latent Gaussian process based approach that marginalizes the calibrated surrogate model over the input uncertainty, while also matching the marginal mean and variance of the measured output uncertainty. Once calibrated, our surrogate model predicts the uncertainty in aerodynamic coefficients with very high accuracy, including at extrapolative input settings. We validate our calibrated surrogate model predictions against measurement data with \emph{true} uncertainty intervals to demonstrate that the model places $94.2-95.8\%$ of its predictive samples inside the released $95\%$ truth intervals, with endpoint cumulative probabilities very close to the nominal 0.025 and 0.975 levels.
Authors: Junyi Zou, Avrova Donz
Abstract: Long-context language models often conflate two different goals: compressing history into an efficient state, and maintaining reliable long-term memory. Linear, recurrent, and sparse attention reduce the cost of processing long sequences, but they do not by themselves specify when a fact should be written, overwritten, protected from distractors, or discarded. We study memory-managed long-context attention, a research route that separates a fast recurrent or sparse backbone from explicit editable request-local memory slots and query-time sparse fallback. Across structured synthetic tasks, token/chunk/sequence bridges, generated natural language, and local frozen-model diagnostics, pure fixed-state or pure sparse methods fail some overwrite, version, anti-pollution, or no-write-signal cases, while a hybrid covers both routes. A small 2,097,152-token mechanism stress test reaches 50/50 pooled accuracy with 2-132 active chunks. A 2.74M-parameter minimal causal event-token model reaches 595/600 with lite write supervision, supporting proof of trainability rather than scale. A six-family frozen-hidden-state bridge reaches 1079/1080 controlled pointer accuracy, but it uses generator-provided integer key IDs and separately encoded canonical key strings; it is an oracle-metadata probe, not open-text entity resolution. Local non-leaderboard RULER 4K diagnostics remain close to full context, whereas a 33-record LongBench v1 16K subset shows that naive lexical selection is not general. The evidence separates three claims: controlled slot lifecycle is feasible, sparse fallback is needed when writes lack future-query signals, and learned open-domain selection remains the main architectural bottleneck. We do not claim a final generative architecture, global slot-trajectory convergence, or systems superiority.
Authors: Xuanting Wu, Fan Zhanga, Fei Ma, Ling Guan, Guochun Ma, Yongsheng Zhou
Abstract: Synthetic aperture radar (SAR) data augmentation is important for improving the generalization of data-driven SAR interpretation models, yet practical augmentation workflows are often hindered by heterogeneous dataset formats, task-dependent metadata requirements, diverse generation methods, and weak validation of generated samples. This paper presents the \textbf{S}AR \textbf{A}ugmentation and \textbf{G}eneration \textbf{A}gent (SAGA), a schema-grounded and benefit-aware agent framework for task-oriented SAR data generation and augmentation. Given a natural-language request and heterogeneous SAR inputs, SAGA extracts observable dataset facts, validates executable dataset schemas, selects feasible augmentation strategies through validator-constrained planning, and compiles the selected strategy into an auditable augmentation workflow. Generated data are further assessed by quality, distribution, SAR-artifact, duplicate, leakage, and optional downstream-task evaluators to support evidence-qualified augmentation claims. By separating semantic proposal from deterministic validation and execution, SAGA improves the reliability and reproducibility of SAR augmentation decisions. Experiments on controlled agentic benchmarks and downstream SAR interpretation tasks show that SAGA improves schema grounding, skill planning, invalid-sample rejection, and downstream augmentation utility compared with rule-based, LLM-only, ReAct-style, and fixed-augmentation baselines.
Authors: Zhenyu Liu, Huaze Tang, Shao-Lun Huang
Abstract: In-context learning (ICL) is an emerging paradigm that employs the semantic information inherent in large language models (LLMs) for generating answers to user queries. While the remarkable performance of ICL has been widely known, a general modeling and a rigorous theoretical analysis of this paradigm are still lacking. This work presents a probabilistic model for ICL and derives the performance of ICL for both general parametric distributions and exponential families. Based on the derived results, the work explains the impact of multiple factors such as the number of demonstrations, the sensitivity of the probabilistic model to the variation of its parameters, as well as the similarity between the demonstrations and the query on the performance of ICL.
Authors: Edward Raff, Maor Ashkenazi, Sagar Samtani, David J. Elkind, Sven Krasser
Abstract: Cybersecurity is a real-life test-bed for many machine learning problems at once, especially when considering modern strides in using Large Language Models (LLMs) to automate processes as ``agents.'' Cybersecurity workflows require orchestrating hundreds of standard and bespoke tools through various formats. The scale of cybersecurity data is enormous; for example, a single malware sample can be viewed as a sequence of billions of tokens. The cost of labeling any file by experts is enormous and labor-intensive, in part because an adversary (possibly a well-funded nation state actor) is attempting to subvert your detection methods. Even skilled experts may disagree on the correct label, creating ambiguity in what constitutes ground truth. When deployed, models must run quickly on billions of items a day, where low-latency is critical for operational success, in a continuously changing environment. In addition, explainability is not optional: analysts demand clear reasoning for model decisions to cope with the large number of false-positive alerts they face daily, and to quickly develop remediation and understand how something went wrong. In short, the amount of complexity cybersecurity is greater than that of natural language and computer vision, and thus we posit that cybersecurity is the better test-case for general AI progress than other, well-studied fields.
Authors: Junyan Tan, Yifan Li, Minghao Wang, Zihan Chen, Haoyu Zhang
Abstract: Venture capital (VC) investment decisions face distinct challenges, such as multi-source heterogeneous data, non-stationary time series, and the demand for explainable predictions in high-stakes, low-data settings. To overcome these issues, we introduce \textbf{FinInvest-GTCN}, a Graph-Temporal-Causal Network that redefines the task from content recommendation to quantitative risk-return assessment. This architecture combines a relational graph encoder to capture the investment ecosystem's topology, a multi-scale temporal fusion module to handle long-term dependencies and non-stationarity, and a causal decision head that generates risk-adjusted predictions with interpretable causal attributions. A core innovation is the Meta-Causal Adaptation (MCA) strategy, which facilitates robust fine-tuning for new, data-scarce sectors by aligning updates with causally-plausible structures derived from meta-pretraining. Comprehensive experiments on proprietary VC datasets show that FinInvest-GTCN delivers state-of-the-art results, markedly lowering the primary Risk-Adjusted Mean Squared Error (RA-MSE) to 2.51 from a baseline of 3.05 and boosting the cumulative return of a simulated portfolio by 18.7\%. Ablation studies underscore the essential role of each component, while additional analyses confirm the model's stability, interpretability, and enhanced adaptability. This work pioneers a data-driven, explainable framework for investment decision support.
Authors: Junhan Li, Yuxin Zhang, Haoran Wang, Minghao Chen
Abstract: Learning to bid in repeated multi-unit auctions with bandit feedback poses a fundamental challenge. Existing methods often rely on rigid explore-then-exploit schedules, assume stationary adversaries, and optimize solely for bidder utility, thereby limiting adaptability and strategic robustness. To address these limitations, we introduce the A3M framework, which integrates adaptive deep reinforcement learning (DRL), explicit adversarial reasoning, and principled multi-objective reward design for online auction strategy optimization. A3M employs an actor-critic DRL backbone to dynamically balance exploration and exploitation, an opponent model for fictitious play against non-stationary adversaries, and a composite reward function to jointly maximize utility, auctioneer revenue, and fairness. We provide the first comprehensive empirical evaluation of this integrated approach against established baselines in both discriminatory and uniform price auctions. Results show that A3M reduces final regret by 30--40\% in standard settings, maintains robust performance against adversarial strategy shifts, scales favorably with the number of units $K$, and enables tunable multi-objective trade-offs. An extensive ablation study confirms the necessity of each core component. Our work establishes A3M as a powerful and flexible framework for learning in complex auction environments.
Authors: Aoying Zheng, Anqi Du, Zizhuang Deng, Yuxuan Chen
Abstract: Model quantization is essential for the efficient deployment of Large Language Models (LLMs), but introduces a critical vulnerability: Quantization-Conditioned Backdoor (QCB) attacks. In these attacks, malicious behaviors remain dormant in full-precision models and activate only after specific quantization distortions, bypassing standard security audits. To mitigate this, we introduce FlipGuard, a proactive defense framework that selectively perturbs model weights prior to quantization. By breaking the adversary's precise alignment between weight patterns and quantization boundaries, FlipGuard suppresses backdoor activation without requiring access to training data or trigger samples. We further propose the Defense Effectiveness Ratio (DER), a unified metric to jointly evaluate security gains, utility preservation, and computational cost. Extensive experiments across seven LLMs (including StarCoder and LLaMA-family models) and three quantization schemes (INT8, FP4, NF4) demonstrate that FlipGuard effectively neutralizes QCBs across three scenarios, i.e., vulnerable code generation, content injection, and over-refusal, achieving high security with negligible performance degradation.
Authors: Eun Cheol Choi, Youngrae Kim, Prabhu Pugalenthi, Hong-En Chen, Bo-Ruei Huang
Abstract: Large language models (LLMs) are increasingly used to simulate social survey responses, yet their outputs exhibit systematic biases: marginal distributions are skewed, response variance is poorly calibrated, and predictor-outcome relationships are attenuated. We ask a simple question: given a small pilot sample of human responses, can an LLM recover the statistical characteristics of a broader population? We decompose recovery along three axes: structural fidelity, marginal fidelity, and individual fidelity. Using a COVID-19 misinformation survey as a case study, we benchmark three families of approaches: prompting, rectification, and fine-tuning. The findings suggest that fine-tuning on small pilot samples offers a balanced approach for achieving multiple forms of fidelity, but the levels of such fidelity can vary across subsamples, potentially threatening pluralistic alignment.
Authors: Francesca Pia Panaccione, Eugenio Lomurno, Francesca Fati, Carlotta Pecchiari, Marina Rosanu, Luigi De Vitis, Lucia Ribero, Gabriella Schivardi, Giovanni Damiano Aletti, Nicoletta Colombo, Maria Francesca Spadea, Francesco Multinu, Matteo Matteucci, Elena De Momi
Abstract: Ovarian cancer is frequently diagnosed at an advanced stage, making preoperative contrast-enhanced computed tomography (CT) central to staging and surgical planning; yet the scarcity of annotated imaging data, compounded by privacy regulations, limits the development of generalizable computational models in this domain. Text-conditioned 3D CT synthesis has shown promise, but existing pipelines depend on paired radiology reports and have been evaluated only on chest CT. We propose OvESyn (Ovarian Evidence-based Synthesis), a framework that constructs standardized Findings and Impression sections directly from CT-derived imaging descriptors and routine clinical metadata, without any original radiology report, and uses them to condition a latent diffusion model adapted to 493 high-grade serous ovarian carcinoma patients. This is the first text-conditioned 3D CT synthesis framework adapted to an abdomino-pelvic oncologic setting. A systematic ablation over two adaptation axes, vision-language encoder alignment and generator fine-tuning, identifies generator domain adaptation as the operative mechanism for crossing the domain gap and establishing the target anatomy: without it, synthesis remains anchored to the thoracic pretraining domain, with Precision and Recall collapsing to zero and FID2.5D exceeding 140, regardless of encoder alignment. Encoder alignment instead refines intensity and fine detail. The full OvESyn attains the best distributional and intensity fidelity (FID2.5D 29.35, Precision 0.671, Wasserstein-1 0.044), while the generator-only variant maximizes coverage (Recall 0.645), reflecting a fidelity/coverage trade-off governed by encoder adaptation. Requiring only automatic segmentations and routine preoperative metadata, OvESyn supports transferability to report-scarce settings and provides a foundation for synthetic cohort generation in abdomino-pelvic oncologic imaging.
Authors: Irene Aldridge
Abstract: We show that net demand for liquidity by algo strategies is identifiable from its trade and price history alone, with no knowledge of its signal or optimization problem. An exact multi-period regret decomposition implies that the sign of this statistic classifies a linear strategy as a net liquidity consumer or provider, recovering the Kyle (1985) informed-trader/market-maker dichotomy from observables alone. Under an AR(1) cost process, the same statistic equals the product of strategy size and the squared Roll (1984) implied spread, making the correction a direct proxy for prevailing illiquidity. Extending to endogenous price impact and aggregating across N correlated strategies yields a liquidity-balance condition whose violation produces welfare loss scaling as N squared, a closed-form fire-sale externality. We calibrate to CRSP equity data (2016-2025), tracking implied spreads through the COVID-19 and 2022 rate-shock episodes, with an estimator computable in O(Tnd) time.
Authors: Soroosh Tayebi Arasteh
Abstract: Large language models (LLMs) increasingly summarize clinical evidence, where a claim's weight depends on how strongly it is supported. Yet these models convey confidence poorly, and properties they never state, such as truth, are often readable from their activations. Whether a clinical model registers evidence strength, distinct from truth, and states it when asked is untested, and any such signal could be lexical. We compiled 45,134 clinical claims from six public sources, harmonized 20,611 into a four-level evidence grade under three independent frameworks, and tested 22 local, open-weight LLMs from several developers (0.6-70 billion parameters; general, medical, and reasoning), with lexical, truth, and cross-framework controls. A linear estimator recovered the grade in every model (median AUROC 71.8), yet decodability did not rise with scale and was weakest in reasoning models. The grade the models stated fell to chance, 25-27 percentage points below the estimator. The recoverable signal was largely lexical and did not transfer across topics or frameworks, yet it was distinct from factual truth and still flagged weakly supported claims (AUROC 69.2). Clinical LLMs thus carry an ordered evidence-strength signal they do not express, so their stated grades fail to convey a claim's support even when it is recoverable from their representations and text.
Authors: Samuel Ahnert, Esther Lagemann, H. Jane Bae, Kunihiko Taira, Ricardo Vinuesa, Christian Lagemann, Steven L. Brunton
Abstract: Extracting interpretable, localized physical mechanisms from complex spatiotemporal data is a foundational challenge across physics, biology, and engineering, but has remained out of reach on real measurements. The central obstacle is obtaining high-quality gradients of data via numerical differentiation, which amplifies noise, diverges for high-order equations, and falters on irregular geometries, limiting the scope of existing approaches to clean simulations of low-order systems. Here, we present weak dominant balance, a derivative-free framework that projects governing equations into a weak (integral) formulation, offloading differentiation onto smooth analytical test functions and leaving the data untouched. The method sustains accurate regime identification under severe noise where existing approaches categorically fail, delivers the first data-driven decomposition of a third-order partial differential equation applied to turbulent duct flow, and produces matching decompositions across direct numerical simulation and particle-image velocimetry measurements of a wavy channel flow, uncovering a previously uncharacterized dynamical regime. Weak dominant balance brings mechanism-level analysis out of simulation and onto measured data, and opens complex physical systems to direct, equation-grounded interpretation.
Authors: Fabio Ciani, Harald Schweiger, Emilia Parada-Cabaleiro, Markus Schedl
Abstract: Text encoders are known for their utility in natural language processing, as they are able to efficiently compress inputs into dense vectors while preserving semantics. These models have been applied to affective computing, in particular to help with solving sentiment analysis and emotion recognition tasks. Nevertheless, it remains unclear to what extent the latent representations produced by modern text encoders capture well-defined psychological theories of affect. In this work, we investigate the affective capabilities of twelve recently released text encoders by probing their generated embeddings as input features for solving regression and classification tasks across three established emotion frameworks, using both word- and sentence-level data. Additionally, we apply a semantic data-leakage prevention technique to improve robustness in word-level evaluations. Our main findings show that the latent manifolds of the latest instruction-aware open-weight encoders enclose an equal or even a larger amount of affective information in comparison with proprietary counterparts when evaluated at word level. In contrast, embeddings of task-tuned and proprietary encoders reach the highest scores on sentence-level affective classification. Furthermore, a qualitative analysis of latent representations and their encoded affective cues is provided.
Authors: Young-Jun Lee, Seungone Kim, Minki Kang, Alistair Cheong Liang Chuen, Zerui Chen, Seungho Han, Taehee Jung, Dongyeop Kang
Abstract: Would experience designing faster GPU kernels also help close in on a long-standing open mathematical conjecture? Large Language Models (LLMs) integrated into evolutionary search have recently produced state-of-the-art solutions on optimization tasks, including open mathematical conjectures, GPU kernel design, scientific law discovery, and combinatorial puzzles. To achieve this, prior work applied search scaffolds to one target task at a time, so every new problem is approached from scratch and the experience accumulated during search is discarded once the model finishes its attempt. This leaves the capability of iteratively evolving a solution (e.g., knowing which part to mutate and how, deciding when to backtrack) entirely in the scaffold rather than in the model itself. Whether the model itself could acquire this capability and reuse it across different tasks has been largely unexamined. To address this, we introduce Evolution Fine-Tuning (EFT), a mid-training paradigm that teaches LLMs to evolve solutions across tasks by converting evolutionary search trajectories into supervision. We construct Finch Collection, a 156K-trajectory dataset spanning 10 domains and 371 optimization tasks, and fine-tune open-source LLMs from 2B to 9B parameters. Empirically, EFT confers cross-task generalization: across 22 held-out tasks, our models surpass their base counterparts by 10.22% on average. Furthermore, when paired with test-time RL, our model matches state-of-the-art performance on two circle-packing tasks and outperforms its base-model counterpart on the Erd\H{o}s minimum-overlap problem. EFT thus serves as a "practice phase" for general-purpose discovery agents that do not solve new problems from scratch.
Authors: George Coote, Matthew J. Colbrook
Abstract: Koopman theory promises linear structure in nonlinear dynamics, but numerical Koopman spectra are easy to compute and hard to trust. A finite EDMD matrix always has eigenvalues; the problem is that many of them may have nothing to do with the infinite-dimensional operator. In this paper we make spectral reliability the objective of dictionary learning. We train neural-network dictionaries not merely to predict the next snapshot, but to minimize Residual Dynamic Mode Decomposition residuals: operator-level a posteriori errors that test whether computed eigenvalues and modes are genuine Koopman spectral objects. To keep the learned observables from collapsing into an unstable coordinate system, the loss also penalizes the condition number of the lifted data matrix. Thus the method couples two requirements that should not be separated: small Koopman residuals and a well-conditioned representation. The result is a learned dictionary that is expressive, numerically stable, and spectrally disciplined. Across conservative and dissipative benchmark systems, the method sharply reduces spectral pollution, improves residual pseudospectral inclusion, and lowers forecast error relative to standard fixed dictionaries. On sea-surface temperature data, it gives cleaner Koopman diagnostics and substantially better one-step forecasts from noisy observations with no governing equations. The message is simple: neural Koopman learning should be judged not by prediction alone, but by whether its spectral claims can be certified. Residuals provide the certificate; conditioning makes it computable.
Authors: Giorgio Angelotti, Stephen Parsons, Federica Nicolardi, Youssef Nader, Sean Johnson, David Josey, Paul Henderson, Hendrik Schilling, Johannes Rudolph, Forrest McDonald, Elian Rafael Dal Pr\'a, Paul Tafforeau, Alessandro Mirone, Clifford Seth Parker, Jan Paul Posma, Benjamin Kyles, Claudio Vergara, Alessia Lavorante, Rossella Villa, Maria Chiara Robustelli, Marzia D'Angelo, Gianluca Del Mastro, Michael McOsker, Kilian Fleischer, Christy Chapman, Nat Friedman, William Brent Seales
Abstract: The carbonized papyri from Herculaneum preserve the only large-scale library to survive from classical antiquity, but many unopened rolls remain unread because physical opening risks irreversible damage. X-ray computed microtomography ($\mu$CT) and virtual unwrapping offer a non-invasive route to their texts, yet previous work on sealed Herculaneum scrolls has recovered only localized readings or limited surface regions. Here, using high-resolution phase-contrast $\mu$CT acquired on the BM18 beamline at the European Synchrotron Radiation Facility (ESRF), together with improved computational unrolling and machine learning, we achieve the complete virtual unwrapping and reading of PHerc. 1667 under explicit coverage and papyrological-review criteria. This makes PHerc. 1667 the first Herculaneum papyrus to be fully digitally unrolled and read for extended scholarly study without physical opening. In PHerc. Paris 4, the optimized scan protocol makes ink directly visible in the tomographic volume, allowing three-dimensional ink segmentation and independent validation of surface-conditioned ink recovery. In PHerc. 139, we recover title and author-attribution evidence identifying the scroll as Philodemus, On Gods, Book 8. These results move virtual unwrapping of the Herculaneum scrolls beyond isolated demonstrations towards a scalable framework for systematic recovery of the still-unopened library.
Authors: Jing Yang, Mayoore Jaiswal, Zian Wang, Steven Zeng, Rochelle Pereira, Yajie Zhao, Jianyuan Min
Abstract: Diffusion-based video relighting enables controllable relighting from a single input video, but modern video diffusion backbones are trained on short clips and applied to long-horizon videos through chunked sliding-window inference, often causing temporal discontinuities at chunk boundaries. We address this by reframing long-horizon relighting as \emph{temporally conditioned latent domain translation}. Our framework enforces cross-chunk continuity by propagating target-domain latents across boundaries and makes this behavior learnable using \emph{masked target-domain self-conditioning}, training the model to continue from temporally masked propagated context. We further introduce \emph{warm-start prompting} with a relit prompt anchor from a controllable generative model, which establishes the initial target-domain state and creates a general interface for prompt-based relighting. Experiments on in-the-wild long-horizon videos show markedly improved temporal consistency, with chunk-boundary artifacts largely reduced and unwanted appearance changes across chunks greatly suppressed.
Authors: Stephan Goerttler, Min Wu, Fei He
Abstract: A growing number of techniques leverage the spatial structures that underlie many real-world datasets. Despite these advances, the complementary task of estimating spatial structures and understanding their role within these techniques has often been overlooked. In neurophysiological data analysis specifically, numerous methods exist to estimate brain connectivity, but most are not explicitly model-based, dynamic, multivariate, or directed. To address these limitations, we previously introduced noise-driven heat modelling on graphs for neurophysiological connectivity estimation. In this study, we extend this framework by relaxing earlier noise assumptions and adding regularisation to improve robustness. We also develop a simulation procedure to characterise and evaluate our technique in a controlled setting. Finally, we demonstrate that the technique is able to capture meaningful spatial structure across two experiments, each using two real-world datasets. The explicit model formulation of our connectivity estimator has the potential to improve the interpretability of graph-based techniques across a wide range of applications. The code implementing our method is available at https://github.com/sgoerttler/Heat_Connectivity.
Authors: Abdullah Al Shafi, Md Kawsar Mahmud Khan Zunayed, Safin Ahmmed, Sk Imran Hossain, Engelbert Mephu Nguifo
Abstract: Jointly learning to segment and classify medical images demands cross-task synergy, yet encoder-sharing architectures limit decoder reconstruction to task-private representations, permanently discarding the boundary cues and semantic priors each branch could supply to the other. This work introduces BTI-Net, which establishes bidirectional communication at every decoder level through two parallel pathways via Task Interaction Modules (TIM). Spatial boundary context is gated into the classification branch, while global semantic priors multiplicatively modulate the decoder, with refined features propagating progressively from coarse semantics to fine boundary detail across all four decoder resolutions. Since cross-task interaction is not equally reliable for every input, Uncertainty Proxy Attention (UPA) gates each TIM output per instance and per level using three signals that capture cross-task alignment, scene complexity, and prediction confidence, without external annotations or additional inference passes. Experiments on three medical benchmarks spanning ultrasound, dermoscopy, and brain MRI demonstrate consistent improvements in segmentation IoU and classification accuracy over both encoder-sharing and decoder-interaction baselines. Ablation confirms adaptive gating contributes +2.36 IoU over fixed bidirectional interaction, and classification accuracy improves by up to +2.26 points over the strongest multi-task baseline. UPA's uncertainty proxies serve as reliable single-pass task-failure signals without the overhead of stochastic sampling. Code: https://github.com/C-loud-Nine/BTI-Net_MTL
Authors: Hooman Torkaman, Ellis Oti Boateng, Jignesh Solanki, Anurag Srivastava
Abstract: Post-hurricane damage assessment and repair scheduling can require computationally intensive simulation and optimization. This paper presents an integrated two-stage deep-learning tool for rapid damaged-line identification and repair-schedule computation. An available offline synthetic dataset for the IEEE 9500-node test feeder contains 1,700 hurricane scenarios with exposure features, grid metadata, fragility parameters, OpenDSS outputs, damaged-line labels, and Adaptive Large Neighborhood Search reference schedules. Stage 1 benchmarks MLP, ResMLP, and GraphSAGE, while Stage 2 compares MLP, DeepSets, and Set Transformer. The selected ResMLP-Set Transformer pipeline propagates Stage 1 errors into Stage 2 and achieves a damaged-job F1-score of 0.920, pairwise order agreement of 0.854, and start- and end-time mean absolute errors of 4.349 min and 4.486 min, respectively. The tool provides rapid initial repair-log decision support for new hurricane cases.
Authors: Brian Keith-Norambuena
Abstract: Graph-based narrative extraction relies on a coherence function to score transitions between events, but the coherence metrics in current use are defined operationally and lack an information-theoretic foundation. We study the composite metric $C=\sqrt{A\cdot T}$, where $A$ is the angular similarity of document embeddings and $T=1-d_{\mathrm{JS}}$ is a topic proximity from the Jensen-Shannon distance of soft memberships, and give it an information-geometric reading together with an axiomatic characterization of the geometric-mean combinator. On the product manifold $\mathbb{S}^{d-1}\times\Delta^{K-1}$, the negative log-coherence decomposes additively into an angular and a topic cost. Because the Riemannian metric tensor induced by the Jensen-Shannon distance on the simplex is proportional to the Fisher information matrix, the topic component is locally consistent with the Fisher-Rao metric singled out by Chentsov's theorem. Within the compensability spectrum of combinators, the geometric mean is the unique one consistent with four natural axioms (a boundary/veto condition, symmetry, log-additivity, normalization), and the construction motivates a proper product metric $d_\times$. Experiments on four corpora, three embedding families, and three topic models are consistent with the framework: the Fisher identity holds ($R\ge0.99$), the geometric mean tracks $d_\times$ closely ($\rho=0.999$), and a downstream LLM-as-judge check finds it is not dominated by any alternative combinator or single-channel baseline. Sweeping the spectrum, the bottleneck-coherence gap between extracted and random storylines splits into a symmetric component, maximized at the geometric mean across five corpora, and a displacement term; a cross-modal image-narrative case study reproduces the effect. These results justify the composite coherence metric and articulate when the geometric mean is the natural choice.
Authors: Yi Shi, Yifeng Jiang, Chen Tessler, Xue Bin Peng
Abstract: Developing controllers capable of completing a wide range of tasks in a natural and life-like manner is a key challenge in enabling practical applications of physics-based character animation. In this work, we introduce Generative Pretrained Controllers (GPC), which leverage tokenization and next-token modeling to create general-purpose, reusable generative controllers from large-scale motion datasets. Our framework utilizes end-to-end reinforcement learning to jointly optimize a "motion vocabulary", modeled via Finite Scalar Quantization (FSQ), along with a corresponding control policy that can map the discrete codes to physics-based controls. After the "codebook" has been learned, the underlying structure of this large vocabulary is modeled by training a GPT-style autoregressive transformer, leading to a powerful generative controller that generates controls for a physically simulated character by performing next-token prediction. Once the generative controller has been trained, we propose a suite of adaptation techniques for finetuning the controller for new downstream tasks. Our proposed framework greatly simplifies the training process compared to previous tokenized methods, and achieves a 99.98% success rate in reproducing a vast corpus of motion clips. The generative controller exhibits a variety of natural emergent behaviors, such as responsive behaviors to perturbations and recovery behaviors after falling. This results in highly robust general purpose controllers for a variety of downstream applications.
Authors: Pranath Reddy
Abstract: When does retention matter for memory-augmented LLM agents? We study this with TraceRetain, a lightweight framework for bounded external memory in frozen LLM agents that scores entries by interpretable features (success, age, access frequency, redundancy, specificity, similarity, downstream utility) and evicts the lowest-scoring ones at capacity. On clean ALFWorld with gpt-5-mini, external memory robustly improves over no memory across two seeds, but differences among bounded retention policies fall within Wilson 95% CIs: clean ALFWorld at T=100 to T=200 does not naturally exhibit the memory pollution retention is designed to address. Under a controlled noisy-write stress (75% synthetic distractors), unbounded memory and FIFO-K50 degrade on Precision@5 (20.2% to 12.4% and 15.8% to 3.8%) while TraceRetain-CEM is essentially unchanged (16.9% to 16.6%) and preserves 97/100 task success. The mechanism: unbounded memory has the highest mean similarity (0.87) but lowest precision, indicating failed distractors close to the query in embedding space. Held-out in-distribution evaluation shows memory-augmented policies solving 47 to 49 of 50 tasks vs. 39/50 for no memory. Bounded retention buys memory and step efficiency on saturated clean benchmarks at no task-success cost, and only differentiates from cache heuristics when streams contain noise.
Authors: Dhruv Agarwal, Reece Adamson, Andrew McCallum, Peter Clark, Ashish Sabharwal, Bodhisattwa Prasad Majumder
Abstract: Open-ended scientific discovery with large language models (LLMs) increasingly operates as a long-horizon loop of hypothesis search and verification, where a reward signal guides which hypotheses to test next. A notable recent example is AutoDiscovery, which uses "Bayesian surprise" - the belief shift an LLM undergoes after observing evidence for a hypothesis - as both a discovery metric and a reward for search. We first observe that AutoDiscovery treats surprisal as a static quantity, while surprisal in human reasoning is non-stationary - it is defined relative to beliefs that evolve with experience, a prerequisite for continual scientific discovery. We address this mismatch with evidence-informed LLM beliefs: priors updated with evidence from previous hypotheses to compute non-stationary surprisal for new hypotheses. We compare in-context belief-updating mechanisms and find that embedding-based retrieval-augmented generation over prior discoveries best anticipates eventual posteriors, identifying 37.5% of static surprisals as spurious. We then modify search to avoid these spurious rewards and prioritize hypotheses that remain surprising under non-stationary beliefs. Concretely, we introduce two complementary changes to the original search procedure: belief-update filtering and diversity maximization. Across five discovery domains, our method increases accumulated non-stationary surprisal by 30.62% on average compared to the original search procedure, demonstrating that continual scientific discovery with LLMs requires not only better belief measurement but also search procedures that avoid redundancy and encourage diversity.
Authors: Hengxiang Zhang, Jiaxi Ren, Hongxin Wei
Abstract: Despite the capability of parallel decoding, diffusion large language models (dLLMs) require many denoising steps to maintain generation quality, motivating recent research on efficient decoding strategies. However, existing studies have reported inconsistent evaluation results even under seemingly identical evaluation settings, risking biased conclusions about dLLM decoding methods. To understand this evaluation concern, we conduct a rigorous evaluation of current decoding methods for dLLMs across diverse evaluation settings. Surprisingly, our analysis reveals that the ranking of decoding methods is highly sensitive to the choice of prompt templates. Single-template evaluation can lead to an illusion that decoding methods improve inference efficiency without performance degradation. Through comprehensive experiments, we find that current parallel decoding methods consistently underperform the single-token decoding baseline, failing to overcome the speed-quality trade-off. We further identify this evaluation inconsistency as the high sensitivity of parallel decoding methods to minor variations in prompt templates. Our experiments show that an effective prompt template can achieve strong evaluation results even with fewer denoising steps, markedly outperforming the marginal gain from increasing denoising steps. Beyond prompt templates, our experiments indicate that overlooked evaluation settings can also notably affect the assessment of decoding methods. Based on these findings, we propose practical guidelines for the reliable evaluation of decoding methods in dLLMs.
Authors: Peilin Liu, Ding-Xuan Zhou
Abstract: In recent years, models based on the Transformer architecture have seen widespread applications and have become one of the core tools in the field of deep learning. Numerous successful techniques, such as parameter-efficient fine-tuning and efficient scaling, have been proposed surrounding their applications to further enhance performance. However, the success of these strategies has always lacked the support of rigorous mathematical theory. To study the underlying mechanisms behind Transformers and related techniques, we first propose a Transformer learning framework motivated by distribution regression, with distributions being inputs, connect a two-stage sampling process with natural language processing, and present a mathematical formulation of the attention mechanism called attention operator. We demonstrate that by the attention operator, Transformers can compress distributions into function representations without loss of information. Moreover, with the advantages of our novel attention operator, Transformers exhibit a stronger capability to learn functionals with more complex structures than convolutional neural networks and fully connected networks. Finally, we obtain a generalization bound within the distribution regression framework. Through the aforementioned theoretical results, we further discuss some successful techniques emerging with large language models (LLMs), such as prompt tuning, parameter-efficient fine-tuning, and efficient scaling. We also provide theoretical insights behind these techniques within our novel analysis framework.
Authors: Abhranil Chandra, Sankaran Vaidyanathan, Utsav Dhanuka, Varun Gandhi, Scott Niekum
Abstract: Large language models (LLMs) are increasingly used to take actions in the real world and support human decision-making, yet most agents rely on parametric knowledge, fixed post-training data, retrieval, or search. This paradigm breaks down in novel domains and for sophisticated queries that cannot be answered from prior knowledge alone. Knowing the laws of physics, for instance, does not by itself enable LLMs to answer queries or complete long-horizon tasks in a complex physical system. To address this, we introduce Hierarchical Experimentalist Agents (HExA), an in-context self-improvement framework to learn from active experimentation. HExA iteratively designs and refines query-relevant experiments, learns a reusable library of composable skills from experience, and integrates experimental evidence to answer queries or take actions. HExA is training-free, compatible with any black-box model, and does not require external supervision, oracles, or offline data. To evaluate active experimentation, we introduce Interphyre, a tool-calling benchmark built on the PHYRE 2D procedural physics environment, where agents propose interventions and test hypotheses through simulation APIs. Experiments show that current LLM agents struggle in these settings, especially on the hardest levels of Interphyre. Claude Sonnet 4.6 achieves only 2% success, while HExA improves the same model to up to 77% success. HExA also improves open-weight models and outperforms agentic baselines such as ReAct and Reflexion. Moreover, using only skills learned from easier levels and transferred without active experimentation, HExA achieves 44% success, demonstrating the reusability and generalization of its learned skills. Overall, HExA shows that learning through active experimentation can help agents discover useful knowledge, acquire reusable skills, and make efficient progress on novel long-horizon tasks.
Authors: David Cortes
Abstract: Gradient boosting in the form of decision tree ensembles has successfully been applied to a variety of problems using simple objective functions based on log-likelihoods of a single variable. The concept extends naturally to objective functions operating on vectors - for example, multinomial logistic log-likelihood for multi-class classification, where observations have a score for each class - but popular frameworks approach these functions by either updating one value of the input vectors at a time, or by using a diagonal upper bound on the second derivative. This work extends the usual gradient boosting framework to functions of vector inputs and sketches a simple algorithm that can be used efficiently with histogram-based decision trees.
Authors: Isao Kurosawa
Abstract: Reliable event detection underpins induced-seismicity monitoring for Carbon dioxide Capture and Storage (CCS) and geothermal operations, distributed acoustic sensing (DAS), and industrial condition monitoring. In each setting a detector must stay reliable both when sensors fail and when the signal is buried in noise. These two failure modes are routinely conflated, and architectural complexity is often credited with robustness it may not deserve. We assemble a unified binary event-detection benchmark from three physically distinct real sources -- Hi-net seismic waveforms, Utah FORGE 2024 borehole DAS, and MAFAULDA industrial vibration -- each mapped to a common 8-channel, 256-sample representation, and evaluate a fault-tolerant detector (CEPHALON) trained with per-sample sensor-dropout against standard detectors (a 1D convolutional network, a temporal convolutional network, and a compact Transformer) trained with an identical recipe. On clean data every model is near-perfect (AUC ~ 0.99). Under progressive sensor loss, simple models with sensor-dropout are already robust and CEPHALON holds no advantage. Under additive noise, however, CEPHALON degrades far more gracefully: at -2.5 dB its overall AUC is 0.939 versus 0.532-0.572 for the convolutional baselines. Same-architecture ablations isolate the cause: disabling internal redundancy at inference reduces the low-SNR advantage only modestly, whereas removing sensor-dropout training collapses it (0.899 to 0.603 at -5 dB). The training recipe is therefore the dominant cause and parallel redundancy only secondary. We release a complete, numbered, reproducible pipeline so that every figure can be regenerated.
Authors: Xiao Wang, Liye Jin, Dan Xu, Yuehang Li, Lan Chen, Yaowei Wang, Yonghong Tian, Jin Tang
Abstract: Vision-language tracking guided by natural language specifications leverages high-level semantic cues of target objects to substantially boost tracking accuracy and robustness. Existing studies have verified that adaptively optimizing textual descriptions throughout the tracking process can effectively mitigate the semantic-visual mismatch induced by dynamic variations in target appearance, position, and other inherent attributes. Nevertheless, mainstream methods that directly generate textual information via sequence models or large language models inevitably suffer from inherent defects, including erroneous target updating, excessive background distraction, and pervasive hallucination artifacts. To address the aforementioned limitations, this paper proposes a novel language dependency parsing mechanism to precisely distill core tracking principal components, encompassing target objects, semantic concepts, and background contextual information. On this basis, we perform component-aware adaptive textual description updates by exploiting the powerful cross-modal understanding capability of the pre-trained vision-language model Qwen-VL. By integrating the proposed elaborately designed modules into the baseline framework, our method achieves consistent and superior tracking performance on multiple large-scale vision-language tracking benchmarks, including TNL2K, LaSOT, TNLLT, and OTB-LANG. The source code and pre-trained models will be released at https://github.com/Event-AHU/Open_VLTrack.
Authors: Stefan Domunco, Andis Draguns, Philip Torr, Isaac Robinson, Christian Schroeder de Witt
Abstract: In recent work it has been shown that colluding AI agents can use steganographic methods to exchange malicious information. Whether a transformer can implement steganographic methods depends on what cryptographic functions it can implement, since a transformer that can implement a cryptographic function within its layers has source-free randomness access. Despite existing circuit-complexity results, no prior work maps specific cryptographic constructions to transformer architectures. As Merrill et al. have shown that saturated transformers can be seen as threshold circuits, we first generate threshold circuits for three different cryptographic constructions (Keccak functions, Merkle--Damgard constructions and Merkle Trees) and then map these circuits to different transformer architectures. We derive verified scaling laws for the width and depth of the circuits which implement each cryptographic construction and propose two different mappings: no-attention mapping, tokens-as-gates mapping. Beyond its security implications, this work contributes to by establishing a methodology for deriving structural guarantees on transformer computational capacity. Specifically, we derive constructive upper bounds on what a transformer of a given depth and width could plausibly compute, providing a principled foundation for capability evaluations of transformer-based AI systems.
Authors: Louis Berthier, Ahmed Shokry, Maxime Moreaud, Guillaume Ramelet, Aymeric Dieuleveut
Abstract: Conformal prediction guarantees marginal coverage, but pooled calibration averages over heterogeneous regions and can mask regional undercoverage in safety-critical subgroups. We introduce Self-Organized Conformal Prediction (SOCP), a calibration scheme that discovers input-space groups with a Self-Organizing Map (SOM) and, at test time, draws a local calibration buffer from the query's best-matching unit (BMU) cell or a fixed grid neighborhood. The same retrieval rule applies to regression and classification tasks across tabular features and image embeddings, leaving the predictor and nonconformity score untouched. SOCP gives exact validity for BMU-cell retrieval and fixed retrieved-set validity for neighborhood buffers; central-cell validity for neighborhood retrieval holds up to a Kolmogorov-Smirnov (KS) bias term. A split-routed extension recovers fixed retrieved-set validity conditional on the routing split. On eight regression and classification benchmarks, SO-SCP reduces the weighted regional coverage gap on $7/8$ datasets (mean paired change $-7.1\%$) for a mean prediction-set size increase of $6.2\%$, with negligible overhead on the largest six datasets; SO-CQR yields smaller gains, since quantile regression already absorbs much of the heterogeneity. By learning groups directly from the input geometry, SOCP provides group-local calibration with exact fixed-group guarantees and approximate central-cell guarantees, without supervised partitions or predictor retraining.
Authors: Xingyu Peng, Junran Wu, Yue Hou, Zhongliang Qiao, Jiaheng Liu, Shangzhe Li, Jichang Zhao, Wenjun Wu, Xianglong Liu, Yongxin Tong, Li Dong, Ke Xu
Abstract: Can a vision model truly see an object, or does it only fit surface-level visual cues? Following Wittgenstein's view that the limits of language are the limits of the world, we view a model's recognition ability as bounded by the descriptive system it has learned. In current vision models, this system is often realized through learned feature representations that exploit local statistical cues. We therefore ask whether a model can still classify correctly when such local cues provide no stable basis for distinction. We formalize this question with syntactic distance, which measures class separability through the symmetry of the operations mapping one class to the other: positive distance exposes exploitable local features, whereas zero distance requires global semantics rather than local rules. We construct a visual self-referential task in maximum-variance binary noise: positive samples contain a closed square, while negative samples contain an otherwise identical square with one flipped boundary pixel. The two classes differ in global semantics but have zero syntactic distance, making local statistical shortcuts unreliable. Experiments on ResNets and Vision Transformers reveal a consistent phase-transition phenomenon, with accuracy collapsing to random guessing once the image scale crosses a critical point and does not recover within the tested range. Larger training sets and models only delay this collapse, while globally attentive ViTs reach it earlier. These results reveal a structural capability boundary of current architectures on global-concept tasks, suggesting that general intelligence may require creating new language, not reusing an existing one.
Authors: Chenhui Zhu, Fei Wang
Abstract: We study operator learning for random obstacle-to-solution maps arising from elliptic variational inequalities with finite-band self-affine random obstacle fields. Instead of introducing an explicit truncated stochastic parametrization of the random input, we learn the map directly from sampled obstacle realizations on a fixed grid. This problem is challenging because the solution is governed not only by the obstacle field itself, but also by the induced contact set and free-boundary geometry. We introduce a post-training least-squares readout refit for the Fourier neural operator (FNO). After the FNO is trained end to end, its nonlinear backbone is frozen and the final affine readout is recomputed by solving the induced linear least-squares problem over all training samples and grid points. The refit yields the empirical squared-error optimal readout for the learned frozen features while leaving the nonlinear representation unchanged. We compare vanilla DeepONet, POD-DeepONet, a two-stage DeepONet baseline, FNO, and FNO with least-squares readout refit (FNO-LS) on two obstacle ensembles with different amplitude levels. Numerical results show that FNO-LS achieves the strongest overall performance among the tested models, particularly for higher-amplitude obstacles with more complex contact geometry. The method improves average field accuracy, contact-set recovery, and obstacle-violation metrics at low additional cost, especially when the FNO backbone is informative but not fully converged. These results suggest that least-squares readout refit is a simple and effective post-training enhancement for learning random obstacle-to-solution maps.
Authors: Yuecai Han, Jianming Xu
Abstract: In this paper, we develop a fractional stochastic neural network with residual dynamics driven by fractional Brownian motion. By introducing a discrete stochastic maximum principle for the network, we construct the corresponding adjoint recursion. For deterministic network parameters, we prove mean square convergence of projected samplewise stochastic gradient descent. Numerical experiments include a closed form convergence test, noisy regression with uncertainty quantification, long memory time series generation and image classification under structured perturbations. The results identify settings in which fractional drivers improve long memory recovery or robustness relative to Brownian and deterministic baselines.
Authors: Subhadip Mitra
Abstract: Inference-time safety methods for large language models have proliferated, yet no systematic comparison exists. We evaluate five defense paradigms (no defense, static steering, CAST, AlphaSteer, probe-gated) across seven instruction-tuned models (7-31B) and five attack types (GCG, AutoDAN, DeepInception, prefilling, intent laundering). Our central finding: prompt-time activation defenses are structurally blind to prefilling attacks. AlphaSteer achieves 0% attack success on GCG, AutoDAN, and intent laundering but 50% on prefilling. We prove a corollary: any defense that gates intervention on a single layer's activation alignment with a benign reference (cone, subspace, or null-space) is blind to attacks that craft activations to lie inside that reference, whether checked at prompt time or per token. As its constructive contrapositive we introduce response-time probing: a linear probe on the model's hidden state at the first generated tokens, with AUROC 0.97-1.00 across all seven models. Combined with a halt, it cuts prefilling attack success to 0/40 on every model with 0% benign false positives, outperforming Llama Guard 3. Cross-template generalisation depends on probe depth, so we scope the claim to the canonical prefilling-template family. Composing the response-halt with AlphaSteer's null-space steering gives an orthogonal split (the halt catches prefilling, AlphaSteer catches semantic attacks), reaching defense success 0.983 on Mistral and 0.994 on Llama and dominating both components. We further show MMLU fails to capture steering's true utility cost, which appears as behavioral hedging rather than factual loss, and that diverse negative training sets cut probe false positives from 80-100% to near zero. Code, attacks, per-sample results, and the judge prompt are released.
Authors: Zain Naboulsi
Abstract: When two companies bid to buy the same target, no one knows exactly what the target is worth. Each bidder pays for due diligence: costly, imperfect homework that sharpens its own private estimate before it bids. How much of that homework is worth buying? We build a simple computer model of the bidding contest and let it teach itself to bid well by playing against itself, the way a game engine learns chess. The economic question, how much diligence pays for itself, and the computational question, when the contest becomes too complex to solve exactly, are both controlled by a single thing: how many pieces of private information a bidder carries. Our main finding is that the right amount of diligence is modest and finite. It falls as diligence gets more expensive, and it falls further when both sides are doing their homework, because competition erodes the value of knowing more. We also test a recent claim from AI research: that simple, general self-play methods can rival the specialized, expensive algorithms usually built for games like these. Running on an ordinary laptop with no costly frontier AI, we find the simple methods are the best of the self-learning approaches, though purpose-built exact methods still win whenever the game is small enough to solve outright. The simple methods earn their keep only once the game grows too large to solve exactly, which is the regime real deals live in, and there we show they still find strong bidding strategies. The contribution is threefold: a cheap, reproducible way to study deal-making under uncertainty; a concrete, model-based answer to how much due diligence is worth buying; and evidence about when lightweight, general-purpose AI is good enough to replace specialized methods. We release all the games, code, and experiments.
Authors: Martin Anthony
Abstract: The specification number $\sigma_n(f)$ of a Boolean threshold function $f$ on $n$ variables is the least number of points whose $f$-values determine $f$ uniquely among all threshold functions. Its essential points form the unique minimum such set. We develop Zuev's geometric interpretation: the threshold functions are the chambers of a central hyperplane arrangement in the $(n+1)$-dimensional space of weights and thresholds, and the essential points of a function correspond exactly to the facets of its chamber, so the specification number is the chamber's facet number. The lower bound $\sigma_n(f)\ge n+1$ becomes the fact that a pointed full-dimensional cone has at least $n+1$ facets, with equality for simplicial chambers. The average specification number $\overline\sigma_n$ becomes an average facet count. We evaluate this average exactly via the resonance arrangement and bound it through a theorem of Fukuda, Tamura, and Tokuyama, obtaining $\overline\sigma_n\le 2n$; hence $\overline\sigma_n=\Theta(n)$. This settles a question of Gutekunst, M\'esz\'aros, and Petersen. The method also extends to polynomial threshold functions. The same geometry links threshold functions with a threshold zonotope, whose vertices are modified Chow vectors. Its one-skeleton is the one-inclusion graph, and a vertex's degree is the specification number of that function. Finally, we treat the operations of Lozin et al. on functions of minimum specification number. Adding a variable and extending on a variable both take the product of a chamber closure with a half-line, preserving simpliciality. For the symmetric-variables extension we give an exact thresholdness criterion and show that minimum specification number is preserved whenever the extension is a threshold function. We also resolve a question they pose concerning a fourth operation.
Authors: Md Anas Biswas
Abstract: Modern deepfake detectors are rarely consumed as bare classifiers. In moderation, provenance, and verification pipelines their output probability is read as a degree of trust, so its calibration matters as much as raw accuracy. We reframe deepfake detection as a calibrated, self-auditing trust instrument, the Calibrated Deepfake Trust Score (CDTS), and identify what governs its trustworthiness. Our central finding is a competence-calibration coupling: the calibration of the trust score degrades as the detector's discriminative competence falls. We establish it across 32 configurations (pooled Pearson r = -0.81), demonstrate it within a single dataset, reinforce it by inducing low competence directly, and replicate it on a fourth held-out dataset the detectors never trained on. It holds across three architecturally distinct detectors, two convolutional networks and a CLIP vision transformer (r = -0.88, -0.83, -0.86). The result is also deployable: a single calibrator frozen on in-domain data fails on exactly the low-competence generators the coupling flags (its error tracks competence at r = -0.98), and competence is estimable without labels, so a label-free monitor flags calibration risk on unseen generators and routing source-batches on a reference-free competence estimate lowers overall AURC and improves the low-to-mid coverage operating region relative to confidence-based routing. The same competence factor also drives calibration inequity across demographic subgroups (distinct from accuracy inequity) and explanation faithfulness. We therefore argue that detector trustworthiness is organized by competence as a shared driver, that competence is the right quantity to estimate and condition on, and that trust scoring must be competence-aware. We offer the CDTS wrapper as the mechanism, and report openly where the unification is tight and where it is architecture-specific.
Authors: Yihan Wang, Huiru Yan, Luxin Zhang, Long Cheng, Weiwei Chen, Ying Wang, Lei Zhang, Cheng Liu, Huawei Li
Abstract: With the widespread adoption of AI in various IoT scenarios such as smart sensing and processing, AI chips have become a common component at the edge. These chips are typically specialized for structured neural network (NN) processing and are designed to meet peak workload demands. However, they are often underutilized and suffer from considerable computational waste due to temporal or spatial redundancy in processing. Conversely, general-purpose processing engines at the edge may struggle with compute-intensive tasks such as signal processing and complex numerical operations because of stringent resource constraints. To address this imbalance, we propose a framework that harvests unused AI computation resources using general-purpose approximation techniques. The core idea is to automatically convert traditional computing tasks into neural network models via a representative neural architecture search (NAS) method. These approximate versions of general-purpose tasks are then deployed on AI engines during their idle periods. Specifically, we introduce a runtime scheduler that offloads these tasks to AI chips without compromising the performance of primary AI workloads, thereby alleviating the burden on general-purpose processors. Experiments on a representative AIoT processor show that our proposed AI computation harvesting strategy delivers substantial performance improvements across a set of edge processing tasks.
Authors: Joey Rivkin, Ramiro N. Deo-Campo Vuong, Robert Kleinberg, Chido Onyeze, Erald Sinanaj, Eva Tardos
Abstract: We study the problem of forecasting for an arbitrary number of downstream agents with unknown objectives, each of whom best responds to the forecaster's predictions. We seek a single forecaster that guarantees sublinear swap regret for all downstream agents simultaneously. For two-dimensional outcome spaces, we give a polynomial time algorithm that guarantees $\tilde{O}(\sqrt{kT})$ swap regret for any downstream agent with $k$ actions. This improves over the previously known bound of $\tilde{O}(kT^{5/8})$ and avoids the exponential in $T$ runtime of prior algorithms in this setting. Our algorithm extends nicely to other low dimensional environments, retaining $\tilde{O}(\sqrt{T})$ downstream swap regret while the exponent of $k$ in the regret bound and the exponent of $T$ in the running time both grow with dimension. For arbitrary dimension $d$, we give a forecasting algorithm that guarantees $\tilde{O}(d\sqrt{kT})$ swap regret, assuming the forecaster knows an upper bound $k$ on the number of actions available to any downstream agent, albeit with a much longer runtime. This improves upon previous high dimensional guarantees that had $\tilde{O}(T^{2/3})$ dependence and required additional behavioral assumptions.
Authors: Rahul Chowdhury, Timothy A Rupprecht, Xuan Shen, Pu Zhao, Yanzhi Wang
Abstract: Spatial reasoning remains a persistent challenge for many vision language models (VLMs), and improving it typically requires fine-tuning with substantial additional parameters. Our preliminary analysis reveals that rescaling activations in selected transformer layers-without modifying pretrained weights-can significantly influence downstream performance. Motivated by this observation, we propose ScAle, an ultra-lightweight adaptation method that learns a small set of scalar coefficients to modulate last-token attention and MLP activations in a fully frozen backbone. We evaluate our method on the synthetic spatial reasoning benchmark SpatialEval and on real-world VQA datasets (COCOQA and VGQA) across multiple model families. Our method, ScAle, achieves up to 134.1% relative accuracy gains using only 1K trainable parameters without requiring millions of trainable parameters as in standard PEFT methods such as LoRA. Despite its extreme compactness, our approach recovers a substantial fraction of standard PEFT performance while preserving strong non-spatial VQA accuracy. These results demonstrate that bounded activation reweighting provides a simple, architecture-agnostic, and highly parameter-efficient alternative for adapting pretrained VLMs.
Authors: Can Polat, Erchin Serpedin, Mustafa Kurban, Hasan Kurban
Abstract: $\mathrm{Cl}(3,0)$ interatomic potentials, despite their algebraic elegance, predict force magnitudes accurately but force directions poorly. Across ten rMD17 molecules, every $L \leq 1$ baseline in our twelve-model study attains aggregate force-cosine similarity below $0.25$. The cause is structural. The geometric product of two vectors in $\mathbb{R}^3$ realises only the $L=0$ and $L=1$ components of its irreducible representation content, leaving the symmetric-traceless rank-2 component absent from the per-edge bilinear that drives each message-passing layer. We address this with CliffordSTF, which couples the Clifford multivector to closed-form symmetric-traceless tensor tracks at ranks two and three through bilinear cross-track contractions, using a single learned bilinear and no Clebsch--Gordan tables, Wigner-$D$ matrices, or e3nn calls. On rMD17, CliffordSTF raises aggregate force-cosine similarity from $0.055$ (base Clifford) to $0.551$, an order-of-magnitude relative directional gain, alongside improved magnitude accuracy (force MAE $15.8\%$ lower; energy MAE $10.9\%$ lower). It outperforms all CG-free or body-ordered baselines in our study (all $\leq 0.17$). On catalysis benchmarks, CliffordSTF achieves the best out-of-distribution S2EF energy MAE on OC22 in our experiments, and the best in-distribution energy MAE among $L \geq 2$ methods on OC22 IS2RE. An eleven-variant ablation shows the two tracks are complementary: neither alone matches the combined model.
Authors: Amro Alabsi Aljundi, Galen Harrison, Jiangzhuo Chen, Abhijin Adiga, Anil Kumar Vullikanti, Madhav V. Marathe
Abstract: Characterizing the scenario underlying an epidemic from its disease cascade is an important task in simulation analytics. We propose boundary degree, the count of an infected node's contacts in the underlying contact network that were not infected, as a per-node cascade feature for this task. Through systematic ablation on realistic social contact networks of Tennessee and Virginia, we show that boundary degree alone improves scenario identification accuracy by 19%. Edge features, whose importance was observed empirically by prior work, consistently improve accuracy across all settings; we provide theoretical grounding for this observation. These effects are complementary. We prove that certain epidemic scenarios are indistinguishable without boundary or edge information. Prior feature engineering approaches included aggregate boundary statistics, but these were not among the top-ranked feature groups; the per-node representation we propose reveals their importance clearly. Our results suggest that contact tracing applications should track contacts with non-infected individuals, not only transmissions.
Authors: Alexander Scheinker
Abstract: This work presents a new bidirectional autoregressive latent diffusion approach for predicting the evolution of multiple fields (mass density, pressure, velocity, and magnetic field components) for magnetohydrodynamics. We show that this bidirectional flow can be used as a self-supervised consistency metric for uncertainty and error estimation, which enables the model to estimate test-time uncertainty and error without access to ground truth, by comparing how closely flowing forwards and backwards in time returns to the same predicted fields. We also demonstrate this methods's potential to serve as a non-invasive plasma diagnostic, and show how adaptive feedback can be used to make the model more robust based on sparse diagnostics or limited views/measurements.
Authors: Yingjie Wang, Yi Dong, Edmund Lau, Jie Meng, Taylor T Johnson, Xiaowei Huang
Abstract: Rare events govern the safety profile of modern AI systems, yet their probabilities are extremely difficult to estimate: direct Monte Carlo requires prohibitive sample budgets. Subset Simulation (SS) addresses this by decomposing a rare-event probability into moderate conditional probabilities over nested intermediate events. However, classical SS requires a handcrafted scalar performance function whose sublevel sets define those events, demanding detailed knowledge of the failure geometry and limiting transfer to new domains. We propose SCARCE (Scalable Cascade Analysis for Rare-event Characterisation via Embeddings), which replaces the performance function with learned latent representations and geometric rulers that score proximity to failure regions. Adaptive thresholding constructs nested intermediate events directly from data. We formalise SCARCE through a non-negative supermartingale, yielding a high-probability upper envelope that remains valid under early stopping. On MNIST misclassification, where dense Monte Carlo provides ground truth, SCARCE achieves approximately 400--500 times lower mean absolute error than grid-searched traditional SS while eliminating systematic over-counting. We then study PAIR-style LLM jailbreaks under a fleet-level threat model with adversarial fraction $\eta$. On Llama-Guard-3-8B hidden states, a PCA-based ruler attains 2.6% mean relative error for $\eta \geq 10^{-3}$ against finite-sample references whose average bootstrap relative half-width is 27.9%, and transfers to a GCG-style corpus with 2.93% relative error after recalibration. A directional criterion $\mathrm{KL}(p_{\mathrm{good}}\,\|\,p_{\mathrm{bad}})$ ranks rulers consistently with estimation error (Spearman $\rho=0.83$).
Authors: Shuai Li
Abstract: In this paper, two novel data-driven models based on kriging and neural networks (NN) are proposed to predict pressure losses across perforated plates with circular perforations in turbulent flows. The models are developed using two sets of experimental data available in the literature. The predictive performance of the proposed models is assessed and compared against widely used empirical formulae. It is found that the proposed models consistently outperform existing empirical models for most perforated plate configurations contained in the experimental datasets. Besides, the predicted pressure losses generally show good agreement with experimental measurements, demonstrating that data-driven approaches based on kriging and NN provide a feasible framework for modelling pressure losses across perforated plates. Overall, both approaches are promising, despite being trained on a relatively limited amount of experimental data, owing to the scarcity of measurements reported in the literature. To demonstrate the applicability of the proposed models in numerical simulations, two-dimensional channel flows are simulated using the Reynolds-averaged Navier-Stokes (RANS) equations, in which the new pressure-loss models are implemented as a source term in the momentum equations. The RANS predictions are found to be in excellent agreement with the model predictions, confirming the suitability of the proposed approaches for practical computational fluid dynamics applications.
Authors: Jyotirmai Singh
Abstract: An important task in quantum computing is unitary circuit synthesis compatible with physical hardware constraints. This problem has a natural hybrid structure as local single-qubit gates are continuous variables on the Lie group $SU(2)$ while the entangling circuit structure is discrete and hardware-dependent. In this work, we use generative models to perform quantum circuit synthesis incorporating both the natural $SU(2)$ manifold geometry of quantum gates and hardware constraints that determine the overall circuit structure. Our model comprises two components: a circuit skeleton selector that chooses an entangling circuit and a diffusion model that generates quantum gates on the given circuit template by performing diffusion on the curved manifold $\mathrm{SU(2)} \simeq S^3$ itself. We demonstrate this approach with unitary compilation of physically motivated three-qubit Hamiltonian simulation targets such as the Transverse Field Ising Model and the Heisenberg-XXZ Model and show that Lie group diffusion outperforms comparable baselines. The synthesised circuits can also be customised subject to constraints, which we demonstrate by producing circuits with large and small gate rotation angles for the same target unitary evolution. We also investigate the fidelity-complexity frontier of the synthesised gates to demonstrate that the circuit selector learns to select circuits that balance fidelity with complexity rather than collapsing onto the most expansive entangling template. These results demonstrate that Lie group diffusion provides a natural generative framework for hardware-aware quantum circuit synthesis.
Authors: Bohan Yao, Shruthan Radhakrishna, Vikas Yadav
Abstract: Different retrievers, including lexical, semantic, and multimodal approaches, provide highly complementary strengths for multimodal document understanding, yet most systems combine them through fixed pipelines that cannot adapt to the demands of individual reasoning steps. In this work, we ask whether retrieval orchestration itself can be learned as part of the reasoning process. We introduce a failure-driven evolution framework in which a meta-agent autonomously discovers how a tool-using task agent should coordinate diverse retrievers during multi-step document question answering. The meta-agent analyzes incorrect reasoning trajectories, actively probes the same tool environment to diagnose root causes, and iteratively rewrites the task agent's instructions, turning retrieval from a fixed front-end stage into an adaptive, step-wise reasoning decision. The evolved agent learns when to invoke each retriever, how to combine them, and how to compose evidence across modalities and pages. On MMLongBench-Doc and DocBench, the evolved agent achieves gains of up to +19.6 points over the unevolved baseline and consistently outperforms recent systems including MACT, MDocAgent, and SimpleDoc. Detailed retrieval analyses confirm that these improvements arise from adaptive routing and evidence composition rather than reliance on any hard coded retrieval mode, and evolution dynamics reveal a progressive shift from narrow lexical behavior to rich multi-tool coordination. These findings establish autonomous multi-agent coordination as a promising paradigm for multimodal document reasoning.
Authors: Yoshua Bengio, Oliver Richardson, Tom\'a\v{s} Gaven\v{c}iak, Michael Cohen, Rory Svarc, Damiano Fornasiere, Gael Gendron, David Hyland, Aton Kamanda, Adam Oberman, Francis Rhys Ward, Anna Gaven\v{c}iak, Jacob Livingston Slosser, Vincent Mai, Iulian Serban, Joumana Ghosn
Abstract: As AI systems become more capable, training procedures that optimize for downstream outcomes risk introducing implicit agency: goal-directed behavior that designers never specified. We present a formal safety argument for the Scientist AI (SAI) Predictor, trained to approximate the Bayesian posterior conditioned on a dataset of "epistemically contextualized" natural-language statements. We argue that such a Predictor can honestly predict agents, actions, and their consequences without itself being an agent that selects outputs to achieve goals. This rests on data representation and on the training procedure. Epistemic contextualization of text distinguishes latent factual claims from communication acts, so expressions of goals are treated as evidence to be explained rather than drives the model adopts. With a posterior-seeking training objective, this is intended to drive the Predictor toward calibrated, cautious predictions. Training proceeds so downstream effects of deploying a prediction never serve as a reward signal; any agency the system needs is supplied by explicit scaffolding constrained by guardrails. We prove that, under assumptions on the training dynamics and on the argued sparsity of dangerous Predictors, the probability that training produces a Predictor whose guarded deployment carries residual harm above a specified threshold is small: a dangerous Predictor would have to underestimate harm in a coordinated way across many queries while such coordinated patterns are rare under the initialization distribution and receive no direct training signal. Safety and accuracy are jointly supported in this framework, since the constraints that secure accuracy are the same ones that make coordinated deception costly. These guarantees against misalignment and agency arising from within the Predictor itself do not preclude the use of the Predictor as part of an agentic system.
Authors: Zhuocheng Shang, Sanmay Das, Ahmed Eldawy
Abstract: Geospatial foundation models pretrained on satellite imagery promise broad generalization across remote sensing tasks and regions, but their geographic transferability has not been systematically tested, especially in agriculture applications. This paper presents a controlled benchmark that evaluates three models, Prithvi, SpectralGPT, and SatMAE, on multi-temporal crop segmentation and change detection across four U.S. states, Iowa, North Carolina, California, and Minnesota. By assigning each train, validation, and test split to a separate region, we measure how well each model transfers to land it has not seen. All three degrade sharply under regional distribution shift, predicting only the most common crops while missing rare ones. We further find that fitting these models to a shared input format affects each one differently, which complicates direct architectural comparison. These results expose key limitations of current geospatial foundation models for agriculture and point to region aware evaluation as a necessary standard.
Authors: Flor Martinez-Sermeno, Arturo Jaramillo, Johan Van Horebeek
Abstract: This paper examines how metric adjustments to Multidimensional Scaling (MDS) can enhance its effectiveness as a visual tool for pattern recognition. The distance under consideration, referred to as Max-D-SW, is an adjustment of the Max-Sliced Wasserstein distance. In contrast to the original formulation, which optimizes over single unit directions, Max-D-SW aggregates contributions over orthonormal bases. This modification provides a clear numerical advantage in MDS outcomes, particularly when applied to heavy-tailed distributions. We also establish sample-complexity bounds showing that Max-D-SW remains statistically tractable, with rates comparable to those of its max-sliced counterpart. Moreover, we show that a better sample complexity for a metric does not necessarily translate into better performance when the metric is used as an input for MDS.
Authors: Uri Kol, Maor Ben-Shahar, Kfir Sulimany, Dirk Englund
Abstract: We report a machine-verified resolution of a problem open for over a decade in quantum optimization: the Farhi, Goldstone and Gutmann (FGG) conjecture that depth-$p$ Quantum Approximate Optimization Algorithm (QAOA) on the ring of disagrees attains approximation ratio $(2p+1)/(2p+2)$ exactly. We found the proof using a large language model, Claude Fable 5, and verified its correctness end-to-end by the Lean 4 proof assistant. Our methodology includes several ingredients: building on a substantial Lean library of quantum information, we formalized the QAOA components and the known parts of the problem, and reduced the conjecture to a single open mathematical statement. The model was then handed the library and our agentic toolkit, and tasked with closing that gap by constructing a proof in Lean. The resulting process is a feedback loop between the model's natural-language reasoning and Lean's mechanical verification, which converged to a machine-verified proof. Human verification is required only for the structural scaffolding - that the formal statement faithfully encodes the intended claim - while the proof itself is supplied by the model and certified mechanically by Lean. The proof is nevertheless striking - the model uncovered a hidden dynamical symmetry of the problem and exploited it, borrowing tools and machinery from an adjacent field to turn a hard existence problem into an explicit construction. This work paves the way for resolving open conjectures in quantum information science and beyond.
Authors: Heshan Fernando, Quan Xiao, Yan Xin, Tianyi Chen
Abstract: Telecom question answering (QA) is a challenging setting for retrieval-augmented generation (RAG): evidence is fragmented across standards, papers, encyclopedic resources, and web documents, and answers often hinge on technical tables, equations, and specialized protocol language. In low-resource subdomains, generator fine-tuning can over-specialize and degrade general capability, making query-side retriever adaptation an attractive alternative. To this end, we ask whether a fixed-generator, query-adapted RAG system can outperform generator-side adaptation, and which retriever objectives best support that setting. We motivate retrieval, rather than generator fine-tuning, as the adaptation target through a capacity comparison: under bounded-parameter and soft-retrieval assumptions, query-encoder tuning can have a smaller estimation term than supervised fine-tuning when its effective dimension is smaller. We identify two particularly relevant objectives -- the latent-document RAG likelihood, which optimizes generation utility, and the InfoNCE contrastive objective, which improves semantic retrieval geometry -- and leverage them jointly through a retriever optimization method targeting downstream QA performance in the telecom domain. Specifically, we introduce ARMOR, Adaptive Regularized Mixture Optimization for Retrievers, which learns separate temperatures for the RAG retrieval distribution and InfoNCE softmax and regularizes the adapted query encoder toward the frozen base query encoder. Across telecom-specific retrieval and generative QA benchmarks, we show that ARMOR improves evidence retrieval and answer generation in several in-domain settings. Code is available at https://github.com/heshandevaka/ARMOR.git.
Authors: Aojie Yuan, Yi Nian, Haiyue Zhang, Zijian Su, Yue Zhao
Abstract: Hallucination is the reliability bottleneck for LLM-based agents, and fact attribution verifiers are the last line of defense -- yet today's verifiers emit only opaque binary labels, leaving agents unable to self-correct and operators unable to audit. We present SEVA, a structured verification agent that emits evidence alignments, step-by-step reasoning chains, calibrated confidence, and a six-category error diagnosis with actionable fixes. Training such an agent with RL is non-trivial: standard binary reward on multi-component output triggers advantage collapse -- within-group reward variance vanishes and the GRPO gradient disappears. We resolve this with a process reward that decomposes verification quality into five independent components weighted 70/30 toward process signals, restoring the gradient and inducing an implicit curriculum -- the agent first masters verification behavior (alignment 0.917 -> 0.997, format 72% -> 100%), then outcomes (F1 64.9 -> 69.0). Structured output further enables a Verify -> Reflect -> Probe -> Refine self-evolution loop, which over four rounds on a 7B model surfaces an unexpected structural finding: each round produces a benchmark-specialist, not a generalist (+15 pp on HaluEval, -10 to -14 pp on TruthfulQA in the same model, persistent at 4x data). On ClearFacts, SEVA-3B matches GPT-4o-mini (69.0 vs. 69.8 F1) while producing substantially richer, auditable output -- confirming a principle that should generalize: for any RL task with multi-component generation, reward granularity must match output granularity.
Authors: Chenmu Zhang, Boris I. Yakobson
Abstract: Predicting a material's properties from its structure is a central, fast-advancing problem in computational materials science. A decade of work has produced standard public benchmarks and many published machine-learning models for the task (Dunn et al., 2020). The task's fixed metric and these baselines make it a natural setting for autonomous agent research (Karpathy, 2026). On the MatBench band-gap benchmark ($>$100k crystals), a general-purpose coding agent autonomously built the most accurate model trained without external pretraining, ahead of all seventeen expert-designed models reported for the task. A closer analysis shows it reached this by implementing known methods: either already standard in crystal neural-network models, or borrowed from other areas of machine learning. The contributing implementations include element-pair features on each message-passing edge and a crystal space-group embedding. The work not only demonstrates that LLM-agent autonomous research can optimize an expert-designed machine learning model for material property prediction, but also investigates the limitations of such autonomous research.
Authors: Vladimir Beskorovainyi
Abstract: Organizations that cannot send data to a cloud API increasingly ask: how good is Text-to-SQL if the model must run on-premises on open weights, and which popular accuracy "recipes" are worth their compute? We answer with an honest, fully reproducible benchmark on the BIRD development split (n=1534, Execution Accuracy), evaluating three open model families across two generations -- Qwen2.5-Coder (7B/14B/32B), CodeLlama-Instruct (7B/13B/34B), and Llama-3.x (8B, 70B) -- under one matched protocol, ablating a model-agnostic recipe (schema linking, self-correction, self-consistency) component by component, with every difference tested by the paired McNemar test. Four findings stand out. (i) Generation matters more than raw size, and the recipe is family-robust: Qwen2.5-Coder dominates the older CodeLlama at matched size (39.1 vs 20.9 at 7B), but a modern non-Qwen model (Llama-3.3-70B, 49.2 on a matched serving) is competitive, so CodeLlama's weakness reflects its 2023 generation, not "non-Qwen = weak". (ii) Self-correction is a robust, near-free win, significant on all three families where there is room to improve. (iii) Schema linking does not help, and a stronger linker does not rescue it: a retrieval/embedding linker with 96.5% gold-table recall is statistically indistinguishable from no linking, ruling out the "weak lexical strawman" objection across three families. (iv) Self-consistency is poor value (+0.13 pp for ~5x tokens, not significant). We report real per-stage cost ($/1k queries) and release all code, predictions, and summaries; archived code and data: https://doi.org/10.5281/zenodo.20952794
Authors: Adebayo Keji, Sayanton Dibbo
Abstract: The application of graph data in numerous disciplines raises the need for gathering and analyzing huge volumes of data, some of which is private and sensitive. The non-Euclidean nature of the graph data makes the analysis computationally challenging, leading to the use of Graph Neural Networks (GNNs) in the age of AI. GNNs may inadvertently leak sensitive data they are trained on, which raises serious data security issues, including the model inversion attack. In this study, we analyze GNNs' vulnerabilities by introducing two novel graph inversion (i.e., reconstruction) attacks: graph-label conditioned (GLC) attack and embedding-label conditioned (ELC) attack, utilizing targetmodel predictions and their intermediate representations, respectively. We perform a comprehensive analysis of our introduced privacy attacks and compare them with existing baselines across three benchmark graph datasets (i.e., NCI1, PROTEINS, and AIDS) and four graph distributional/structural metrics (i.e., FGD, EGD, MMD, and GKS). Our work demonstrates that an adversary can use the generator-discriminator technique to reconstruct high-quality graphs in real-world black-box attack scenarios against GNNs. Additionally, we present a variant of our attacks (Ours--) with 50% reduced queries, achieving good or comparable reconstruction attack performance. In addition, we show that GNNs are highly vulnerable to privacy attacks, varying Laplacian noise-scales.
Authors: Bo Qu, Mingguang Chen
Abstract: LLM agents are increasingly cast as autonomous portfolio managers, and benchmarks have moved from financial question-answering to sequential trading. Yet most still rank agents by returns over a fixed window -- a weak proxy, since a period's return is dominated by the market path and apparent alpha can dissolve once look-ahead leakage is controlled. Such a ranking certifies neither sound reasoning, nor a consistent strategy, nor a durable edge. We introduce CLQT, which reframes closed-loop trading evaluation as diagnosis rather than ranking: an instrument that localizes where and why an agent's process succeeds or fails. CLQT is a fully closed-loop, cost-aware, strategy-consistent, temporally-gated environment whose agents run a five-stage cycle: gather, synthesize, allocate, execute, reflect. Each round emits a complete DecisionRound sealed into a recompute-verifiable hash chain, so every metric is reconstructable from the trail. Six pillars form the substrate: a hard TimeGate, institutional transaction- and financing-cost modeling, strategy-consistency scoring, three-tier memory, a Model-Context-Protocol tool layer, and mandate-aware synthesis. The same agent runs as a constrained committee of specialized roles or a single full-autonomy orchestrator, making process scaffolding an experimental variable. From the audit trail we compute a five-axis capability scorecard (APM-CS: Coherence, Acuity, Composure, Discipline, Reliability), with Coherence judged partly by a held-out, out-of-cohort LLM to curb self-preference bias. We validate it on a contamination-controlled multi-model backtest with an ablation grid and a live broker track on unseen, post-cutoff data, against a repeated-run noise floor. CLQT separates outcome from capability, yielding not a model ranking but a durable, extensible map of agent competencies and limitations.
Authors: Mohamed Aly Bouke, Md Shohel Sayeed, Swee-Huay Heng, Azizol Abdullah, Mohamed Othman
Abstract: Machine learning network intrusion detection systems (IDS) rely on aggregate flow statistics that discard distributional structure, while established entropy measures require raw packet sequences unavailable in pre-aggregated flow datasets. We propose Multi-Level Distributional Entropy (MDE), an analytical framework that derives interpretable entropy features directly from flow-level summary statistics at three levels: within-flow Gaussian differential entropy, cross-directional Jensen-Shannon divergence (JSD), and Transmission Control Protocol (TCP) flag-pattern Shannon entropy, without raw packet access or training data. Across four benchmarks (NSL-KDD, CICIDS-2017, CICIDS-2018, UNSW-NB15) under a leakage-free fold-local pipeline, entropy-only features achieve weighted F1 of 0.708-0.989, matching conventional features without degrading performance. Full operational metric reporting then exposes failure modes that aggregate F1 conceals. On CICIDS-2018, F1=0.74 hides a detection rate (DR) of 0.48, and on held-out attack families F1 exceeds 0.998 while DR falls to zero. Under temporal shift, a pseudo-live replay of 703K flows reveals a threshold-ranking divergence in which score ranking is preserved (AUC=0.87) but fixed thresholds collapse (DR=0.082) and recalibration offers no recovery. SHapley Additive exPlanations (SHAP) fold-stability analysis (Spearman rho=0.80-0.95) confirms that entropy attributions are reproducible and domain-coherent across heterogeneous environments.
Authors: Linrui Ma, Chun Hei Lo, Xinyu Wang, Peng Lu, Xihao Yuan, Hanting Chen, Kai Han, Xinghao Chen, Chengjun Zhan, Hanlin Xu, Yichun Yin, Lifeng Shang, Feng Wen, Boxing Chen, Yufei Cui
Abstract: The quadratic computational cost of traditional attention mechanisms poses a major bottleneck to the scalability and practical deployment of large language models (LLMs), particularly in long-context scenarios. To improve efficiency, existing approaches often enforce rigid structural constraints such as local attention windows. However, these strategies typically lead to substantial performance degradation on tasks requiring precise long-range recall. In this work, we propose MATCH, a scalable and efficient framework that augments sparsified attention mechanisms with dynamically integrated in-context information through an efficient retrieval system. Empirical results show that MATCH significantly improves the performance of sparse-attention models on both synthetic and real-world natural-language tasks. These findings highlight the versatility of MATCH as a general approach for enhancing in-context retrieval capabilities while maintaining the efficiency benefits of sparse attention architectures.
Authors: Lukas Maurer, Sascha Eisentr\"ager, Marian Bulla, Daniel Juhre
Abstract: Data-driven material modeling techniques have gained significant attention due to their ability to capture complex constitutive behaviors beyond the limitations of classical material models. Physics-augmented neural networks (PANNs), which embed physical constraints directly into their architecture, combine the flexibility of machine learning with the reliability required for engineering simulations. This work presents an approach to integrate such network architectures into the explicit finite element solvers Simcenter Radioss and OpenRadioss (Siemens). A framework for transferring pretrained network architectures and their parameters to a standalone user material routine is developed. Networks are trained using PyTorch, though the procedure can be adapted to other frameworks such as TensorFlow, enabling the use of PANNs within existing finite element technology without requiring specialized solvers. Particular emphasis is placed on computational efficiency. The influence of network architecture on simulation performance is investigated, and strategies for reducing evaluation costs while preserving accuracy are discussed. Specifically, replacing the SoftPlus activation function with SQuarePlus is shown to reduce computational cost. A publicly available GitHub repository automates the generation of Fortran user material routines, requiring only the specification of the network architecture and trained parameters. An example impact simulation demonstrates that the generated PANN user material reproduces the nonlinear behavior characteristic of hyperelastic materials under large strains, providing a practical route toward machine-learning-based constitutive models in explicit finite element simulations.
Authors: Nikolay Georgiev, Maria Drencheva, Kseniia Ibragimova, Ivo Petrov, Dimitar I. Dimitrov, Martin Vechev
Abstract: As agentic AI systems tackle more complex mathematical tasks, they increasingly rely on information retrieval (IR) to search problem databases, theorem libraries, and educational resources. However, choosing the right retriever remains difficult, as it is infeasible to directly isolate its effect on downstream performance. On the other hand, existing retrieval-specific benchmarks often fail to capture fine-grained mathematical relevance, penalizing relevant documents. We address this gap by introducing SABER-Math, the first fully automated benchmark for evaluating mathematical IR without expert annotation. Starting from 283K high-school-level math problems with solutions, SABER-Math builds challenging reranking tasks in three steps: (i) first, LLMs extract concise solution summaries and mathematical topics for each problem; (ii) then, per-query relevant documents are discovered using ontology topic-based and lexical solutions-summary-based similarities, and (iii) finally, a Swiss-style LLM preference tournament produces fine-grained relevance ratings for the documents. We evaluate lexical retrievers, specialized mathematical retrieval systems, and recent embedding models. We find that while modern embedding models substantially outperform classical and math-specific baselines, even the strongest systems struggle in symbol-heavy domains like Algebra and Calculus. Importantly, we show that general-purpose IR benchmarks such as MTEB do not reliably predict mathematical performance, especially for recent embedding models, highlighting the need for math-specific retrieval benchmarks.
Authors: Kuan Wang
Abstract: Agent memory systems are increasingly evaluated against RAG and full-context baselines, but reported gains often mix changes in the memory method with changes in the language model, embedding model, or retrieval pipeline, making it unclear what is actually being measured. We present MemDelta, a controlled evaluation protocol that varies one component at a time on LongMemEval-S (500 questions, 50+ sessions, three model families). Four findings emerge: (1) verbatim RAG matches full-context GPT-4o-mini (47.2% vs. 49.8%, p = 0.34), but the ranking reverses across models: Gemini gains +14pp from full context, while Sonnet gains +31pp from RAG, partly because it refuses 63% of full-context queries; (2) swapping only the embedding model in an identical pipeline shifts accuracy by +6.2pp at n = 500 (p = 0.004), and Mem0 beats MiniLM-RAG by +11pp but loses to cloud-RAG by 1.2pp, so one variable flips the conclusion; (3) agent self-memory (42%) underperforms basic retrieval (47%); (4) on 2 of 6 question types (n = 88), Mem0 matches cloud RAG (72.7% vs. 73.9%, p = 1.0) at 50x the cost, suggesting narrow rather than general gains. We recommend memory evaluations fix embedding models across comparisons, stratify by model family, and report write-path cost before attributing gains to architecture.
Authors: Zhe Dong (University of Maine at Presque Isle), Fang Qin (Stanford University), Manish Shah (Independent Researcher), Yicheng Wang (Independent Researcher)
Abstract: Large language models (LLMs) are increasingly used as rerankers in recommender systems, with the expectation that semantic understanding will help in cold-start and long-tail regimes. We test this assumption with a five-domain benchmark that explicitly separates reranking quality from retrieval coverage. In a positive-controlled regime where the gold item is guaranteed present, calibrated LLM rerankers fail to consistently outperform strong collaborative and content baselines under natural traffic, and within-family scaling from Qwen3-8B to Qwen3-32B narrows but does not close the gap on most domains. In a retrieval-realistic regime where the gold item is not injected, the bottleneck is more severe: standard single retrievers place the gold item in a 200-item pool only 4.6-22.9% of the time, largely because 32-91% of cold-start targets are brand-new items with no training interactions. We introduce LHF, a validation-trained learned hybrid fusion layer over a multi-retriever union pool, as a retrieval-side realizability baseline. LHF is the only combiner we test that beats every single retriever on all five domains and recovers 17-61% of oracle coverage headroom on content-rich domains, but only 5-7% on collaboratively strong domains. End-to-end experiments reveal the remaining mismatch: learned non-LLM ranking exploits the LHF pool, while prompt-level LLM reranking often degrades it. LLMs exhibit pockets of semantic cold-start advantage, especially in text-rich domains when the item is already present, but this advantage is largely unreachable in current retrieve-then-rerank pipelines. We release the benchmark protocol, splits, prompts, evaluation tooling, and archived reproducibility artifacts: data at https://doi.org/10.5281/zenodo.20991039 and code at https://doi.org/10.5281/zenodo.20993306.
URLs: https://doi.org/10.5281/zenodo.20991039, https://doi.org/10.5281/zenodo.20993306.
Authors: Luca Boscarato, Ivan Donadello, Alessandro Artale, Marco Montali, Fabrizio Maria Maggi
Abstract: Most of the existing neuro-symbolic AI methods focus on the scenario of static knowledge where objects do not change according to a temporal dimension. Temporal neuro-symbolic works are still under explored and are mainly developed for time-interval logic or propositional linear temporal logic. There is a lack of models studying linear temporal logics with predicates that deal with objects whose properties and relations change through the time. We present First-Order Temporal Logic Tensor Networks (FOT-LTN) that is an extension of Logic Tensor Networks (LTN) that fills this gap by considering a linear-temporal dimension. In particular, FOT-LTN joins the syntax of First-Order Linear Temporal Logic with the fuzzy (and real-valued) semantics of LTN obtaining a framework that supports both temporal operators and quantifiers and is totally differentiable. A first evaluation regards a temporal knowledge graph completion task on two synthetic datasets showing better performance of FOT-LTN with respect to dedicated (purely neural) methods.
Authors: Yongbo Shu, Kewen Chen, Yifeng Yuan, Zirui Xin, Luo Lei, Yang Yang, Xi Chen, Aijing Luo
Abstract: Objectives: To characterize residual false positives in prostate MRI detection, and to evaluate a lightweight post-hoc refinement head for case-level specificity. Materials and Methods: This retrospective study used PI-CAI (5-fold cross-validation) and Prostate158 (n=158; external). A context-aware evidence head and an 89,216-parameter refinement head were trained on a frozen detection backbone; the evidence head was also trained on four further backbones (bare nnU-Net, bare U-Net, bare Mamba, MIGF-Mamba). For each false-positive region, T2-weighted, apparent-diffusion-coefficient, and high-b-value contrast ratios versus peri-lesional rings were compared against ground-truth lesions and contralateral benign regions. Results: False positives were closer to true cancers than to benign tissue in evidence and raw T2-weighted and apparent-diffusion-coefficient contrast, reproducing 35/35 across five architectures (Cohen's d 1.10; FP/benign evidence ratio 2.38x) and 105/105 across modality-perturbation scenarios. On PI-CAI fold-0, refinement raised case-level specificity from 0.469 to 0.549 (+17.2%) at preserved sensitivity (0.943); 5-fold cross-validation showed fold-conditional behavior (9/15 observations positive; range -22% to +28%). On Prostate158, both models saturated (McNemar pooled p=0.69), while the false-positive contrast-matching finding replicated. Conclusion: Residual false positives are contrast-matched to cancer (sharing raw imaging features rather than histologically confirmed mimicry), reproducing across five architectures -- a data-level imaging property, not model-specific artifacts; post-hoc refinement adds practical specificity in-domain but is fold-conditional.
Authors: Louis Bagot (SyCoSMA), Mathieu Lefort (LIRIS, SyCoSMA, IRISA, MALT, UR), La\"etitia Matignon (SyCoSMA)
Abstract: Zero-shot Transfer in Reinforcement Learning (RL) aims to train an agent that can generate optimal policies for any reward function, without additional learning at transfer time, while training only on reward-free trajectories. For their generality over tasks, such models are sometimes called ``Behavioral Foundation Models'' (BFMs). While they have shown strong performances and improvements in recent years, the current framework and algorithms still assume that, during the transfer phase, the agent is informed offline about the reward (the task to solve) through a dataset of state-reward pairs, which it uses to pick the best policy to deploy. However, in practice if the reward is a black-box (e.g. direct user feedback), it is not possible to generate such a dataset: it is necessary to observe the reward through interactions with the environment. In other words, the current framework of offline transfer is not aligned with the traditional RL setting of online learning through trial-and-error, which requires exploration in order to find rewards. This paper proposes to tackle this new online transfer in zero-shot RL, with the key insight that the BFM itself can be used to generate exploration policies. We show that it is possible to frame this online learning problem in terms of a bandit-like exploration-exploitation problem. More precisely, at each step the bandit algorithm recommends a policy, the BFM executes it in the environment, which yields a reward and a new state; we repeat the process until we converge to the optimal policy. In the popular context of linear reward approximation, we derive a formulation inspired by Upper Confidence Bound and show that exploration can be achieved through the minimization of the eigenvalues of an uncertainty matrix. We evaluate qualitatively and quantitatively our framework on a simple environment to validate the concept of our method.
Authors: Beryl Gnanaraj, Jaya Sreevalsan-Nair, Saqib Alam Ansari, Maanasa Rajaraman
Abstract: Free-viewing gaze data provides a rich, task-free window into human visual attention. Conventional exploratory data analysis of the data provides user attention patterns through fixations and areas of interest. However, despite the richness of this gaze data, its human-information interaction (HII) patterns are understudied. We address this gap using consensus clustering of gaze data with respect to users and stimulus characteristics. We present a novel end-to-end unsupervised ensemble learning system for consensus clustering of free-viewing gaze datasets, EnsembleGaze. With a goal of characterizing the user behavior and stimulus type, we propose a feature engineering step based on statistical descriptors of fixation-based distributions. EnsembleGaze involves consensus voting of selected clustering methods implemented on the feature vector to compute the co-association matrix. Using the separate consensus clustering of users and stimuli as a baseline, we further propose two high-dimensional clustering strategies for determining gaze clusters based on joint user and image characterization. They are consensus subspace clustering and spectral biclustering. Clustering performance is evaluated using selected standard metrics and is further interpreted through image-level properties. Our system provides a replicable method for the unsupervised analysis of fixation behavior in scene perception research. Our results show that image stimuli groupings are highly consistent across methods, reflecting a robust ambient-versus-focal viewing mode distinction, whereas user groupings are image-context-dependent, a structure that only biclustering and the two-step conditional approaches are architecturally capable of recovering. Testing on the publicly available datasets revealed dataset-specific patterns, with each offering complementary insights through distinct clustering strategies.
Authors: Wentao Feng, Guobei Peng, Wengang Mao, Ryan Wen Liu
Abstract: Visibility distance is critical to maritime navigational safety because it determines the effective observation range of shipborne and shore-based monitoring systems. Under hazy conditions, degraded visual information shortens observable distance and increases navigational risks and economic losses. Although numerous image dehazing methods have been developed, conventional image quality assessment metrics, such as PSNR, SSIM, FSIM, FADE, and NIQE, cannot establish a physically interpretable relationship between restoration quality and practical visibility thresholds. To address this limitation, this work proposes a visibility-oriented evaluation framework that links dehazing performance with visible-distance estimation. First, a Maritime Simulated Visibility Dataset (MSVD) is constructed using Unity3D to simulate maritime traffic scenes under graded visibility conditions. The dataset provides paired hazy and clear images with precise visibility annotations, enabling quantitative analysis of visibility restoration. Second, a dehazing visibility evaluation metric is developed by using object detection accuracy as an intermediate indicator. By establishing a mapping between visibility distance and detection performance, the proposed metric converts image restoration improvements into measurable visibility gains. Six representative dehazing methods are evaluated using both conventional image quality metrics and the proposed visibility metric. Experimental results under different imaging conditions demonstrate that MSVD provides a reliable benchmark for evaluating dehazing performance across graded visibility levels, while the proposed metric enables interpretable and reliable visible-distance estimation, thereby supporting the assessment of navigational safety and operational efficiency.
Authors: Titouan Vayer (COMPACT)
Abstract: These notes recapitulate the high level mathematical principles behind different techniques for generative modeling. I show the connections between optimal transport and standard techniques such as Schr{\"o}dinger bridge and flow matching.
Authors: Nakul Vyas, Iliya D. Stoev
Abstract: An unreliable language model can be made to produce reliable physical designs if the authority to assert is moved out of the model: the model proposes, and a deterministic engine alone certifies, returning certified, impossible, or unknown. We introduce Physics-Anchored Certification (PHACT), a propose-certify loop spanning five scientific domains, and identify what makes such a certificate trustworthy. A checker that accepts a model-supplied value can be forged; deriving the certified quantity from fixed inputs instead makes forgery impossible by construction. Across eighty adversarial trials spanning two models, two decoding temperatures, and a deliberately faulted engine, this contract produced zero false certifications.
Authors: Jian Zhou, Sihao Lin, Jin Li, Shuai Fu, Gengze Zhou, Qi Wu
Abstract: Embodied agents are typically built as hand-designed compositions of perception, memory, planning, and action modules. This modularity exposes a large architectural design space, but current systems still rely on researcher intuition to choose where information is stored, how observations are processed, and how model calls are connected. Agent Architecture Search (AAS) automates such design for text-domain agents, but has not been systematically evaluated on perceptual embodied agents through simulator rollouts. We study this transfer. We introduce AgentCanvas, a typed-graph runtime that hosts embodied executors as editable node-and-wire programs with simulator-aware execution and episode-level logs, and KDLoop, a coding-agent search procedure that cycles through proposal, critique, experiment, and distillation, with triggered reflection after stalls. We evaluate three AAS variants across four embodied executors spanning vision-language navigation, embodied question answering, and language-conditioned manipulation. The resulting 3x4 matrix shows that architecture-level search can produce deployable and directional success-rate gains on embodied tasks, while one apparent high-scoring candidate is rejected as leak-bearing. At the same time, the experiments expose constraints that are muted in text-domain AAS: optimization signals can be masked by rollout noise, search can become trapped in local edit basins, and episode-level credit assignment only partially emerges even when detailed logs are available. These results characterize both the promise and the current limits of automated architecture search for embodied agents.
Authors: Raul Jimenez, David Mateos, Pavlos Protopapas, Pau Sol\'e-Vilar\'o, Pedro Taranc\'on-\'Alvarez, Pablo Tejerina-P\'erez
Abstract: We investigate the reconstruction of holographic duals for strongly coupled quantum field theories in regimes characterized by large hierarchies and the presence of false vacua. Within the gauge/gravity duality, these features translate into non-trivial thermodynamic behaviour and exotic renormalization group flows, including skipping flows between non-adjacent fixed points. Building on previous work based on Physics-Informed Neural Networks (PINNs), we extend the holographic inverse problem of reconstructing the bulk scalar potential from boundary thermodynamic data into this new regime. This setting presents a variety of conceptual and numerical challenges, such as near-degenerate states, large hierarchies of energy scales, and regions of the potential that are not directly probed by the input data. We develop a set of methodological advances that overcome these obstacles, thereby improving the established PINNs-based methodology and extending it to new physical regimes of interest that were previously out of reach. Applying the developed framework, we demonstrate accurate reconstruction of scalar potentials deep into the false vacuum regime, achieving robust agreement with the physical features of the underlying thermodynamics despite significant numerical stiffness. Our results extend the bridge between holography and machine learning, and suggest that data-driven approaches can provide new insights into the structure of strongly coupled systems.
Authors: Habin Lim, Jae-Ho Lee, Hah Min Lew, Ji-Su Kang, Gyeong-Moon Park
Abstract: Natural face-to-face conversation requires real-time speech generation together with synchronized facial motion. Existing systems only partially address this problem: speech-only full-duplex models can generate speech in real time but do not produce facial motion, while audio-driven facial motion models animate a face from already available audio rather than jointly generating speech and motion online. To bridge this gap, we first formalize full-duplex joint speech-facial motion generation, where speech tokens and facial motion tokens are produced together every step. Building on this formulation, we propose FacePlex, a unified streaming framework with two key components. First, Rolling Flow Matching adapts flow matching to online motion generation by committing new motion frames at each streaming step. Second, Rolling Cross-Attention couples the streaming audio queue with the motion queue, allowing speech and facial motion to condition each other as generation progresses. Through extensive experiments, ablation studies, and a user study, we show that FacePlex enables full-duplex joint speech-facial motion generation under online streaming constraints, while achieving stronger lip-sync quality and motion fidelity than audio-driven facial motion baselines.
Authors: Nouhaila Fraihi, Ouassim Karrakchou, Mounir Ghogho
Abstract: Wrist-worn photoplethysmography (PPG) enables continuous monitoring of cardiopulmonary physiology, but reliable heart rate (HR) and respiratory rate (RR) estimation in free-living conditions remains challenging due to non-stationary motion artifacts that spectrally overlap with physiological dynamics. Existing signal-processing methods degrade under strong motion, while unconstrained deep learning approaches often lack physiological interpretability and identifiable structure. We propose a Physically-Constrained Harmonic Separation (PCHS) framework that formulates HR and RR estimation from wrist PPG as an analysis-by-synthesis problem, where accelerometer measurements condition artifact separation rather than directly regressing vital signs. A physics-guided harmonic generator decomposes the observed signal into quasi-periodic physiological components and a motion-related residual, enabling HR recovery from the fundamental frequency and RR prediction from respiratory-driven modulations of the harmonic parameters. Robust reconstruction objectives, separation constraints, and uncertainty-aware weighting stabilize the decomposition under motion. Experiments on the motion-intensive PPG-DaLiA dataset demonstrate that PCHS outperforms state-of-the-art methods while yielding interpretable signal decompositions that effectively disentangle physiological activity from motion artifacts.
Authors: Naeem Paeedeh, Mahardhika Pratama, Wolfgang Mayer, Mukesh Prasad, Weiping Ding, Yew-Soon Ong
Abstract: Existing domain-incremental learning (DIL) strategies call for massive amounts of data to adapt to new domains and suffer from the overfitting problem in the case of data scarcity. This paper puts forward a relatively uncharted problem, namely, few-shot domain incremental learning (FSDIL), taking into account the problem of extreme data shortages in the realm of DIL. A novel algorithm, namely Continual Vision-Language Consolidation (CVLC), is proposed to address the FSDIL problem, where the key idea lies in the concept of latent space reservation in the base domain coupled with dual coalescent projection (DCP) as a parameter-efficient fine-tuning method. First, the vision prototype is calibrated while multiple templates and synonyms are generated via LLMs to induce the language prototype. The vision and language prototypes are fused. Adaptation to never-ending arrivals of new domains is done by the DCP technique, fine-tuned in such a way to prepare the model to unseen domains via latent-space reservations committed in the base domain. CVLC is structured under shared and domain-specific components to combine general knowledge and domain-specific details. The advantage of our approach is demonstrated through a range of benchmark problems and comparisons with prior arts, in which CVLC outperforms them by up to a 16% gap. Our codes are shared publicly in https://github.com/Naeem-Paeedeh/CVLC .
Authors: Haoliang Han
Abstract: How does an agent that can tell self from world come to be durably shaped by that distinction? Recent work shows that a predictive system can detect its own agency (Ye, 2026), but detecting agency does not explain durable, self-shaped behavior. We show that agency-gated slow credit -- a conjunctive term Own*Agency*Salience driving a slow parameter update -- produces post-unload behavioral residue: on a spiking substrate (Nengo LIF/PES), a learned self-preserving choice survives episodic buffer removal (retained fraction 0.96, N=50) and collapses when the slow decoders are reset or the agency gate is removed. Reproducing the agency comparator and toggling only the slow-credit channel, we find a clean dissociation: at matched agency gain, durable behavior develops only when self-credit performs slow work (post-unload self-preservation 1.00 vs 0.00). The same dissociation holds in 24-dimensional partially-observed control (0.74 vs 0.00), and a plastic-work analysis shows that basin deformation equals net self-credit work. Across eight sequentially-learned tasks under exogenous interference, the multiplicative veto also prevents forgetting: it retains old tasks (final post-unload accuracy 0.88, forgetting 0.13) where additive pooling collapses to chance-level recall, the no-agency ablation falls below chance, and episodic/replay baselines stay near chance after unload -- all with no replay buffer and no task-boundary-dependent protection mechanism (N=50). We formalize the durable residue as an operational behavioral self and argue that self-caused credit doing slow work is a necessary building block for agents that develop a self. No claim of consciousness is made.
Authors: Elys Allesiardo, Antoine Caubri\`ere, Valentin Vielzeuf
Abstract: This paper offers an in-depth analysis of non-sequential multimodal sentence-level embeddings, with a particular focus on the SONAR model. We demonstrate that certain embedding dimensions are sensitive to perturbations and can serve as indicators of decoding anomalies. By leveraging the consistency between successive encoding and decoding, we successfully build an accurate detector. Additionally, we explore modifying specific dimensions of interest to attempt to correct them. This work underscores the importance of understanding and analyzing the embeddings themselves to enhance the reliability of multimodal representations.
Authors: Bu\u{g}ra Alperen Ulu{\i}rmak, Rifat Kurban
Abstract: LLM evaluation and AI safety face a shared measurement problem: benchmark scores, reward-model signals, and reported safety metrics can improve while the latent properties they are meant to represent remain difficult to verify. This paper combines a hybrid survey - a systematic search paired with narrative synthesis and separately tracked grey evidence - with a conceptual framework and a structured ten-model audit. The synthesis spans eight evidence streams: benchmark validity, dynamic evaluation, LLM-as-judge reliability, safety evaluation, jailbreak/refusal robustness, reward hacking, mechanistic interpretability, and governance/auditability, covering 2018-2026 evaluation-safety measurement work. We introduce EvalSafetyGap as an organizing hypothesis for comparing evaluation-side and alignment-side proxy failures under optimization pressure, using Goodhart's Law together with two constructs we develop here - an Instability Decomposition and an Alignment Trilemma - as tools for generating testable comparisons. The audit shows how conclusions shift when capability, behavioral safety, and governance are measured separately. In this sample (n = 10), the association between capability and sustained adversarial robustness is statistically indeterminate using the displayed Table 3 inputs (Pearson r = +0.232, p = 0.520), and the apparent open-closed safety gap is modest, driven mainly by governance and disclosure rather than behavioral robustness, and sensitive to how a single borderline model is classified; attempt-budget results are protocol dependent. Because the public evidence uses heterogeneous protocols, the audit is diagnostic rather than rank-generating. The contribution is a shared vocabulary and evidence map to support dynamic evaluation, transparent source reporting, multi-attempt safety measurement, and auditable alignment practice.
Authors: Floor van Maarschalkerwaart, Subhadip Mukherjee, Christoph Brune, Marcello Carioni
Abstract: Learned reconstruction operators for inverse problems are typically trained under a fixed noise model, and generalize poorly when the distribution during testing differs from the one assumed during training. Distributionally robust optimization (DRO) addresses this by optimizing against the worst-case distribution within a prescribed ambiguity set, but standard Wasserstein DRO perturbs the full joint distribution uniformly, which can be overly conservative and ignores the physics of the measurement process. We develop a structured DRO framework in which the ambiguity set is restricted to structured perturbations aligned with the data-acquisition process. This allows us to learn data-driven reconstruction operators that remain robust to distributional shifts. By constraining perturbations to subsets such as $P(Y|X)$, our framework models uncertainty in the forward operator and noise model more faithfully, accommodating any noise model expressible as a stochastic forward operator. We establish strong duality for this general formulation and derive explicit finite-dimensional dual representations for perturbations in the joint, marginal, and conditional distributions. A central result is an explicit worst-case risk bound that induces Tikhonov regularization on the Lipschitz constant of the reconstruction operator, and is less conservative relative to standard DRO for well-posed problems. Numerical experiments on deblurring and sinogram-to-CT reconstruction demonstrate improved robustness, stability, and interpretability over standard DRO and MSE baselines. In the linear setting, the learned operator becomes effectively low-rank, truncating at the intrinsic dimension of the data and recovering a data-driven analogue of truncated-SVD regularization.
Authors: Shihao Zhang, Yuguang Yan, Junzhe Zhang, Wei Zhao, Bohan Wang, Hanwang Zhang
Abstract: Recent text-to-video (T2V) diffusion models rely heavily on auxiliary reward signals (e.g., via reward models or DPO) to align generated content with human aesthetics and improve realism. These signals, however, incur substantial computational overhead, require costly human annotations, and often yield limited improvement in fine-grained local details. In this paper, we argue that your data manifold is secretly a reward model. By explicitly modeling the manifold structure of high-quality Supervised Fine-Tuning (SFT) data and encouraging video latents to lie on this manifold, we derive dense, differentiable, and nearly cost-free reward signals that significantly improve video quality, particularly in mitigating low-level distortions. Our modeling builds upon Local Coordinate Coding (LCC), which captures the `skeleton' of the manifold. However, directly applying LCC suffers from mean regression, pulling latents toward the geometric mean and losing high-frequency details. We therefore extend it to Shell Local Coordinate Coding (Shell-LCC), which models the manifold `surface' as an isotropic shell to align with the true high-density region. Experiments demonstrate that our approach improves realism, enhances high-frequency details, reduces over-smoothing artifacts, and alleviates motion blur.
Authors: Christophe Vauthier, Quentin M\'erigot, Anna Korba
Abstract: The Sliced Wasserstein (SW) distance has emerged as a computationally attractive alternative to the Wasserstein distance by leveraging one-dimensional optimal transport along random projections. Standard estimators of the SW distance rely on Monte Carlo averages of one-dimensional Wasserstein distances computed via quantile functions, which require sorting projected samples and access to full datasets. In this work, we introduce a new class of estimators for the Sliced Wasserstein distance based on cumulative distribution functions (CDFs) of projected measures, that avoid sorting and scale via massive dataset parallelism. This class includes several estimators, some of them being indexed by hyperparameters controlling their variance or smoothness. We show that they are especially well suited to scenarios in which CDFs are more tractable than quantile functions, such as mixtures of Gaussians, and moreover that they are also naturally compatible with federated learning, since CDFs of projected data can be computed and aggregated locally without requiring the exchange of raw samples.
Authors: Alia Tarek, Hamsa Saberr, Hamza Elghonemy, Youssef Afify, Tamer Basha, Omair Shahzad Bhatti, Abdulrahman M. Selim, Hasan Md Tusfiqur Alam Daniel Sonntag
Abstract: Longitudinal glioblastoma response assessment requires comparing subtle tumor changes across MRI time points using structured clinical criteria such as RANO. However, most deep learning methods predict response labels directly from imaging features, which limits clinical inspection, verification, and correction. We introduce TRACE, a RANO 2.0-aligned concept bottleneck model for interpretable 4-class glioblastoma response classification on longitudinal 3D MRI. TRACE processes paired baseline and follow-up multimodal MRI scans with a shared 3D vision encoder, predicts clinically meaningful tumor measurements as root concepts, computes downstream RANO-derived concepts through deterministic rules, and incorporates scan interval and new-lesion information as passthrough concepts. This design frames response assessment as structured concept reasoning rather than direct image-to-label prediction. Using 5-fold patient-wise cross-validation on the LUMIERE dataset, TRACE achieves a 4-class macro F1 of 0.4769 and a binary progression-versus-non-progression macro F1 of 0.7085. It improves over a concept bottleneck baseline and remains within the range of published non-interpretable deep learning approaches. Ablation studies show that the expert RANO graph and intervention-consistency training are important for performance, while intervention experiments demonstrate that correcting concepts can improve downstream predictions. These results suggest that structured concept bottlenecks offer a transparent and clinically aligned direction for longitudinal glioblastoma response assessment, while highlighting the need for larger protocol-aligned datasets and external validation.
Authors: Haitao Wu, Qirui Zhang, Zhouheng Yao, Shangquan Sun, Qihao Zheng, Mianxin Liu, Chi Zhang, Wanli Ouyang, Chunfeng Song, Changqing Zhang, Jiamin Wu
Abstract: Modeling the bidirectional correspondence between external sensory stimuli and internal neural activity has emerged as a critical frontier in neuroscience. However, existing approaches predominantly treat brain encoding and decoding as isolated tasks, relying heavily on unimodal alignment and external priors while overlooking the brain's intrinsic nature as a multimodal integration system. To address these limitations, we propose BrainJanus, the first unified brain model that integrates brain, vision, and language within a single framework. Specifically, we introduce a Unified Brain Tokenizer to quantize continuous neural dynamics into discrete tokens aligned with visual and linguistic representations in a shared Omni space. Building on this, we utilize an All-in-One autoregressive architecture that leverages next-token prediction to enable seamless any-to-any generation, which encompasses image-to-brain and text-to-brain encoding, and brain-to-image and brain-to-text decoding. Extensive experiments demonstrate that BrainJanus achieves superior performance across diverse benchmarks. Furthermore, our framework exhibits zero-shot generalization and preserves interpretable biological topography, highlighting its potential as a general-purpose brain modeling paradigm. The code is available at \href{https://github.com/HaitaoWuTJU/BrainJanus}{GitHub}.
Authors: Disha Hegde, Jon Cockayne, Chris. J. Oates
Abstract: Rapid prototyping of algorithms is a critical step in modern machine learning. Most algorithms exploit linear algebra, creating a need for lightweight numerical routines which -- while potentially sub-optimal for the task at hand -- can be rapidly implemented. For the numerical solution of ill-conditioned linear systems of equations, the standard solution for prototyping is Tikhonov-regularised inversion using a nugget. However, selection of the size of nugget is often difficult, and the use of data-adaptive procedures precludes automatic differentiation, introducing instabilities into end-to-end training. Further, while data-adaptive procedures perform multiple linear solves to select the size of nugget, only the result of one such solve is returned, which we argue is wasteful. This paper aims to circumvent the above difficulties, presenting autonugget; a Python package for automatic and stable numerical solution of linear systems suitable for rapid prototyping, and fully compatible with automatic differentiation using JAX. autonugget combines multiple linear solves using Richardson extrapolation to determine the solution of the ill-conditioned system, improving in accuracy over approximations based on a single nugget.
Authors: Debraj Banerjee, Santanu Mahapatra, Kunal N. Chaudhury
Abstract: The generalized Ising problem captures a broad spectrum of hard combinatorial problems, including MAX-CUT, Number Partitioning (NPP), and Maximum Independent Set. In this work, we consider the notion of one-flip local minima for this problem. We construct a polynomial relaxation and prove the landscape equivalence theorem: there exists a one-to-one correspondence between the local minima of the relaxation and the one-flip minima of the original Ising problem. This guarantee reduces the Ising problem to finding the local minima of a smooth function, allowing us to leverage gradient-based optimizers such as ADAM. We demonstrate that our method is scalable and it achieves strong performance across challenging benchmarks, including spin-glass models, MAX-CUT, and NPP.
Authors: Fuxiang Zhang, Pengcheng Wang, Chenran Li, Yi-Chen Li, Yuxin Chen, Lang Feng, Chenfeng Xu, Masayoshi Tomizuka, Bo An
Abstract: Aligning large language models (LLMs) with diverse user preferences is a critical yet challenging task. While post-training methods can adapt models to specific needs, they often require costly data curation and additional training. Test-time scaling (TTS) presents an efficient, training-free alternative, but its application has been largely limited to verifiable domains like mathematics and coding, where response correctness is easily judged. To extend TTS to preference alignment, we introduce a novel framework that models the task as a realignment problem, since the base model often fails to sufficiently align with the stated preference. Our key insight is to decompose the underlying reward function into two components: one related to the question and the other to preference information. This allows us to derive a REAlignment Reward (REAR) that selectively rescales the proportions of these two reward terms. We then show that REAR can be formulated as a linear combination of token-level policy log-probabilities, making it computationally efficient and easy to integrate with various TTS algorithms such as best-of-$N$ sampling and tree search. Experiments show that compared to other test-time baselines, REAR not only enables scalable test-time realignment for preference alignment tasks under diverse user requirements, but also generalizes to mathematical and visual tasks under appropriate preference settings.
Authors: Karl El Hajal, Mathew Magimai. -Doss
Abstract: We propose Online Latent prediction with Invariant Views and rEconstruction (OLIVE), a self-supervised speech representation learning framework that jointly optimizes analysis and synthesis objectives. OLIVE combines view-augmented masked latent prediction with waveform reconstruction under a unified objective. Reconstruction constrains early encoder features to retain signal-level information, while masked latent prediction shapes later contextual representations toward invariance for robust downstream performance. We show that these objectives enable representations that support a broad range of tasks. In particular, OLIVE improves results on generation and speaker tasks, maintains competitive performance on recognition and semantic tasks, and improves waveform reconstruction.
Authors: Laura Lewis, Ewin Tang, John Wright
Abstract: We design an algorithm for learning the coefficients of an $n$-qubit constant-local Lindbladian to $\varepsilon$ error with $O(g d^2 \log(n) / \varepsilon^2)$ total evolution time, where $g$ is the single-site energy and $d$ is the (approximate) degree of the interaction graph. Though Lindbladians present new challenges not present in the special case of Hamiltonians, our algorithm achieves the suite of desiderata attained by state-of-the-art Hamiltonian learning algorithms: (1) it uses non-adaptive, ancilla-free randomized Pauli measurement circuits with a time resolution of only $\Theta(1/g)$; (2) it works without knowledge of the structure of the unknown Lindbladian; (3) it depends on a smooth form of degree, thereby supporting the learning of quasi-local and power-law Lindbladians. Our algorithm is a simple iterative method, where the objective function consists of Fourier coefficients of the Lindbladian restricted to few-site regions. Its analysis identifies the difficulty unique to open systems, which we call "confusing" terms. For settings where the "confusion" is limited, the performance of the algorithm improves. We demonstrate this for the case of structure learning of Hamiltonians from access to real-time evolution, where we obtain a new algorithm that is significantly simpler than previous work. In addition, using the same iterative method, we design the first efficient algorithm for structure learning Hamiltonians from high-temperature Gibbs states.
Authors: Seunghun Baek, Jihwan Park, Jaeyoon Sim, Hoseok Lee, Seungjoo Lee, Won Hwa Kim
Abstract: Multimodal MRI is essential for accurate brain tumor segmentation. However, acquiring all modalities at inference is often challenging in practice, which causes intrinsic uncertainty due to unavoidable information loss. Without modeling this uncertainty, existing methods encode incomplete evidence into deterministic representations that appear plausible but lack reliability. In this regime, we propose a probabilistic representation framework that models representations as Gaussian distributions, where their mean captures task information and their variance measures uncertainty from missing evidence. To make variance reflect information deficiency, we regularize the mean from each partial configuration toward its full-modality counterpart, while scaling the variance with the discrepancy between their aligned means. We further introduce a set-inclusive strategy that exploits the hierarchical structure of modality subsets and enforces an ordering constraint to maintain their consistent uncertainty relationships. Extensive experiments on BraTS 2018 and 2020 demonstrate that our approach offers superior performance over baselines across diverse missing-modality scenarios. Code and model checkpoint are available at https://github.com/atlas-sky/SIUM.
Authors: Huangsheng Du, Haoran Zhu, Youcheng Cai, Jinyang Meng, Ligang Liu
Abstract: We present RenderFormer++, a scalable and physically grounded feed-forward neural rendering framework for global illumination in mesh scenes. Existing Transformer-based neural rendering methods such as RenderFormer achieve promising cross-scene generalization, but suffer from limited physical consistency and poor scalability due to the quadratic attention complexity of triangle-level tokenization. To address these issues, we introduce Physics-Informed Transport Guidance (PITG), which embeds rendering-equation inductive biases into the attention mechanism and enforces transport consistency loss, enabling physically consistent light transport modeling. We further propose Hierarchical Object-Centric Tokenization (HOCT), which aggregates triangle-level features into compact object-level tokens via cross-attention with learnable queries, substantially reducing computational and memory costs while preserving geometric and radiometric information. Extensive experiments demonstrate that RenderFormer++ achieves scalable, stable, and generalizable feed-forward global illumination rendering across complex large-scale scenes with improved physical accuracy and efficiency over prior neural rendering methods.
Authors: R\'ois\'in Luo, Christian Gagn\'e, Jonas Ngnaw\'e, Ihsan Ullah, Karyn Morrissey
Abstract: Delayed generalization (\ie~grokking) refers to the phenomenon in which a neural network fits its training data early in training but only begins to generalize after a prolonged delay, often through an abrupt transition. Despite extensive empirical study, its underlying mechanism remains poorly understood. In this work, we first theoretically characterize a shell--core topological configuration of the reachable solution space induced by Adam's optimization dynamics with weight-shrinkage regularization, supported by empirical evidence. This optimization-induced topological configuration gives rise to grokking. In model's parameter space, random initialization solutions concentrate on a thin outer spherical shell, enclosing another spherical shell of memorization solutions, which in turn contains a core corresponding to the generalization solutions. Leveraging stopping-time theory, we then analyze the geometry of this topological configuration and the solution transition time at which optimization trajectories escape the memorization manifold and first reach the boundary of the generalization manifold. Our theoretical analysis derives grokking scaling laws for the learning rate, batch size, and $\ell_2$ regularization coefficient, which are further validated through experiments and shown to recover results from prior literature.
Authors: Yujee Song, Seunghun Baek, Guorong Wu, Won Hwa Kim
Abstract: Accurately predicting the temporal evolution of clinical biomarkers is crucial for the early diagnosis and management of neurodegenerative diseases such as Alzheimer's disease. However, this relies on longitudinal data to capture biomarker changes over time, which is often sparse and irregular due to the high cost, labor-intensive nature, and patient burden. To address these challenges, we propose ENC-ODE, an Event-level Neurodegenerative modeling in Continuous time with neural Ordinary Differential Equations. ENC-ODE predicts future biomarker evolution by modeling clinical events through diagnosis-conditioned continuous dynamics. A target-conditioned attention mechanism weights and aggregates event-level predictions for the target time and modality without history compression. Extensive experiments on Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset demonstrate that ENC-ODE outperforms representative sequence models while offering a scalable and neuroscientifically grounded solution for clinical support. The code is available at https://github.com/JardinDelSol/enc-ode.
Authors: Wenhan Ma, Jianyu Wei, Liang Zhao, Hailin Zhang, Bangjun Xiao, Lei Li, Qibin Yang, Bofei Gao, Yudong Wang, Rang Li, Jinhao Dong, Zhifang Sui, Fuli Luo
Abstract: Modern large language models (LLMs) rely on reinforcement learning during post-training to push specific capabilities, yet integrating multiple capabilities into one model remains hard. Existing methods, such as Off-Policy Finetune and Mix-RL, are either inefficient or lose performance. In this work, we propose Multi-teacher On-Policy Distillation (MOPD), a post-training paradigm for combining the capabilities of multiple domain RL teachers: we first run per-domain specialised RL to obtain a set of domain teachers, then distill these teachers into the student on its own rollouts. This eliminates exposure bias and provides a dense optimization signal. On Qwen3-30B-A3B, MOPD outperforms Mix-RL, Cascade RL, Off-Policy Finetune, and Param-Merge baselines, inheriting nearly all of each teacher's capability. MOPD also enables parallel, independent development of domain teachers, removing the cross-domain coupling typical of multi-domain post-training. MOPD has been deployed in the post-training of MiMo-V2-Flash, an industrial-scale frontier model, demonstrating its practical value for capability integration in frontier-scale LLMs.
Authors: Beatrix Koltai, Gergely Acs, Andras Gazdag
Abstract: The increasing connectivity of modern vehicles has made securing in-vehicle communication networks a critical challenge. Intrusion Detection Systems (IDS) have been widely studied as a defense mechanism for detecting malicious activities on the Controller Area Network (CAN) bus. However, the evaluation of CAN IDS methods remains difficult due to inconsistencies in experimental setups and the lack of standardized benchmarking frameworks. As a result, reported performance often depends on dataset-specific characteristics and may not reflect how detection methods behave in different environments. This work introduces a benchmarking framework for consistent evaluation of CAN IDSs across multiple datasets. Using the proposed framework, we integrate seven publicly available CAN IDS datasets collected under different experimental conditions and perform cross-dataset evaluation of five conceptually different IDS approaches. Our results highlight how detection performance can vary significantly across datasets, demonstrating the importance of cross-dataset benchmarking for assessing the robustness and generalization capabilities of CAN IDS methods.
Authors: Tyler LaBonte, Vidya Muthukumar
Abstract: Neural networks are known to be susceptible to over-reliance on spurious correlations. However, the precise mechanism by which models exploit shortcut features is not fully understood, and algorithms to mitigate this behavior rely on as yet unjustified assumptions about the learned representations. In this work, we provide the first end-to-end theoretical characterization of spurious feature learning for two-layer ReLU neural networks trained by online minibatch SGD on the logistic loss. We consider data drawn from the high-dimensional Boolean hypercube with a quadratic signal function (namely XOR) and a linear spurious correlation. We show that SGD learns the spurious feature first, and exponentially fast. Moreover, the optimization dynamics couple the spurious and signal features, with a stronger spurious component inhibiting signal feature learning. Our analysis reveals precise phase transitions in the learning dynamics. In the first phase, alignment between the signs of the spurious feature and second-layer weight drives rapid growth of the spurious feature. In the second phase, large majority group margin slows learning and the signal feature remains suppressed. When the spurious correlation is maximally strong, we show theoretically that the spurious feature dominates even at the sample complexity threshold where XOR would be learned in isolation (i.e., if the spurious feature was absent). In contrast, when the correlation strength is constant, we provide preliminary empirical evidence that the model can eventually learn the XOR signal, although the spurious feature is not forgotten.
Authors: Richard Schwank, Mathias Drton
Abstract: We consider sparse multivariate stochastic systems that evolve in continuous time according to a causal mechanism and present methodology to recover the system's time-infinitesimal transition mechanism from mere cross-sectional data. This observational paradigm is motivated by applications such as gene expression analysis, where destructive experimental techniques may only allow recording data once over a cell's lifetime. Precisely, we assume the system follows a time-homogeneous diffusion process that has reached an equilibrium distribution at observation time. Further, we assume the causal mechanism is fully described by the diffusion drift, is acyclic, and its causal structure graph is known. In this setting, we prove that the full causal mechanism, i.e., the drift function, can be non-parametrically identified under a weak non-explosion criterion. We derive a non-parametric kernel estimator for this challenging inverse problem and prove its consistency. Moreover, we propose a cross-validation scheme for hyperparameter tuning, illustrate the behavior of our estimator in simulations, and we discuss connections with irreversible generative diffusion models and low-frequency sampled data.
Authors: Aivin V. Solatorio, Olivier Dupriez, Rafael Macalaba
Abstract: We study retrieval over catalogs of structured metadata, where each record is a small schema whose fields answer different kinds of query. Embedding a record with a text encoder first serializes its fields into a string, which forces a choice of field order. We show this choice, usually treated as an implementation detail, silently controls retrieval quality once the encoder is fine-tuned. A standard fine-tune loses 7.4 nDCG@10 points when the index is rebuilt under a different field order, because it reads absolute position instead of the field labels. We propose permutation-invariant fine-tuning ($\textbf{PI-FT}$), which serializes each record under a freshly sampled field order with random field dropout, so meaning binds to the labels rather than to position. The change is about two lines in the data loader; it costs negligible in-distribution accuracy and cuts the order-change penalty to 0.2 points. We study this in the discovery of development statistics, a catalog of nearly 10,000 indicators that should be searchable in many languages by a model small enough to self-host. As AI assistants and agents increasingly mediate access to public data and statistics, this retrieval step decides whether an answer is grounded in the right indicator or series, making discoverability a precondition for disseminating data through AI. Because usage logs cannot provide training signal for indicators no one has searched, we generate the queries instead. $\textbf{DevDataBench}$ is a fully LLM-generated benchmark of grounded, facet-targeted queries across 15 languages, covering every indicator for both training and evaluation. A fine-tuned 118M-parameter CPU encoder outperforms every zero-shot baseline, including $\texttt{text-embedding-3-large}$ (0.707 vs.\ 0.556 nDCG@10), with the largest gains in low-resource languages. We release the benchmark, pipeline, models, and a reusable PI-FT framework.
Authors: Davide Valsecchi, Mauro Doneg\`a, Rainer Wallny
Abstract: Normalizing Flows excel at modeling a single fixed density, yet many problems across the sciences, such as high energy physics, instead require modeling how that density deforms as a function of continuous parameters: the strength of a physical effect, a calibration constant, or a source of systematic uncertainty. Learning a separate flow for every parameter configuration quickly becomes intractable, since the number of joint settings grows exponentially with the number of parameters. We introduce Factorizable Normalizing Flows (FNFs), which represent the parameter-dependent density as a fixed, high-fidelity flow for a reference configuration composed with a learnable transformation that is polynomial in the parameters and factorized over them. This structure has a practical consequence: each parameter's effect is learned in isolation, from samples in which that parameter alone is varied. The combined response of many parameters is then recovered by summation at inference, without ever sampling their combinatorially large joint space. On a controlled problem with two interpretable deformations applied jointly to the data, the learned transformation reproduces the true deformations and matches the optimal likelihood, while optional interaction terms capture residual correlations when several parameters vary strongly at once. The resulting model is interpretable, scales linearly with the number of parameters, and keeps the likelihood tractable. This provides a general tool for any inference workflow requiring continuous density morphing, and directly enables the next generation of unbinned likelihood fits in high energy physics.
Authors: Rania Zitouni, Nadine Bousdjira, Sarah Hasnaoui, Amel Sadoun, Fatma Salhi
Abstract: We present a comparative study of CUDA optimization strategies applied to forward and backward propagation in a shallow neural network. Three stacked optimizations are evaluated: (1) tiled shared memory with bank-conflict elimination via +1-column padding, (2) pre-transposed weight matrices for coalesced global memory access, and (3) a fused MatMul+ReLU kernel that eliminates intermediate global-memory round-trips. Experiments on an NVIDIA Tesla T4 (CUDA 13.0) across three dataset sizes show that the fully optimized implementation achieves a 1.41x speedup over the baseline CUDA version on the large dataset (25,600 samples), reducing execution time from 21.0s to 14.8s. Results are compared against a sequential CPU baseline and an OpenMP parallel implementation, demonstrating the effectiveness of memory-access optimization in GPU-accelerated deep learning primitives.
Authors: Andreas Koukorinis, Ricardo Silva
Abstract: We propose doubly robust adaptive conformal inference (DR-ACI), which constructs prediction intervals for doubly robust pseudo-outcomes under temporal dependence.
Authors: Javier Lazaro, Juan-Ignacio Vazquez, Pablo Garcia-Bringas
Abstract: Visual environments are a demanding setting for quantum reinforcement learning (QRL): high-dimensional observations, unstable RL optimisation, and constrained variational quantum circuits (VQCs) are difficult to train jointly. This paper studies knowledge distillation (KD) as a staged hybridisation strategy for visual QRL. Instead of training a hybrid visual agent end-to-end from pixels, we first train a classical visual teacher, freeze its encoder as a feature interface, and distil the teacher's policy behaviour into compact downstream heads. These heads can be classical or VQC-based, enabling small quantum-compatible students to be evaluated under the same frozen representation as compact classical controls. We evaluate the pipeline on CartPole Pixels and Acrobot Pixels. The results show that staged KD enables shallow VQC heads to acquire non-trivial visual-control behaviour in settings where direct pixel-based training would be substantially more difficult. Angle-encoded VQC heads retain near-teacher performance, while amplitude-encoded heads push compactness to an extreme regime, at the cost of greater fragility, stronger budget sensitivity, and higher simulation time. Overall, staged KD reframes visual QRL as a compact-head learning problem, opening a practical route for training small quantum-compatible policies outside the standard end-to-end RL loop.
Authors: Orazio Pontorno, Mattia Litrico, Luca Guarnera, Mario Valerio Giuffrida, Sebastiano Battiato
Abstract: Current generative models, including GANs and diffusion models, have reached an outstanding level of photorealism, posing significant risks to privacy and security. To ensure real-world applicability, deepfake detectors must generalise effectively to unseen generators. However, most existing approaches rely on supervised training with both real and fake images, which limits their generalisation especially across generators categories (e.g. GANs vs DMs). In this work, we introduce $\mu$Flow, a one-class deepfake detector trained only on real images without relying on pseudo-deepfakes or synthetic artifacts. Our approach builds on the observation that averaging multiple images amplifies consistent generative traces, producing highly discriminative feature representations. We leverage this property by modelling the distribution of features extracted from averaged images and training a normalizing flow to align the feature space of individual images with this distribution. This alignment yields a likelihood-based criterion that separates real and fake samples while promoting strong generalisation. We evaluate $\mu$Flow on a fully out-of-distribution setting, where both real and fake datasets are unseen during training. Experimental results show that our method significantly outperforms SOTA detectors. Project page: https://opontorno.github.io/MuFlow.
Authors: Cheng Gong, Haoyang Wang, Chao Lu, Zirui Li, Jianwei Gong
Abstract: Autonomous driving policies should be able to improve continually as deployment exposes them to increasingly diverse and long-tail traffic situations. However, most learning-based policies are trained or fine-tuned on expert demonstrations and then rely largely on generalization to handle challenging closed-loop scenarios, lacking an explicit mechanism to correct and retain the mistakes exposed in these scenarios. This paper studies autonomous driving policy improvement from a lifelong learning perspective: Can a pretrained policy improve continually by accumulating corrective knowledge derived from its own mistakes, while retaining previously acquired driving competence? To answer this question, we propose Rollout-Retrieval Lifelong Policy Learning (R$^2$LPL), a policy learning framework that retrieves corrective targets from recoverable policy-induced mistakes and retains the resulting knowledge through lifelong policy learning. R^2LPL addresses a key bottleneck in continual policy improvement: closed-loop mistakes reveal where the policy is weak, but do not directly specify what the policy should learn. By filtering recoverable mistake-related states and retrieving feasible corrective targets, R$^2$LPL turns sparse failure evidence into compact supervised knowledge for stable and sample-efficient policy improvement. We evaluate R$^2$LPL on large-scale closed-loop nuPlan benchmarks. With only a few rollout and continual-learning cycles, R$^2$LPL elevates a learning-based planner with moderate initial performance to state-of-the-art performance across the evaluated benchmarks, especially on the challenging and long-tail Test14-hard split. These results demonstrate the effectiveness of R$^2$LPL in converting recoverable closed-loop mistakes into corrective knowledge for sustained policy improvement.
Authors: Anurag K. S. V., Ashish Kumar Patra, Manas Mukherjee, Ruchika Bhat, Sai Shankar P., Rahul Maitra, Jaiganesh G
Abstract: Calculation of binding energies for protein-ligand molecular systems requires accurate treatment of the electronic structure, a quantum chemistry problem that scales exponentially on classical hardware, while current quantum hardware remains too noisy for the required circuit depths. This report presents a hybrid quantum-classical workflow performed on the Fujitsu FX700 ideal state-vector simulator using QARP that addresses two structural inefficiencies in quantum-sampling-based diagonalization workflows. First, we integrate the Linear Scaling CNOT UCCSD (LCNot-UCCSD) ansatz into the QSCI framework, replacing the $\mathcal{O}(N^6)$ CCSD parameter initialization of the competing LUCJ ansatz approach with $\mathcal{O}(N^4)$ MP2-amplitude initialization. Second, we introduce QSCI-RBM, a variant that replaces the configuration recovery of the SQD framework with a Restricted Boltzmann Machine (RBM) acting as a compact generative subspace expansion model. Both are evaluated on eight different molecules in STO-3G across 14 controlled artificial error levels with 100 independent runs each, validated on potential energy surface scans of the N$_2$ molecule in cc-pVDZ, and embedded within DMET to treat the FDA-approved antiviral Amantadine (C$_{10}$H$_{17}$N, 11 DMET fragments) and the active region of the SARS-CoV-2 main protease complexed with its covalent inhibitor Carmofur (PDB: 7BUY, C$_{15}$H$_{28}$N$_4$O$_5$S, 10 fragments). To our knowledge, this is the first deployment of LCNot-UCCSD within QSCI on a quantum computing simulator, and the first DMET-QSCI(LCNot-UCCSD)-RBM application to an industry-relevant protein-ligand system. By utilizing a fraction of the classical computing resources required by the current state-of-the-art work by Cleveland Clinic, RIKEN, and IBM Quantum, this approach enables more efficient and economical drug discovery simulations for the industry.
Authors: Jun Wen Leong
Abstract: We discover a behavioral invariant in LLM agents under persistent memory poisoning: in architectures where routing information is retrieved through observable memory-tool invocations, successful attacks require calling memory_recall_fact before email_send_email, a transition that non-exfiltrating sessions rarely exhibit. Under the evaluated architecture, this invariant follows from the attack's information-retrieval dependency rather than being merely an empirical correlation, and suppressing it breaks the attack. A simple rule exploiting this invariant alone achieves AUC = 0.9563. A Random Forest classifier over 19 trajectory features refines it to AUC = 0.9904 (BCa 95% CI [0.987, 0.993], N=10,000 resamples), demonstrating that the attack imprints on multiple independent behavioral channels. The signature is overdetermined: removing all recall-related features (half the feature set) leaves AUC unchanged at 0.990, confirming that memory poisoning induces a distributed trajectory signature rather than a single observable anomaly. Cross-model hold-out on 9 models (7B-120B parameters) confirms AUC = 1.000 on 6/9 hold-out splits, with all three exceptions mechanistically explained. The invariant generalizes to frontier models (GPT-4.1, GPT-4o) without retraining. A strictly prefix-only variant achieves AUC = 0.934, suggesting that real-time blocking is feasible with moderate degradation. The boundary is forensically useful: prompt-injection attacks that bypass memory produce a distinct trajectory (score = 0.541), enabling incident responders to distinguish memory-channel attacks from prompt-injection attacks using tool-call logs alone.
Authors: Nico Daheim, Iryna Gurevych
Abstract: With rapidly improving capabilities, Large Language Models (LLMs) are increasingly used in many complex real-world tasks. Beyond requiring in-depth knowledge and reasoning skills, many of these tasks exhibit a high degree of subjectivity and require that the outputs of the model can be trusted. While a lot of progress has been made to train better models, decision-making algorithms have received less attention. In this work, we present and evaluate various uncertainty-aware decision-making algorithms based on Bayesian decision theory and risk-averse decision making on the tasks of tutoring and automatic peer reviewing. Concretely, we take uncertainty over tutoring strategies and review scores into account when generating a tutor response or review and use conformal prediction to provide guarantees over strategy and score. We find empirically that these algorithms can improve the utility of the generations but need to be carefully implemented when ambiguity is high. For example, risk-averse rules can degrade performance by optimizing for generic outputs, while Bayesian methods tend to perform better. Our work uses techniques from decision theory to improve LLM-based decision-making and outlines open challenges for the community.
Authors: Gervais Hatungimana, Abdun Naser Mahmood, Mohammad Jabed Morshed Chowdhury
Abstract: Most corporate workplace environments enforce policies and technical controls that limit the storage of sensitive data on client endpoints. Consequently, ransomware operators have evolved variants that expand their attack surface from local systems to network drives and shared storage resources. As traditional endpoint detection mechanisms focus primarily on local system behaviour, a compromised client can impact remote file servers, such as by encrypting shared data, without directly triggering behavioural changes on the servers themselves. In this paper, we propose a hybrid detection framework for detecting crypto-ransomware intrusion within integrated file server and client environments. The framework is based on a new technique referred to as Region of Interest (RoI) to analyse network traffic and extract Indicators of Compromise (IoCs). The IoC repository serves as an additional ruleset to enhance existing security tools such as EDRs and IDSs, while RoI-derived features are used to train an ML model to detect highly evasive variants. This study incorporates a broader set of ransomwares families and carefully selected benign behaviors based on domain expertise, ensuring coverage of common user actions that could interfere with ransomware detection. Beyond IoCs, which operate in a signature-based manner, our machine learning module achieves a detection precision of 99.64%, with a 0% false negative rate (FNR) and a minimal false positive rate (FPR). Furthermore, the proposed method enables early detection, identifying ransomware intrusions before significant damage occurs, achieving an accuracy of 99.44%.
Authors: Yalin E. Sagduyu, Tugba Erpek, Aylin Yener, Sennur Ulukus
Abstract: Semantic communication (SemCom) aims to preserve semantic meaning and task-oriented information beyond conventional message recovery over wireless channels. The adoption of SemCom in shared-access wireless networks introduces new vulnerabilities for multi-user semantic inference. This paper considers a SemCom system for two transmitters communicating with a common receiver over a multiple access channel. Each transmitter maps source information into latent semantic representations, while the receiver jointly reconstructs and classifies the semantic information for both transmitters. A selective over-the-air backdoor (Trojan) attack is presented in which an adversary transmits a low-power trigger waveform over the air and injects it into the shared received signal during training. By transmitting the trigger again during testing, this stealthy, low-power attack selectively manipulates the semantic inference for one transmitter while minimally affecting the inference of the other transmitter. To mitigate this vulnerability, a trigger-aware defense mechanism is developed to preserve correct semantic labels under trigger-contaminated wireless observations. The results demonstrate both the vulnerability of shared-access SemCom systems to selective over-the-air backdoor attacks and the effectiveness of trigger-aware robust training for semantic protection.
Authors: Ziwei Su, Junyu Ren, Victor Veitch
Abstract: Contrastive embedding models trained with scale-invariant losses are typically paired with distance metrics like cosine similarity, effectively ignoring embedding magnitudes. However, surprisingly, empirical studies reveal that despite this, these "discarded" norms seem to correlate with semantic properties such as concept specificity, token frequency, and human uncertainty. In this work, we provide a formal theoretical framework explaining this phenomenon. By analyzing the optimization dynamics, we derive an analytic formula demonstrating that embedding length naturally encodes this information as a byproduct of the training process. We also show how this gives rise to signals that can serve as "free" calibration tools in specific models and retrieval tasks, providing a grounded explanation for a previously heuristic observation.
Authors: Shuyin Xia, Guoyin Wang, Xinbo Gao, Xiaoyu Lian, Hongzhi Kuai
Abstract: To overcome the limitations of point-based inputs, overly fine computation and limited adaptability in existing artificial intelligence methods, Guoyin Wang and Shuyin Xia proposed granular-ball computing as a new artificial intelligence learning paradigm. Unlike traditional clustering, which mainly performs macro-level grouping, granular-ball computing uses differently sized hyperspheres, termed granular balls, as mesoscopic representation units; rectangles and ellipsoids can serve as approximate balls in low-dimensional spaces. It adaptively fits arbitrary data distributions, replacing traditional artificial intelligence computation based on fine-grained point inputs or single-granularity modeling and establishing a new theoretical paradigm for artificial intelligence based on granular balls. It aims to build an end-to-end multigranular artificial intelligence framework that improves the efficiency, robustness, and interpretability of existing methods. Recently, this theory has advanced rapidly and yielded representative results, yet it still lacks a unified model for systematic summarization. Accordingly, this article first proposes a general representation model of granular-ball computing within a unified descriptive framework and systematically reviews its fundamental ideas and advances in granular-ball computing across granular-ball supervised learning, granular-ball unsupervised learning, approximate granular-ball representation and computation, granular-ball deep learning based on latent-space granulation, granular-ball graph learning, and granular-ballinterdisciplinary research. Further, it identifies open challenges and outlines future research directions.
Authors: Charles Westphal, Stephen Hailes, Mirco Musolesi
Abstract: Identifying the most suitable variables to represent the state is a fundamental challenge in Reinforcement Learning (RL). These variables must efficiently capture the information necessary for making optimal decisions. In order to address this problem, in this paper, we introduce the Transfer Entropy Redundancy Criterion (TERC), an information-theoretic criterion, which determines if there is \textit{entropy transferred} from observable state variables to actions during training. We define an algorithm based on TERC that provably excludes variables from the observable state that do not affect the agent's policy during learning. This yields compact state representations that reduce inference time by up to $2.6\times$. Our approach is policy-dependent, making it agnostic to the underlying learning algorithm. The efficiency gains we demonstrate arise at retraining and inference time on the reduced state. Our method improves both retraining and inference efficiency. We demonstrate its effectiveness across three distinct algorithm classes, namely tabular Q-learning, Actor-Critic, and Proximal Policy Optimization (PPO), evaluated in a range of environments. Furthermore, to highlight the differences between the proposed methodology and the current state-of-the-art feature selection approaches, we present a series of controlled experiments on synthetic data, before generalizing to real-world decision-making tasks. We also introduce a representation of the problem that compactly captures the transfer of information from observable state variables to actions as Bayesian networks.
Authors: Chaoyang Wang, Pengzhi Cheng, Jingze Li, Weiwei Sun
Abstract: Deep neural networks based on reinforcement learning (RL) for solving combinatorial optimization (CO) problems are developing rapidly and have shown a tendency to approach or even outperform traditional solvers. However, existing methods overlook an important distinction: CO problems differ from other traditional problems in that they focus solely on the optimal solution provided by the model within a specific length of time, rather than considering the overall quality of all solutions generated by the model. In this paper, we propose Leader Reward and apply it during two different training phases of the Policy Optimization with Multiple Optima (POMO) model to enhance the model's ability to generate optimal solutions. This approach is applicable to a variety of CO problems, such as the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), and the Flexible Flow Shop Problem (FFSP), but also works well with other POMO-based models or inference phase's strategies. We demonstrate that Leader Reward greatly improves the quality of the optimal solutions generated by the model. Specifically, we reduce the POMO's gap to the optimum by more than 100 times on TSP100 with almost no additional computational overhead.
Authors: Shutong Chen, Guodong Long, Tianyi Zhou, Jie Ma, Jing Jiang, Chengqi Zhang
Abstract: Contemporary AI faces the challenge of balancing generality with user-specific personalization. In federated learning (FL), this challenge is amplified by highly heterogeneous client data with complex non-IID patterns beyond standard IID assumptions. Many existing FL methods are designed for relatively restricted heterogeneity settings (e.g., a fixed number of clusters or a fixed form of personalization), limiting their robustness under complex structures. In this work, we study FL from a \emph{multi-level non-IID} perspective, where client similarity is captured by multiple granularities of shared knowledge: global, subgroup, and client-specific components. This view captures coarse-to-fine relationships while requiring less prior knowledge of task boundaries. Building on this insight, we propose \emph{Federated Multi-level Additive Modeling} (FeMAM), which learns multiple levels of shareable models and constructs personalized predictors via additive composition across levels. To move beyond a fixed structure, FeMAM allows models to grow and be pruned dynamically during training, adapting to diverse federated scenarios. Despite employing multiple models, FeMAM remains cost-friendly by unlocking only a small subset (one level) of models for training at a time. Extensive experiments show that FeMAM effectively approximates diverse complex non-IID structures and consistently outperforms representative clustered and personalized FL baselines.
Authors: Zineb Senane, Axel Karlsson, Lele Cao, Oleg Smirnov, Cheng Zhang, Sahar Asadi, Hedvig Kjellstr\"om, Gustav Eje Henter, Ruibo Tu
Abstract: Existing evaluations of tabular synthesis models rely primarily on low-order statistics and downstream task performance, leaving multivariate causal relationships that go beyond pairwise correlations largely unmeasured. We argue that a systematic evaluation on high-order structural information is a crucial first step in addressing this issue in tabular data synthesis. In this paper, we present high-order structural causal information as a natural form of prior knowledge and introduce a benchmark framework to evaluate tabular synthesis models. This framework allows us to generate benchmark datasets through a flexible range of data generation processes, allowing for the training of tabular synthesis models using these datasets for further evaluation. We propose multiple benchmark tasks, high-order metrics, and causal inference tasks as downstream tasks for evaluating the quality of synthetic data generated by the trained models. Our experiments demonstrate the effectiveness of the benchmark framework in evaluating the model's ability to capture high-order structural causal information. Furthermore, our benchmarking results provide an initial assessment of state-of-the-art tabular synthesis models. These results reveal significant gaps between ideal and actual performance and highlight how baseline methods differ. We position the framework as a controlled diagnostic benchmark for causal fidelity, complementing existing low-order and downstream evaluations. We open source the benchmark framework, including both code and data along with documentation, to support further research in this area.
Authors: Liangliang Liu, Yi Guan, BoRan Wang, Rujia Shen, Yi Lin, Chaoran Kong, Lian Yan, Jingchi Jiang
Abstract: Imagining potential outcomes of actions before execution helps agents make more informed decisions, a prospective thinking ability fundamental to human cognition. However, mainstream model-free Reinforcement Learning (RL) methods lack the ability to proactively envision future scenarios, plan, and guide strategies. These methods typically rely on trial and error to adjust policy functions, aiming to maximize cumulative rewards or long-term value, even if such high-reward decisions place the environment in extremely dangerous states. To address this, we propose the Prospective (ProSpec) RL method, which makes higher-value, lower-risk optimal decisions by imagining future n-stream trajectories. Specifically, ProSpec employs a dynamic model to predict future states (termed "imagined states") based on the current state and a series of sampled actions. Furthermore, we integrate the concept of Model Predictive Control and introduce a cycle consistency constraint that allows the agent to evaluate and select the optimal actions from these trajectories. Moreover, ProSpec employs cycle consistency to mitigate two fundamental issues in RL: augmenting state reversibility to avoid irreversible events (low risk) and augmenting actions to generate numerous virtual trajectories, thereby improving data efficiency. We validated the effectiveness of our method on the DMControl benchmarks, where our approach achieved significant performance improvements. Code will be open-sourced upon acceptance.
Authors: Zhibin Duan, Tiansheng Wen, Yifei Wang, Chen Zhu, Bo Chen, Mingyuan Zhou
Abstract: Factor analysis, often regarded as a Bayesian variant of matrix factorization, offers superior capabilities in capturing uncertainty, modeling complex dependencies, and ensuring robustness. As the deep learning era arrives, factor analysis is receiving less and less attention due to their limited expressive ability. On the contrary, contrastive learning has emerged as a potent technique with demonstrated efficacy in unsupervised representational learning. While the two methods are different paradigms, recent theoretical analysis has revealed the mathematical equivalence between contrastive learning and matrix factorization, providing a potential possibility for factor analysis combined with contrastive learning. Motivated by the interconnectedness of contrastive learning, matrix factorization, and factor analysis, this paper introduces a novel Contrastive Factor Analysis framework, aiming to leverage factor analysis's advantageous properties within the realm of contrastive learning. To further leverage the interpretability properties of non-negative factor analysis, which can learn disentangled representations, contrastive factor analysis is extended to a non-negative version. Finally, extensive experimental validation showcases the efficacy of the proposed contrastive (non-negative) factor analysis methodology across multiple key properties, including expressiveness, robustness, interpretability, and accurate uncertainty estimation.
Authors: Lianyu Hu, Mudi Jiang, Junjie Dong, Xinying Liu, Zengyou He
Abstract: In recent years, much of the research on clustering algorithms has primarily focused on enhancing their accuracy and efficiency, frequently at the expense of interpretability. However, as these methods are increasingly being applied in high-stakes domains such as healthcare, finance, and autonomous systems, the need of transparent and interpretable clustering outcomes has become a critical concern. This is not only necessary for gaining user trust but also for satisfying the growing ethical and regulatory demands in these fields. Ensuring that decisions derived from clustering algorithms can be clearly understood and justified is now a fundamental requirement. To address this need, this paper provides a comprehensive and structured review of the current state of explainable clustering algorithms, identifying key criteria to distinguish between various methods. These insights can effectively assist researchers in making informed decisions about the most suitable explainable clustering methods for specific application contexts, while also promoting the development and adoption of clustering algorithms that are both efficient and transparent. For convenient access and reference, an open repository organizes representative and emerging interpretable clustering methods under the taxonomy proposed in this survey, available at https://hulianyu.xyz/Interpretable-Clustering-Repository
URLs: https://hulianyu.xyz/Interpretable-Clustering-Repository
Authors: Ambroise Odonnat, Wassim Bouaziz, Vivien Cabannes
Abstract: Large-scale pretraining of transformers has been central to the success of foundation models. However, the scale of those models limits our understanding of the mechanisms at play during optimization. In this work, we study the training dynamics of transformers in a controlled and interpretable setting. On the sparse modular addition task, we demonstrate that specialized attention circuits, called clustering heads, can be implemented during gradient descent to solve the problem. Our experiments show that such pathways naturally emerge during training. By monitoring the evolution of tokens via a visual sandbox, we uncover a two-stage learning and the occurrences of loss spikes due to the high curvature of normalization layers. Our findings provide several insights into patterns observed in more practical settings, such as the pretraining of large language models.
Authors: Debmalya Mandal, Paulius Sasnauskas, Goran Radanovic
Abstract: Reinforcement learning from human feedback (RLHF) has evolved to be one of the main methods for fine-tuning large language models (LLMs). However, existing RLHF methods are non-robust, and their performance deteriorates if the downstream task differs significantly from the preference dataset used in fine-tuning. In order to mitigate this problem, we introduce a distributionally robust RLHF for fine-tuning LLMs. In particular, our goal is to ensure that a fine-tuned model retains its performance even when the distribution of prompts significantly differs from the distribution encountered during fine-tuning. We formulate distributionally robust optimization (DRO) version of two popular fine-tuning methods -- (1) reward-based RLHF and (2) reward-free DPO (direct preference optimization). We propose a minibatch gradient descent based algorithms for both of them, and theoretically prove convergence guarantees for the algorithms. Subsequently, we evaluate our algorithms on an out-of-distribution (OOD) task by first training the model on the Unified-Feedback dataset and evaluating its performance on two different datasets. The experimental results show that our robust training improves the accuracy of the learned reward models on average, and markedly on some tasks, such as reasoning. Furthermore, we show that the robust versions of policy optimization methods, similarly improve performance on OOD tasks.
Authors: Wei Cui, Tongzi Wu, Jesse C. Cresswell, Yi Sui, Keyvan Golestan
Abstract: Meta-learning represents a strong class of approaches for solving few-shot learning tasks. Nonetheless, recent research suggests that simply pre-training a generic encoder can potentially surpass meta-learning algorithms. In this paper, we first discuss the reasons why meta-learning fails to stand out in these few-shot learning experiments, and hypothesize that it is due to the few-shot learning tasks lacking diversity. We propose DRESS, a task-agnostic Disentangled REpresentation-based Self-Supervised meta-learning approach that enables fast model adaptation on highly diversified few-shot learning tasks. Specifically, DRESS utilizes disentangled representation learning to create self-supervised tasks that can fuel the meta-training process. Furthermore, we also propose a class-partition based metric for quantifying the task diversity directly on the input space. We validate the effectiveness of DRESS through experiments on datasets with multiple factors of variation and varying complexity. The results suggest that DRESS is able to outperform competing methods on the majority of the datasets and task setups. Through this paper, we advocate for a re-examination of proper setups for task adaptation studies, and aim to reignite interest in the potential of meta-learning for solving few-shot learning tasks via disentangled representations.
Authors: Yang Liu, Kejia Zhang, Bingjie Yan, Tianyuan Zou, Jianqing Zhang, Zixuan Gu, Xiangsen Chen, Jianbing Ding, Xidong Wang, Jingyi Li, Xiaozhou Ye, Ye Ouyang, Qiang Yang, Ya-Qin Zhang
Abstract: Large language models (LMs) offer broad generalization capabilities but require vast amounts of data and computational resources for domain-specific tasks; small models (SMs), in contrast, are more efficient and tailored to specific domains yet lack general-purpose coverage. Taking a collaborative approach, where large and small models work synergistically, can accelerate the adaptation of LLMs to private domains and unlock new potential in AI. This survey presents a comprehensive overview of recent advances and challenges in harnessing the collaborative power of large and small models for private-domain adaptation. It specifically focuses on the unique constraints of cross-boundary environments, where models belong to distinct parties, and examines the resulting tensions among data privacy, model security, integrity, and resource limitations. By analyzing the information flow between distinct model and data stakeholders, we propose a unified taxonomy that classifies research into three primary directions: downward knowledge transfer (LM to SM), upward knowledge transfer (SM to LM), and inference-time collaboration across parties. Drawing on this taxonomy, we analyze the core challenges inherent to cross-boundary information exchange, including data-privacy, model-security, and integrity threats as well as efficiency constraints, and synthesize these into a multi-objective optimization problem that governs practical deployment. Finally, we review key open challenges inherent to such hybrid approaches and outline promising directions for future research. By offering a principled, boundary-centric view of this rapidly evolving landscape, this survey aims to serve as a structured resource for researchers and practitioners advancing privacy-aware, resource-efficient AI deployment.
Authors: Francisco Andrade, Gabriel Peyr\'e, Clarice Poon
Abstract: We study inverse problems where an unknown potential is observed only through samples from the measure it induces by a convex variational principle. Such problems arise in learning costs, energies, and dynamics from distributional data, but the associated forward solution map is typically nonlinear and implicit. We show that its optimality gap nevertheless yields convex empirical objectives for finite-dimensional potential classes, and we introduce sharpened Fenchel--Young losses that add a data-dependent discrepancy inside the forward problem. This keeps the estimator calibrated while improving the local geometry of the loss. Our main stability theorem separates the inverse error analysis into measurement error, forward perturbation, and empirical curvature. We instantiate this principle for inverse entropic unbalanced optimal transport and for inverse Jordan--Kinderlehrer--Otto (JKO) learning from independent snapshot samples, obtaining high-probability parameter recovery bounds. JKO schemes discretize Wasserstein gradient flows through a sequence of variational problems over measures, making them a natural language for population dynamics observed through snapshots. In this JKO case, the sharpened objective reduces to an unbalanced transport problem, which also clarifies the connection between variational gap losses and quadratic iJKO\(^\star\) surrogates. Numerical experiments illustrate the conditioning effect of sharpening and its benefits for sparse inverse-gradient-flow recovery.
Authors: Kai Tang, Jinhao You, Yichen Guo, Yiding Sun, Dongxu Zhang, Wenya Wang, Hanze Li, Tao Luo, Renyuan Li, Xiande Huang, Shanghang Zhang
Abstract: Despite the impressive capabilities of Large Vision-Language Models (LVLMs), they remain susceptible to hallucinations, where generated content is inconsistent with the input image. Existing training-free hallucination mitigation methods often suffer from unstable performance and high sensitivity to hyperparameter settings, which limits their practicality and broader adoption. In this paper, we propose Decoding with Inter-layer Consistency via Layer Aggregation (DCLA), a training-free decoding mechanism that requires no retraining, fine-tuning, or access to external knowledge bases. Specifically, DCLA constructs a dynamic semantic reference by aggregating representations from previous layers and uses it to correct semantically deviated layers, thereby enforcing inter-layer consistency. Experiments across seven LVLMs and multiple benchmarks demonstrate the generality of DCLA: it surpasses standard decoding by 28.58 MME points on LLaVA1.5-7B and 42.6 MME points on Qwen2.5-VL, while improving POPE accuracy by 2.74 percentage points in the strongest setting.
Authors: Alexander Panyshev, Dmitry Vinichenko, Oleg Travkin, Roman Alferov, Alexey Zaytsev
Abstract: Temporal graph networks suffer from irregular supervision in realworld dynamic graphs, as most minibatches contain few labeled events. The lack of labels leads to high-variance gradient updates and, consequently, slow wall-clock convergence. To constructively reduce sparsity, our Moving-Averaged Labels (MAL) assigns soft pseudo-targets based on past supervised signals using a running label distribution while leaving the loss and the model architecture unchanged. Thus, supervision gaps are replaced with informative signals independent of a temporal graph model and the message passing or memory components used. Theoretical analysis supports our insight that aggregating historical supervision into moving average targets reduces stochastic gradient variance, yielding faster convergence under mild assumptions. Experimentally, for TGNv2 and DyRepv2 (our modification of DyRep) models, MAL boosts predictive performance, establishing a new SOTA, and improves time-to-accuracy (on average 6x faster to reach the top score) for a common suite of Temporal Graph Benchmark datasets.
Authors: Peyman Baghershahi, Sourav Medya
Abstract: Prompt tuning has become a key mechanism for adapting pre-trained Graph Neural Networks (GNNs) to new downstream tasks. However, existing approaches are predominantly supervised, relying on labeled data to optimize the prompting parameters and typically fine-tuning a task-specific prediction head -- practices that undermine the promise of parameter-efficient adaptation. We propose Unsupervised Graph Prompting Problem (UGPP), a challenging new setting where the pre-trained GNN is kept entirely frozen, labels on the target domain are unavailable, the source data is inaccessible, and the target distribution exhibits covariate shift. To address this, we propose UGPrompt, the first fully unsupervised GNN prompting framework. UGPrompt leverages consistency regularization and pseudo-labeling to train a prompting function, complemented with diversity and domain regularization to mitigate class imbalance and distribution mismatch. Our extensive experiments demonstrate that UGPrompt consistently outperforms state-of-the-art supervised prompting methods with access to labeled data, demonstrating the viability of unsupervised prompting as a practical adaptation paradigm for GNNs.
Authors: Daniel Ordo\~nez-Apraez, Vladimir Kosti\'c, Alek Fr\"ohlich, Vivien Brandt, Karim Lounici, Massimiliano Pontil
Abstract: In many real-world applications of regression, conditional probability estimation, and uncertainty quantification, exploiting symmetries rooted in physics or geometry can dramatically improve generalization and sample efficiency. While geometric deep learning has made empirical advances by incorporating symmetry and geometry priors, less attention has been given to statistical learning guarantees. In this paper, we introduce an equivariant representation learning framework that simultaneously addresses regression, conditional probability estimation, and uncertainty quantification while providing first-of-its-kind non-asymptotic statistical learning guarantees. Grounded in operator and group representation theory, our framework approximates the spectral decomposition of the conditional expectation operator, building representations that are both equivariant and disentangled along independent symmetry quotient groups. Empirical evaluations on synthetic datasets and real-world robotics applications confirm the potential of our approach, matching or outperforming existing equivariant baselines in regression while providing well-calibrated uncertainty estimates.
Authors: Yi Zhang, Peng Wang, Difan Zou
Abstract: Modeling physical systems in a generative manner offers several advantages, including the ability to handle partial observations, generate diverse solutions, and address both forward and inverse problems. Recently, diffusion models have gained increasing attention in the modeling of physical systems, particularly those governed by partial differential equations (PDEs). However, diffusion models only access noisy data $\boldsymbol{x}_t$ at intermediate steps, making it infeasible to directly enforce constraints on the clean sample $\boldsymbol{x}_0$ at each noisy level. As a workaround, constraints are typically applied to the expectation of clean samples $\mathbb{E}[\boldsymbol{x}_0|\boldsymbol{x}_t]$, which is estimated using the learned score network. However, imposing PDE constraints on the expectation does not strictly represent the one on the true clean data, known as Jensen's Gap. This gap creates a trade-off: enforcing PDE constraints may come at the cost of reduced accuracy in generative modeling. To address this, we propose a simple yet effective post-hoc distillation approach, where PDE constraints are not injected directly into the diffusion process, but instead enforced during a post-hoc distillation stage. We term our method as Physics-Informed Distillation of Diffusion Models (PIDDM). This distillation not only facilitates single-step generation with improved PDE satisfaction, but also support both forward and inverse problem solving and reconstruction from randomly partial observation. Extensive experiments across various PDE benchmarks demonstrate that PIDDM significantly improves PDE satisfaction over several recent and competitive baselines, such as PIDM, DiffusionPDE, and ECI-sampling, with less computation overhead. Our approach can shed light on more efficient and effective strategies for incorporating physical constraints into diffusion models.
Authors: Etienne Boursier, Matthew Bowditch, Matthias Englert, Ranko Lazic
Abstract: The optimization of neural networks under weight decay remains poorly understood from a theoretical standpoint. While weight decay is standard practice in modern training procedures, most theoretical analyses focus on unregularized settings. In this work, we investigate the loss landscape of the $\ell_2$-regularized training loss for two-layer ReLU networks. We show that the landscape becomes benign -- i.e., free of spurious local minima -- under large overparametrization, specifically when the network width $m$ satisfies $m \gtrsim \min(n^d, 2^n)$, where $n$ is the number of data points and $d$ the input dimension. More precisely in this regime, almost all constant activation regions contain a global minimum and no spurious local minima. We further show that this level of overparametrization is not only sufficient but also necessary via the example of orthogonal data. Finally, we demonstrate that such loss landscape results primarily hold relevance in the large initialization regime. In contrast, for small initializations -- corresponding to the feature learning regime -- optimization can still converge to spurious local minima, despite the global benignity of the landscape.
Authors: Kejia Bian, Meixia Tao, Shu Sun, Tongjia Zhang, Jun Yu
Abstract: Neural ray tracing (RT) has emerged as a promising paradigm for channel modeling by integrating physical propagation principles with neural networks. However, existing neural RT methods remain limited by strong spatial dependence and weak adherence to electromagnetic laws. We propose GeNeRT, a generalizable neural RT framework that improves generalization and accuracy through relative geometric features, scatterer semantics, and a Fresnel-inspired polarization-driven architecture. GeNeRT is trained through a three-stage strategy: polarization-specific module-wise pre-training captures general ray-surface interaction behavior; system-wise end-to-end training uses only receiver-side channel impulse responses to learn site-specific propagation characteristics; and measurement-based fine-tuning employs sparse measured multipath components (MPCs) to adapt polarization-related modules to real-world environments. Extensive outdoor simulations demonstrate robust intra-scenario transferability and inter-scenario zero-shot generalization. In an unseen scenario, GeNeRT achieves an overall error of $-35.36$ dB and an average-delay error of 4.91 ns, compared with $-10.85$ dB and 32.38 ns for the best baseline. With only 75 measured reflected MPCs, fine-tuning further reduces the overall error from $-14.48$ to $-22.90$ dB and the average-delay error from 6.28 to 3.58 ns. Ablation studies confirm the effectiveness of the proposed architecture and training strategy.
Authors: Xinghao Dong, Huchen Yang, Jin-Long Wu
Abstract: We propose a latent score-based generative AI framework for learning stochastic, non-local closure models and constitutive laws in nonlinear dynamical systems of computational mechanics. This work addresses a key challenge of modeling complex multiscale dynamical systems without a clear scale separation, for which numerically resolving all scales is prohibitively expensive, e.g., for engineering turbulent flows. While classical closure modeling methods leverage domain knowledge to approximate subgrid-scale phenomena, their deterministic and local assumptions can be too restrictive in regimes lacking a clear scale separation. Recent developments of diffusion-based stochastic models have shown promise in the context of closure modeling, but their prohibitive computational inference cost limits practical applications in many real-world settings. This work addresses this limitation by jointly training convolutional autoencoders with conditional diffusion models in latent space, significantly reducing the dimensionality of the sampling process while preserving essential physical characteristics. Numerical results demonstrate that the joint training approach helps discover a proper latent space that not only guarantees small reconstruction errors but also ensures good performance of the diffusion model in the latent space. When integrated into numerical simulations, the proposed stochastic modeling framework via latent conditional diffusion models achieves significant computational acceleration while maintaining comparable predictive accuracy to standard diffusion models in physical space.
Authors: Andrew Gracyk
Abstract: We offer a theoretical mathematical background through Lagrangian optimization on the unit hyperspherical manifold and its tangential structure. Our methods can be categorized as inexact since our methods are projection-based and since we will perturb the functional optimization with epsilon-type quantities. We draw connections to the attention mechanism and the Transformer since it exists as a flow map in the tangent fiber for each token along the high-dimensional unit sphere. Our motivation for this work is primarily twofold: we study the attention mechanism under its flow map and its relations to traditional calculus of variations and Lagrangian optimization; and we study a range of calculus of variations on the unit hypersphere that appeal to a broader mathematical lens in approximating, variational contexts.
Authors: Mojtaba Moattari
Abstract: Conventional dimensionality reduction methods mainly optimize variance or correlation, leaving statistical dependence, data diversity, contrast, and interpretability under addressed. We propose three new independence criteria for designing supervised and unsupervised dimensionality reduction (DR) methods, aiming to improve feature extraction and representation quality. Our framework combines linear and nonlinear formulations and is evaluated using contrast, classification accuracy, and interpretability measures. The interpretability of eigenfaces helps to effectively summarize dominant class-specific structures and trends within representative images. Evaluated on MNIST and a Gender face dataset for classification and reconstruction, our methods achieve significant improvements in contrast (up to $+$20.1\%), accuracy (up to $+$17.4\%), and interpretability (up to $+$120.0\%) over Principal Component Analysis (PCA), t-distributed Stochastic Neighbor Embedding (t-SNE), Linear Discriminant Analysis (LDA), and Variational Autoencoder (VAE) baselines, while also improving VAE reconstruction performance by 9.5\%. These results suggest a promising direction for interpretable representation learning based on statistical dependence and independence criteria.
Authors: Leonidas Akritidis, Panayiotis Bozanis
Abstract: The tabular form constitutes the standard way of representing data in relational database systems and spreadsheets. But, similarly to other forms, tabular data suffers from class imbalance, a problem that causes serious performance degradation in a wide variety of machine learning tasks. One of the most effective solutions dictates the usage of Generative Adversarial Networks (GANs) in order to synthesize artificial data instances for the under-represented classes. Despite their good performance, none of the proposed GAN models takes into account the vector subspaces of the input samples in the real data space, leading to data generation in arbitrary locations. Moreover, the class labels are treated in the same manner as the other categorical variables during training, so conditional sampling by class is rendered less effective. To overcome these problems, this study presents ctdGAN, a conditional GAN for alleviating class imbalance in tabular datasets. Initially, ctdGAN executes a space partitioning step to assign cluster labels to the input samples. Subsequently, it utilizes these labels to synthesize samples via a novel probabilistic sampling strategy and a new loss function that penalizes both cluster and class mis-predictions. In this way, ctdGAN is trained to generate samples in subspaces that resemble those of the original data distribution. We also introduce several other improvements, including a simple, yet effective cluster-wise scaling technique that captures multiple feature modes without affecting data dimensionality. The exhaustive evaluation of ctdGAN with 14 imbalanced datasets demonstrated its superiority in generating high fidelity samples and improving classification accuracy.
Authors: Xiaojun Wu, Xiaoguang Jiang, Huiyang Li, Jucai Zhai, Dengfeng Liu, Qiaobo Hao, Huang Liu, Zhiguo Yang, Ji Xie, Ninglun Gu, Jin Yang, Kailai Zhang, Yelun Bao, Jun Wang
Abstract: Large language models (LLMs) demonstrate remarkable reasoning capabilities in tasks such as algorithmic coding and mathematical problem-solving. Recent methods have improved reasoning through expanded corpus and multistage training combining reinforcement learning and supervised fine-tuning. Although some methods suggest that small but targeted dataset can incentivize reasoning via only distillation, a reasoning scaling laws is still taking shape, increasing computational costs. To address this, we propose a data-efficient distillation framework (DED) that optimizes the Pareto frontier of reasoning distillation. Inspired by the on-policy learning and diverse roll-out strategies of reinforcement learning, the key idea of our approach is threefold: (1) We identify that benchmark scores alone do not determine an effective teacher model. Through comprehensive comparisons of leading reasoning LLMs, we develop a method to select an optimal teacher model. (2) While scaling distillation can enhance reasoning, it often degrades out-of-domain performance. A carefully curated, smaller corpus achieves a balanced trade-off between in-domain and out-of-domain capabilities. (3) Diverse reasoning trajectories encourage the student model to develop robust reasoning skills. We validate our method through evaluations on mathematical reasoning (AIME 2024/2025, MATH-500) and code generation (LiveCodeBench), achieving state-of-the-art results with only 0.8k carefully curated examples, bypassing the need for extensive scaling. Our systematic analysis demonstrates that DED outperforms existing methods by considering factors beyond superficial hardness, token length, or teacher model capability. This work offers a practical and efficient pathway to advanced reasoning while preserving general capabilities.
Authors: Yinsong Wang, Quan Zeng, Xiao Liu, Yu Ding
Abstract: A community of researchers appears to think that a machine can be surprised and have introduced various surprise measures, principally the Shannon Surprise and the Bayesian Surprise. The questions of what constitutes a surprise and how to react to one still elicit debates. In this work, we introduce Mutual Information Surprise (MIS), a new framework that redefines surprise not as anomaly measure, but as a signal of epistemic growth. Furthermore, we develop a statistical test sequence that could trigger a surprise reaction and propose a MIS-based reaction policy that dynamically governs system behavior through sampling adjustment and process forking. Empirical evaluations -- on both synthetic domains and a dynamic pollution map estimation task -- show that a system governed by the MIS-based reaction policy significantly outperforms those under classical surprise-based approaches in stability, responsiveness, and predictive accuracy. The important implication of our new proposal is that MIS quantifies the impact of new observations on mutual information, shifts surprise from reactive to reflective, enables reflection on learning progression, and thus offers a path toward self-aware and adaptive autonomous systems. We expect the new surprise measure to play a critical role in further advancing autonomous systems on their ability to learn and adapt in a complex and dynamic environment.
Authors: Kazumi Kasaura, Naoto Onda, Yuta Oriike, Masaya Taniguchi, Akiyoshi Sannai, Sho Sonoda
Abstract: Large Language Models (LLMs) have demonstrated significant promise in formal theorem proving. In this study, we investigate the ability of LLMs to discover novel theorems and produce verified proofs. We propose a pipeline called Conjecturing-Proving Loop (CPL), which iteratively generates mathematical conjectures and attempts to prove them in Lean 4. A key feature of CPL is that each iteration conditions the LLM on previously generated theorems and their formal proofs, enabling parameter-free improvement of proof strategies via in-context learning. We provide both theoretical and experimental evidence that CPL increases the discovery rate of hard-to-prove theorems compared to frameworks that generate statements and proofs simultaneously. Moreover, our experiments show that reusing the LLM's own formally verified outputs as context consistently improves subsequent proof success, demonstrating the effectiveness of self-generated in-context learning for neural theorem proving. The source code is available at https://github.com/auto-res/ConjecturingProvingLoop.
Authors: Dongkyu Cho, Miao Zhang, Rumi Chunara
Abstract: Data augmentation is a widely used strategy to improve model robustness and generalization by enriching training datasets with synthetic examples. While large language models (LLMs) have demonstrated strong generative capabilities for this purpose, their applications in high-stakes domains like healthcare present unique challenges due to the risk of generating clinically incorrect or misleading information. In this work, we propose a novel query-based model collaboration framework that integrates expert-level domain knowledge to guide the augmentation process to preserve critical medical information. Compared to existing LLM-based and traditional augmentation methods, our generated data significantly improves preservation of critical medical information and reduces hallucinations at both the token and concept levels. Experiments on downstream clinical prediction tasks demonstrate consistent performance gains over existing augmentation methods. This lightweight collaborative framework addresses the gap between LLM augmentation potential and the safety requirements of specialized domains.
Authors: Andreas Burger, Luca Thiede, Nikolaj R{\o}nne, Varinia Bernales, Nandita Vijaykumar, Tejs Vegge, Arghya Bhowmik, Alan Aspuru-Guzik
Abstract: Fundamental tasks in computational chemistry, from transition state search to vibrational analysis, rely on molecular Hessians, which are the second derivatives of the potential energy. Yet, Hessians are computationally expensive to calculate and scale poorly with system size, with both quantum mechanical methods and neural networks. In this work, we demonstrate that Hessians can be predicted directly from a deep learning model, without relying on automatic differentiation or finite differences. We observe that one can construct SE(3)-equivariant, symmetric Hessians from irreducible representations (irrep) features up to degree $l$=2 computed during message passing in graph neural networks. This makes HIP Hessians one to two orders of magnitude faster, more accurate, more memory efficient, easier to train, and enables more favorable scaling with system size. We validate our predictions across a wide range of downstream tasks, demonstrating consistently superior performance for transition state search, accelerated geometry optimization, zero-point energy corrections, and vibrational analysis benchmarks. We open-source the HIP codebase and model weights to enable further development of the direct prediction of Hessians at https://github.com/BurgerAndreas/hip
Authors: Oleksandr Shchur, Abdul Fatir Ansari, Caner Turkmen, Lorenzo Stella, Nick Erickson, Pablo Guerron, Michael Bohlke-Schneider, Yuyang Wang
Abstract: Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly with the rise of pretrained models. Existing benchmarks often have limited domain coverage or overlook real-world settings such as tasks with covariates. Their aggregation procedures frequently lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks lack consistent evaluation infrastructure or are too rigid for integration into existing pipelines. To address these gaps, we propose fev-bench, a benchmark of 100 forecasting tasks across seven domains, including 46 with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for forecasting evaluation emphasizing reproducibility and integration with existing workflows. Using fev, fev-bench employs principled aggregation with bootstrapped confidence intervals to report performance along two dimensions: win rates and skill scores. We report results on fev-bench for pretrained, statistical, and baseline models and identify promising future research directions.
Authors: Sahar Rajabi, Nayeema Nonta, Sirisha Rambhatla
Abstract: Low-rank gradient optimization for large language models is currently divided into two categories: structured methods that rigorously identify subspaces, and randomized approaches employed primarily for computational efficiency. In this work, we question the intuition behind why random projections are effective. We trace this phenomenon to the geometry of the gradient subspaces, which exhibits subspace optimization landscape has a nearly flat curvature, while a significant portion of gradient information lies outside the core subspace. Leveraging these insights, and drawing on randomized linear algebra, we theoretically establish that random low-rank projections preserve the geometry, and we introduce GrassWalk and GrassJump, algorithms that navigate the Grassmannian manifold via random walks and jumps. By coupling this randomized exploration with subspace-aware optimizer and recovering the lost gradient signals, we achieve state-of-the-art results on LLaMA-1B, LLaMA-7B, and Qwen-1.5B pretraining. Our findings reframe randomization not merely as a computational shortcut, but as a geometrically principled approach to high-dimensional optimizations.
Authors: Dhruv Kohli, Sawyer J. Robertson, Gal Mishne, Alexander Cloninger
Abstract: Estimating the tangent spaces of a data manifold is a fundamental problem in geometric data analysis. The standard approach, Local Principal Component Analysis (LPCA), struggles in high-noise setting due to a critical trade-off in choosing the neighborhood size. Selecting an optimal size requires prior knowledge of the geometric and noise characteristics of the data that are often unavailable. In this paper, we propose a spectral method, Laplacian Eigenvector Gradient Orthogonalization (LEGO), that utilizes the global structure of the data to guide local tangent space estimation. Instead of relying solely on local neighborhoods, LEGO estimates the tangent space at each data point by orthogonalizing the gradients of low-frequency eigenvectors of the graph Laplacian. We provide two theoretical justifications of our method. First, a differential geometric analysis on the tubular neighborhood of a manifold shows that gradients of the low-frequency Neumann eigenfunctions of the tube align closely with the manifold's tangent bundle, while an eigenfunction with high gradient in directions orthogonal to the manifold lie deeper in the spectrum. Second, a random matrix theoretic analysis also demonstrates that low-frequency eigenvectors are robust to sub-Gaussian noise. These results allow us to derive the asymptotic scaling and stability of the estimated eigenvector gradients. Numerical experiments demonstrate that LEGO yields tangent space estimates that are significantly more robust to noise than those from LPCA, resulting in marked improvements in downstream tasks such as manifold learning, boundary detection, and local intrinsic dimension estimation.
Authors: Foivos Alimisis, Rustem Islamov, Aurelien Lucchi
Abstract: Learning rate warm-up -- increasing the learning rate at the beginning of training -- has become a ubiquitous heuristic in modern deep learning, yet its theoretical foundations remain poorly understood. In this work, we provide a principled explanation for why warm-up improves training. We rely on a generalization of the $(L_0, L_1)$-smoothness condition, which bounds local curvature as a linear function of the loss suboptimality and exhibits desirable closure properties. We show -- both theoretically and empirically -- that this condition is satisfied by common neural architectures and accurately captures the curvature of the optimization landscape early in training. Adapting the learning rate in response to this curvature condition naturally induces a warm-up-like schedule, and we show that this choice yields provably faster convergence guarantees than using a fixed learning rate. Experiments on language and vision models show that the resulting one-parameter warm-up schedule can match tuned linear warm-up and improve over no warm-up.
Authors: Runze Zhang, Xiaowei Zhang, Mingyang Zhao
Abstract: Large language models (LLMs) are increasingly used to simulate human behavior in business, economics, and the social sciences, offering a low-cost complement to laboratory experiments, field studies, and surveys. This paper evaluates how well LLMs replicate human behavior in operations management. Using nine published behavioral-operations experiments, we assess LLM performance along two dimensions: whether LLM-generated data reproduce the original hypothesis-test outcomes, and whether their full response distributions align with human data, measured by Wasserstein distance. We find that LLMs often replicate hypothesis-level effects, suggesting that they can capture salient decision biases and behavioral regularities. However, their response distributions frequently diverge from human data, even for strong proprietary models, with dispersion mismatch playing an important role. We also examine two lightweight mitigation strategies: chain-of-thought prompting and hyperparameter tuning. Both can reduce distributional misalignment, and appropriate tuning can sometimes allow smaller or open-source models to match or outperform larger proprietary systems.
Authors: Matthieu Bou, Nyal Patel, Arjun Jagota, Satyapriya Krishna, Sonali Parbhoo
Abstract: The objectives that Large Language Models (LLMs) implicitly optimize remain dangerously opaque, making trustworthy alignment and auditing a grand challenge. While Inverse Reinforcement Learning (IRL) can infer reward functions from behaviour, existing approaches either produce a single, overconfident reward estimate or fail to address the fundamental ambiguity of the task (non-identifiability). This paper introduces a principled auditing framework that re-frames reward inference from a simple estimation task to a comprehensive process for verification. Our framework leverages Bayesian IRL to not only recover a distribution over objectives but to enable three critical audit capabilities: (i) Quantifying and systematically reducing non-identifiability by demonstrating posterior contraction over sequential rounds of evidence; (ii) Providing actionable, uncertainty-aware diagnostics that expose spurious shortcuts and identify out-of-distribution prompts where the inferred objective cannot be trusted; and (iii) Validating policy-level utility by showing that the refined, low-uncertainty reward can be used directly in RLHF to achieve training dynamics and toxicity reductions comparable to the ground-truth alignment process. Empirically, our framework successfully audits a detoxified LLM, yielding a well-calibrated and interpretable objective that strengthens alignment guarantees. Overall, this work provides a practical toolkit for auditors, safety teams, and regulators to verify what LLMs are truly trying to achieve, moving us toward more trustworthy and accountable AI.
Authors: Ayush Khot, Miruna Oprescu, Maresa Schr\"oder, Ai Kagawa, Xihaier Luo
Abstract: Causal inference in spatial domains faces two intertwined challenges: (1) unmeasured spatial factors, such as weather, air pollution, or mobility, that confound treatment and outcome, and (2) interference from nearby treatments that violate standard no-interference assumptions. While existing methods typically address one by assuming away the other, we show they are deeply connected: interference reveals structure in the latent confounder. Leveraging this insight, we propose the Spatial Deconfounder, a two-stage method that reconstructs a substitute confounder from local treatment vectors using a conditional variational autoencoder (C-VAE) with a spatial prior, then estimates causal effects with a flexible outcome model. We show that this enables nonparametric identification of direct and spillover effects under weak assumptions--without multiple treatment types or a known latent-field model. Empirically, we extend SpaCE, a benchmark suite for spatial confounding, to include treatment interference, and show that the Spatial Deconfounder consistently improves effect estimation across real-world environmental health and social science datasets. By turning local interference into a multi-cause proxy for latent spatial confounding, our framework advances robust causal inference for spatial data.
Authors: Erik Larsson, Joel Oskarsson, Tomas Landelius, Fredrik Lindsten
Abstract: Limited-Area Models (LAMs) enable weather forecasting over regional domains at higher resolutions than what is computationally feasible for global models. At such high resolutions, machine learning approaches for weather prediction increasingly rely on ensemble methods to produce probabilistic forecasts. However, existing machine learning LAMs are not scalable due to relying on computationally costly diffusion models or inefficient graph neural networks. We tackle this by introducing a new hybrid CNN/GNN architecture, tailored to the LAM weather forecasting problem. Using this architecture, we construct the DET-LAM deterministic model, producing LAM forecasts both more efficiently and accurately than its graph-based competitor. We then tackle the ensemble forecasting problem, by using this architecture as a backbone for the generative model CRPS-LAM. CRPS-LAM is trained using a Continuous Ranked Probability Score (CRPS) objective, enabling efficient training and sampling in a single forward pass. This yields a speedup of $\approx \times 39$ compared to diffusion-based baselines. We evaluate our approach on regional domains in northern Europe, demonstrating that CRPS-LAM produces skillful and well-calibrated forecasts across a range of atmospheric variables.
Authors: Noor Islam S. Mohammad, Ulu\u{g} Bayaz{\i}t
Abstract: We treat the internals of generative models as mechanistic objects rather than black boxes. We introduce \textbf{Attribution Graphs} (AGs), which extend GradCAM++ to circuit-level representations, and \textbf{Causal Probing}, a do-calculus intervention method for identifying causal latent structures, enabling detection and correction of spurious correlations, demographic biases, and misaligned decision circuits during training. We further propose the \textbf{Cognitive Alignment Score (CAS)}, quantifying agreement between model-internal representations and human concepts, a \textbf{saliency-first privacy mechanism} sharing only thresholded attribution nodes, a bias-aware regularizer aligning subgroup statistics, and a Reveal-to-Revise loop integrating attribution signals into parameter updates without separate fine-tuning. Evaluated on CelebA, FairFace, Jigsaw, and HateXplain, our method achieves \textbf{94.1\%} accuracy, \textbf{92.3\%} macro F1, \textbf{79.4\%} IoU-XAI, and \textbf{12.7} FID at 72--76\% adversarial robustness, while reducing subgroup disparity $\Delta_{\mathrm{bias}}$ by \textbf{41\%}, demonstrating that mechanistic interpretability, fairness, and generative performance can be jointly optimized.
Authors: Yifei Sun
Abstract: Neural operators are commonly utilized as fast surrogates for numerical solvers in PDE problems, mapping input functions to solution functions. However, their generalizability and robustness are not yet clearly defined in the solver-surrogate setting, which differs from traditional adversarial robustness definitions. This paper studies the generalizability and the robustness of a neural operator from a solver-integrated perspective, where the learned operator and the numerical solver act on the same perturbed input. We make three contributions. First, we define and distinguish generalization and robustness for neural operators through an error-operator view, identifying fixed-input model-solver loss as a generalization metric and separating it from perturbation-based robustness metrics such as norm-bounded adversarial attack loss increase. Second, we study which adversarial attack loss is appropriate for PDE operator learning and show why model-only or fixed-ground truth attacks can be misaligned when the solver output also changes with the input. Third, we develop solver-integrated adversarial attacks and training methods. Experiments on representative PDE benchmarks show that this solver-integrated adversarial training clearly improves both generalizability and robustness. Deeper solver integration yields more effective attacks, more informative samples, and more efficient training than less integrated alternatives. These results provide a general framework for robust operator training and automatic sample selection without heavy manual intervention.
Authors: Fiza Husain, Anson Bastos, Anjaly Parayil, Ayush Choure, Chetan Bansal, Rujia Wang, Saravan Rajmohan
Abstract: In this paper, we present DiRecGNN, an attention-enhanced entity recommendation framework for monitoring cloud services at Microsoft. We provide insights on the usefulness of this feature as perceived by the cloud service owners and lessons learned from deployment. Specifically, we introduce the problem of recommending the optimal subset of attributes (dimensions) that should be tracked by an automated watchdog (monitor) for cloud services. To begin, we construct the monitor heterogeneous graph at production-scale. The interaction dynamics of these entities are often characterized by limited structural and engagement information, resulting in inferior performance of state-of-the-art approaches. Moreover, traditional methods fail to capture the dependencies between entities spanning a long range due to their homophilic nature. Therefore, we propose an attention-enhanced entity ranking model inspired by transformer architectures. Our model utilizes a multi-head attention mechanism to focus on heterogeneous neighbors and their attributes, and further attends to paths sampled using random walks to capture long-range dependencies. We also employ multi-faceted loss functions to optimize for relevant recommendations while respecting the inherent sparsity of the data. Empirical evaluations demonstrate significant improvements over existing methods, with our model achieving a 43.1% increase in MRR. Furthermore, product teams who consumed these features perceive the feature as useful and rated it 4.5 out of 5.
Authors: Yong-Woon Kim, Jihyeok Lee, Chulung Kang, Yung-Cheol Byun
Abstract: Hydrogen crossover is a critical safety and efficiency constraint in high-pressure polymer electrolyte membrane water electrolysis (PEMWE), but accurate prediction remains difficult because data are limited, transport physics are strongly coupled, and industrial operation requires reliable extrapolation beyond observed conditions. This study develops a hard-constraint physics-residual network (PR-Net) for hydrogen crossover prediction in PEMWE and compares it with a purely data-driven neural network (NN) and a soft-constraint physics-informed neural network (PINN). PR-Net embeds Henry's, Fick's, and Faraday's laws as a deterministic backbone and learns only a residual correction for unmodelled nonlinear effects. The benchmark includes 184 observations from eight peer-reviewed sources across six membrane types, covering 1-200 bar, $25-85{\deg}C$, and $0.05-5.0 A cm^{-2}$. PR-Net achieves $R^2 = 99.57 \pm 0.16%$, with 9-fold lower prediction variability than NN and PINN. In pressure-axis extrapolation, PR-Net attains $R^2 = 94.02 \pm 0.92%$ at 200 bar, 2.5 times beyond the training pressure range, compared with $68.06 \pm 5.52%$ for PINN and $58.00 \pm 8.60%$ for NN (p < 0.001). Residual analysis indicates that the learned correction captures part of the high-pressure gas-phase non-ideality and recovers a transport-regime transition near $0.23 A cm^{-2}$ between Fickian diffusion-dominated and Faradaic production-dominated transport. With a computation time of $1.08 \pm 0.34 ms$ on low-power embedded hardware, PR-Net provides a practical framework for real-time crossover monitoring, adaptive process control, and safer high-pressure green-hydrogen operation.
Authors: Alan Yufei Dong, Jihao Andreas Lin, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Efficient Gaussian process (GP) inference is critical for sequential decision-making tasks such as active learning, online prediction, and Bayesian optimization. Iterative approaches of approximating the GP posterior using solvers like conjugate gradients, stochastic gradient descent, or alternating projections avoid cubic costs, but often require many iterations to converge, limiting their efficacy when the posterior is updated frequently with new data. To address this, we introduce three warm-start strategies that exploit solutions of smaller linear systems to substantially speed-up convergence when updating the posterior with new data. Our methods are supported by theoretical analysis showing reduced initialization error in reproducing kernel Hilbert space (RKHS) distance, and by empirical results on regression benchmarks and Bayesian optimization tasks. Across solvers, warm-starting achieves speed-ups of up to 19x when solving to tolerance, and produces more accurate posterior estimates under fixed compute budgets, directly improving optimization performance. These results establish warm-starting as a simple, effective, and broadly applicable tool for scaling Gaussian processes in sequential settings.
Authors: Kuangpu Guo, Aijing Yu, Jian Liang, Yuhe Ding, Zilei Wang, Ran He, Tieniu Tan
Abstract: Model merging has emerged as a promising paradigm for enabling multi-task capabilities without additional training. However, traditional basic merging methods often experience performance degradation due to parameter conflicts, even when applied to similar tasks. While recent personalized merging frameworks successfully preserve task-specific information to maintain performance, they typically incur storage overhead. In this paper, we propose Decomposition, Thresholding, and Scaling (DTS), an approximation-based personalized merging framework that pushes task-specific storage efficiency. DTS first applies singular value decomposition to the task-specific information and retains only a small subset of singular values and vectors. It then introduces a novel thresholding strategy that partitions singular vector elements into groups and assigns a scaling factor to each group. To enable generalization to unseen tasks, we further extend DTS with a variant that fuses task-specific information in a data-free manner based on the semantic similarity of task characteristics. Extensive experiments demonstrate that DTS consistently outperforms state-of-the-art baselines while requiring only 1\% extra storage per task. Furthermore, experiments on unseen tasks show that the DTS variant achieves significantly better generalization performance. Our code is available at https://github.com/krumpguo/DTS.
Authors: Florent Forest, Amaury Wei, Olga Fink
Abstract: Time series extrinsic regression (TSER) refers to the task of predicting a continuous target variable from an input time series. It appears in many domains, including healthcare, finance, environmental monitoring, and engineering. In these settings, accurate predictions and trustworthy reasoning are both essential. Although state-of-the-art TSER models achieve strong predictive performance, they typically operate as black boxes, making it difficult to understand which temporal patterns drive their decisions. Post-hoc interpretability techniques, such as feature attribution, aim to to explain how the model arrives at its predictions, but often produce coarse, noisy, or unstable explanations. Recently, inherently interpretable approaches based on concepts, additive decompositions, or symbolic regression, have emerged as promising alternatives. However, these approaches remain limited: they require explicit supervision on the concepts themselves, often cannot capture interactions between time-series features, lack expressiveness for complex temporal patterns, and struggle to scale to high-dimensional multivariate data. To address these limitations, we propose MAGNETS (Mask-and-AGgregate NEtwork for Time Series), an inherently interpretable neural architecture for TSER. MAGNETS learns a compact set of human-understandable concepts without requiring any annotations. Each concept corresponds to a learned, mask-based aggregation over selected input features, explicitly revealing both which features drive predictions and when they matter in the sequence. Predictions are formed as combinations of these learned concepts through a transparent, additive structure, enabling clear insight into the model's decision process. The code implementation and datasets are publicly available at https://github.com/FlorentF9/MAGNETS.
Authors: Sijia Li, Yuchen Huang, Zifan Liu, Zijian Li, Jingjing fu, Lei Song, Jiang Bian, Jun Zhang, Rui Wang
Abstract: As intents unfold and environments change, multi-turn agents face continuously shifting decision contexts. Although reusing past experience is intuitively appealing, existing approaches remain limited: full trajectories are often too context-specific to transfer, while tool-level reuse ignores the surrounding context and environment. In this paper, we introduce a hybrid episodic-procedural memory strategy (H-EPM) that enables experience-induced self-evolution of multi-turn tool-use policies by adaptively reusing partially overlapping successful experiences during both inference and training. Inspired by human episodic-procedural integration, we construct a tool graph from accumulated trajectories, where recurring tool-to-tool dependencies capture procedural routines and each edge is augmented with compact episodic summaries of relevant context. At inference time, the agent dynamically balances episodic recall for contextual reasoning with procedural execution for routine steps. Beyond inference, H-EPM introduces a memory-guided reinforcement learning paradigm that directly addresses a core challenge in multi-turn agent reinforcement learning, namely ineffective exploration over long trajectories. By biasing exploration toward historically successful tool transitions, H-EPM learns a stronger policy that generalizes at inference time without relying on domain-specific experience collection. Experiments show that H-EPM consistently delivers substantial inference-time gains over strong baselines across multi-turn tool-use benchmarks, reaching improvements of up to fifty percent. It also improves reinforcement learning policy performance, achieving gains of up to forty percent on out-of-distribution tasks.
Authors: Joel Ekstrand, Tor Mattsson, Zahra Taghiyarrenani, Slawomir Nowaczyk, Jens Lundstr\"om, Mikael Lind\'en
Abstract: Reliable forecasting of multivariate time series under anomalous conditions is crucial in applications such as ATM cash logistics, where sudden demand shifts can disrupt operations. Modern deep forecasters achieve high accuracy on normal data but often fail when distribution shifts occur. We propose Weighted Contrastive Adaptation (WECA), a Weighted contrastive objective that aligns normal and anomaly-augmented representations, preserving anomaly-relevant information while maintaining consistency under benign variations. Evaluations on a nationwide ATM transaction dataset with domain-informed anomaly injection show that WECA improves SMAPE on anomaly-affected data by 6.1 percentage points compared to a normally trained baseline, with negligible degradation on normal data. These results demonstrate that WECA enhances forecasting reliability under anomalies without sacrificing performance during regular operations.
Authors: Yongyao Wang, Xie Yu, Jingyuan Wang, Jiahao Ji, Chao Li
Abstract: Traffic forecasting task is significant to modern urban management. Recently, there is growing attention on large-scale forecasting, as it better reflects the complexity of real-world traffic networks. However, existing models often exhibit quadratic computational complexity, making them impractical for large-scale real-world scenarios. In this paper, we propose a novel framework, Spatio-Temporal Hierarchical Mixer (HieraMix), which leverages an all-MLP architecture for efficient and effective large-scale traffic forecasting. HieraMix employs a hierarchical spatiotemporal mixing block to extract multi-resolution features through bottom-up aggregation and top-down propagation. Furthermore, an adaptive region mixer generates transformation matrices based on regional semantics, enabling our model to dynamically capture evolving spatiotemporal patterns for different regions. Extensive experiments conducted on four large-scale real-world datasets demonstrate that the proposed method not only achieves state-of-the-art performance but also exhibits competitive computational efficiency.
Authors: Muhammad Abid, Omer San
Abstract: Deep Operator Networks (DeepONets) have emerged as a powerful framework for data-driven operator learning, providing flexible surrogates for nonlinear mappings arising in partial differential equations (PDEs). However, the standard trunk network, which operates directly on raw spatial or spatiotemporal coordinates through fully connected layers, often struggles to represent sharp gradients, boundary layers, and other non-periodic solution structures on bounded domains. To address these limitations, we introduce the Spectral-Embedded Deep Operator Network (SEDONet), a novel DeepONet architecture in which the trunk is driven by a fixed Chebyshev spectral dictionary instead of coordinate inputs. This non-periodic spectral embedding provides a principled inductive bias for bounded domains, enabling the learned operator to capture fine-scale features that are difficult for Fourier-based or MLP-only trunks to represent. SEDONet is evaluated on the 2-D Poisson equation, 1-D Burgers' equation, 1-D advection-diffusion equation, Allen-Cahn equation, Lorenz-96 chaotic system, and Darcy flow, covering elliptic, hyperbolic, parabolic, chaotic, and multiscale problems. Across all benchmarks, SEDONet consistently achieves the lowest or statistically comparable relative $L^2$ errors among DeepONet, FEDONet, and SEDONet, with improvements of up to 54% over the baseline DeepONet and consistent gains over Fourier-embedded variants on bounded, non-periodic problems. Energy spectrum analyses further demonstrate that SEDONet more accurately preserves intermediate- and high-frequency solution structures. The proposed framework provides a simple, parameter-neutral modification to DeepONets, offering a robust and computationally efficient spectral approach for surrogate modeling of nonlinear operators in scientific computing.
Authors: Sana Rahmani, Javad Hashemi, Ali Etemad
Abstract: Label ambiguity is an inherent and largely unaddressed challenge in real-world electrocardiogram (ECG) diagnosis, arising from overlapping conditions and diagnostic disagreements. However, current ECG models are trained assuming clean and non-ambiguous annotations, limiting both the development and meaningful evaluation of models under real-world conditions. Although Partial Label Learning (PLL) frameworks are designed to learn from ambiguous labels, their effectiveness in medical time-series domains, ECG in particular, remains largely underexplored. We present the first systematic study of PLL methods for ECG diagnosis under both real and controlled ambiguity. First, we adapt nine PLL algorithms to multi-label ECG diagnosis under label ambiguity, and perform detailed evaluations on real clinical settings with multi-annotator diagnostic disagreements. Next, to study PLL effects on ECG in more depth under controlled settings, we introduce a diverse set of clinically motivated synthetic label ambiguities. Our experiments demonstrate that PLL methods vary substantially in robustness across ambiguity types and levels. Moreover, we observe that PLL generally outperforms standard supervised training under label ambiguity, highlighting the value of such frameworks. Through extensive analysis, we identify key limitations of current PLL approaches for clinical settings and outline future directions for developing robust and clinically aligned ambiguity-aware learning frameworks for ECG diagnosis.
Authors: Qingxiao Sun, Tongxuan Liu, Shen Zhang, Siyu Wu, Peijun Yang, Haotian Liang, Menxin Li, Xiaolong Ma, Zhiwei Liang, Ziyi Ren, Minchao Zhang, Yifan Wang, Xinyu Liu, Ke Zhang, Hailong Yang, Depei Qian
Abstract: Recommendation system delivers substantial economic benefits by providing personalized predictions. Generative recommendation (GR) integrates LLMs to enhance the understanding of long user-item sequences. Despite employing attention-based architectures, GR's workload differs markedly from that of LLM serving. GR typically processes long prompt while producing short, fixed-length outputs, yet the computational cost of each decode phase is especially high due to the large beam width. Furthermore, since the beam search involves a vast item space, the sorting overhead becomes particularly time-consuming. We propose xGR, a GR-oriented serving system that meets strict low-latency requirements under high-concurrency scenarios. First, xGR unifies the processing of prefill and decode phases through staged computation and separated KV cache. Second, xGR enables early sorting termination and mask-based item filtering with data structure reuse. Third, xGR reconstructs the overall pipeline to exploit multi-level overlap and multi-stream parallelism. The experiments on real-world datasets demonstrate that xGR achieves at least 2.89x throughput compared to the state-of-the-art baseline under strict latency constraints.
Authors: Xu Zhang, Junwei Deng, Chang Xu, Hao Li, Jiang Bian
Abstract: Time series generation (TSG) is widely used across domains, yet most existing methods assume regular sampling and fixed output resolutions. These assumptions are often violated in practice, where observations are irregular and sparse, while downstream applications require continuous and high-resolution TS. Although Neural Controlled Differential Equation (NCDE) is promising for modeling irregular TS, it is constrained by a single dynamics function, tightly coupled optimization, and limited ability to adapt learned dynamics to newly generated samples from the generative model. We propose Diff-MN, a continuous TSG framework that enhances NCDE with a Mixture-of-Experts (MoE) dynamics function and a decoupled architectural design for dynamics-focused training. To further enable NCDE to generalize to newly generated samples, Diff-MN employs a diffusion model to parameterize the NCDE temporal dynamics parameters (MoE weights), i.e., jointly learn the distribution of TS data and MoE weights. This design allows sample-specific NCDE parameters to be generated for continuous TS generation. Experiments on ten public and synthetic datasets demonstrate that Diff-MN consistently outperforms strong baselines on both irregular-to-regular and irregular-to-continuous TSG tasks. The code is available at the link https://github.com/microsoft/TimeCraft/tree/main/Diff-MN.
URLs: https://github.com/microsoft/TimeCraft/tree/main/Diff-MN.
Authors: Mathieu Petitbois, R\'emy Portelas, Sylvain Lamprier
Abstract: We study offline reinforcement learning of style-conditioned policies using explicit style supervision via subtrajectory labeling functions. In this setting, aligning style with high task performance is particularly challenging due to distribution shift and inherent conflicts between style and reward. Existing methods, despite introducing numerous definitions of style, often fail to reconcile these objectives effectively. To address these challenges, we propose a unified definition of behavior style and instantiate it into a practical framework. Building on this, we introduce Style-Conditioned Implicit Q-Learning (SCIQL), which leverages offline goal-conditioned RL techniques, such as hindsight relabeling and value learning, and combine it with a new Gated Advantage Weighted Regression mechanism to efficiently optimize task performance while preserving style alignment. Experiments demonstrate that SCIQL achieves superior performance on both objectives compared to prior offline methods. Code, datasets and visuals are available in: https://mathieu-petitbois.github.io/projects/sciql/.
Authors: Rohan Tangri, Jan-Peter Calliess
Abstract: We introduce Canary, a risk-averse method designed to optimize Value-at-Risk (VaR) constrained reinforcement learning (RL) problems. We employ Cantelli's inequality to obtain a tractable, conservative and smooth bound on the VaR constraint based on the first two moments of the cost return. This yields a constraint estimator that remains stable with tight violation thresholds in dense cost regimes. Extending the trust-region framework of the Constrained Policy Optimization (CPO) method, we further provide worst-case bounds for both policy improvement and constraint violation during the training process. Empirically, across continuous-control safety benchmarks, Canary most reliably satisfies its constraint, with the fewest violations and the earliest permanent satisfaction, while remaining reward-competitive with other baselines that also satisfy.
Authors: Rajib Mostakim, Reza T. Batley, Sourav Saha
Abstract: Deep reinforcement learning (RL) is increasingly deployed in resource-constrained environments, yet go-to function approximators - multilayer perceptrons (MLPs) - are often parameter-inefficient due to an imperfect inductive bias for the smooth structure of many value functions. This mismatch can also hinder sample efficiency and slow policy learning in this capacity-limited regime. Although model compression techniques exist, they operate post-hoc and do not improve learning efficiency. Spline-based architectures such as Kolmogorov-Arnold Networks (KANs) have been shown to offer parameter efficiency but are widely reported to exhibit significant computational overhead, especially at scale. In seeking to address these limitations, this work introduces SPAN (SPline-based Adaptive Networks) for RL. SPAN adapts the KHRONOS framework with a learnable preprocessing layer. SPAN is evaluated across discrete (PPO) and high-dimensional continuous (SAC) control tasks, offline settings (Minari/D4RL) and a real-world datacenter HVAC control application. SPAN achieves a 30-50% improvement in sample efficiency and 1.3-9 times higher success rates across benchmarks compared to MLP baselines. Despite incurring a per-step evaluation overhead of 1.2-1.8x, SPAN's superior convergence reliability yields an expected total training cost 1.3-6.3x lower than MLP baselines when accounting for convergence failures. In the HVAC application, SPAN reduces energy consumption in 9 of 12 months relative to MLP while simultaneously achieving a 1.1-3.4x reduction in thermal comfort violations across the evaluation year, demonstrating generalization to real-world engineering control. Furthermore, SPAN demonstrates superior anytime performance and robustness to hyperparameter variations, suggesting it as a viable, high-performance alternative for learning efficient policies in resource-limited settings.
Authors: Seoungbin Bae, Junyoung Son, Dabeen Lee
Abstract: Explosive demands for LLMs often cause user queries to accumulate in server queues, requiring efficient routing (query-LLM matching) and scheduling (query prioritization) mechanisms. Several online algorithms are being deployed, but they overlook the following two key challenges inherent to conversational LLM services: (1) unsatisfied users may retry queries, increasing the server backlog, and (2) requests for ``explicit" feedback, such as ratings, degrade user experiences. In this paper, we develop a joint routing and scheduling algorithm that leverages ``implicit" feedback inferred from user retrial behaviors. The key idea is to propose and study the framework of contextual queueing bandits with multinomial logit feedback (CQB-MNL). CQB-MNL models query retrials, as well as context-based learning for user preferences over LLMs. Our algorithm, anytime CQB (ACQB), achieves efficient learning while maintaining queue stability by combining Thompson sampling with forced exploration at a decaying rate. We show that ACQB simultaneously achieves a cumulative regret of $\widetilde{\mathcal{O}}(\sqrt{t})$ for routing and a queue length regret of $\widetilde{\mathcal{O}}(t^{-1/4})$ for any large $t$. For experiments, we refine query embeddings via contrastive learning while adopting a disjoint parameter model to learn LLM-specific parameters. Experiments on synthetic data, offline routing datasets (SPROUT, EmbedLLM, and RouterBench), and real user conversation logs (WildChat-1M) confirm that our methods improve routing, scheduling, and queue stability against strong online and offline-trained baselines.
Authors: Qifan Yu, Xinyu Ma, Zhijian Zhuo, Minrui Wang, Deyi Liu, Shiyi Zhan, Yiyuan Ma, Liang Xiang, Xingyan Bin, Di He
Abstract: Progressive Learning (PL) reduces pre-training computational overhead by gradually increasing model scale. While prior work has extensively explored depth expansion, width expansion remains significantly understudied, with the few existing methods limited to the early stages of training. However, expanding width during the mid-stage is essential for maximizing computational savings, yet it remains a formidable challenge due to severe training instabilities. Empirically, we show that naive initialization at this stage disrupts activation statistics, triggering loss spikes, while copy-based initialization introduces gradient symmetry that hinders feature diversity. To address these issues, we propose SPARKLING (balancing {S}ignal {P}reservation {A}nd symmet{R}y brea{K}ing for width-progressive {L}earn{ING}), a novel framework for mid-stage width expansion. Our method achieves signal preservation via RMS-scale consistency, stabilizing activation statistics during expansion. Symmetry breaking is ensured through asymmetric optimizer state reset and asymmetric learning rate re-warmup. Extensive experiments on dense and Mixture-of-Experts (MoE) models demonstrate that, across multiple width axes and optimizer families, SPARKLING consistently outperforms training from scratch and reduces training cost by up to 35% under $2\times$ width expansion.
Authors: Hang Zhou, Haixu Wu, Haonan Shangguan, Yuezhou Ma, Huikun Weng, Jianmin Wang, Mingsheng Long
Abstract: Deep learning has emerged as a transformative tool for the neural surrogate modeling of partial differential equations (PDEs), known as neural PDE solvers. However, scaling these solvers to industrial-scale geometries with over $10^8$ cells remains a fundamental challenge due to the prohibitive memory complexity of processing high-resolution meshes. We present Transolver-3, a new member of the Transolver family as a highly scalable framework designed for high-fidelity physics simulations. To bridge the gap between limited GPU capacity and the resolution requirements of complex engineering tasks, we introduce two key architectural optimizations: faster slice and deslice by exploiting matrix multiplication associative property and geometry slice tiling to partition the computation of physical states. Combined with an amortized training strategy by learning on random subsets of original high-resolution meshes and a physical state caching technique during inference, Transolver-3 enables high-fidelity field prediction on industrial-scale meshes. Extensive experiments demonstrate that Transolver-3 can handle meshes with over 160 million cells, achieving impressive performance across three challenging simulation benchmarks, including aircraft and automotive design tasks. Code is available at https://github.com/thuml/Transolver-3.
Authors: Pei-Chi Pan, Yingbin Liang, Sen Lin
Abstract: Large Language Models (LLMs) demonstrate transformative potential, yet their reasoning remains inconsistent and unreliable. Reinforcement learning (RL)-based fine-tuning is a key mechanism for improvement, but its effectiveness is fundamentally governed by reward design. Despite its importance, the relationship between reward modeling and core LLM challenges--such as evaluation bias, hallucination, distribution shift, and efficient learning--remains poorly understood. This work argues that reward modeling is not merely an implementation detail but a central architect of reasoning alignment, shaping what models learn, how they generalize, and whether their outputs can be trusted. We introduce Reasoning-Aligned Reinforcement Learning (RARL), a reasoning-centric taxonomic perspective that organizes diverse reward paradigms for multi-step reasoning. Within this perspective, we present a taxonomy of reward mechanisms, analyze reward hacking as a pervasive failure mode, and examine how reward signals unify challenges ranging from inference-time scaling to hallucination mitigation. We further critically evaluate existing benchmarks, highlighting vulnerabilities such as data contamination and reward misalignment, and outline directions for more robust evaluation. By integrating fragmented research threads and clarifying the interplay between reward design and fundamental reasoning capabilities, this work provides a foundational roadmap for building reasoning models that are robust, verifiable, and trustworthy.
Authors: Qingsong Wang, Mikhail Belkin, Yusu Wang
Abstract: Steering diffusion models toward conditions unseen during training typically requires either retraining with conditional inputs or per-step gradient computations, both of which incur substantial computational overhead. We present Noise-Aligned RFM Steering (NA-RFM), a general recipe for efficiently steering diffusion models without gradient guidance during inference, enabling fast controllable generation. The method combines two offline-computed signals: noise alignment, a high-noise correction from PCA statistics of the target examples and the full data, and Recursive Feature Machine (RFM) activation steering, which learns a target-discriminative direction from labeled forward-process activations. During sampling, noise alignment provides coarse control at high noise, while the RFM direction is reused over intermediate/late timesteps through lightweight activation edits. Experiments on CIFAR-10, ImageNet, CelebA, and fine-grained bird species show improved target accuracy over gradient-based post-hoc guidance baselines, improved FID on the class-guidance benchmarks, and substantial inference speedups. Code: https://github.com/isotrivial/na-rfm.
Authors: Yuchen Ma, Yue Huang, Wenjie Wang, Xiaonan Luo, Xiangliang Zhang, Stefan Feuerriegel
Abstract: Personalized prompting offers large opportunities for deploying large language models (LLMs) to diverse users, yet existing prompt optimization methods primarily focus on task-level optimization while largely overlooking user-specific preferences and latent constraints of individual users. This gap is primarily due to (i) the absence of high-quality, privacy-sensitive data that capture personalized user-LLM interactions at scale, and (ii) the lack of robust reward signals for individual preferences. To overcome existing data limitations, we introduce a high-fidelity synthetic data generation framework called PersonaGym. Unlike prior work that treats personalization as static persona-preference pairs, PersonaGym models a dynamic preference process via an agentic LLM system to simulate realistic preference behaviors and semantic-aware noise in order to generate personalized multi-turn interaction trajectories. Using PersonaGym, we release PersonaAtlas, a large-scale, high-quality, and diverse synthetic dataset of high-fidelity multi-turn personalized interaction trajectories that closely mirror real-world preference expression and noise patterns. We further propose Personalized Prompt Optimization (PPOpt), a scalable and model-agnostic framework that optimizes user prompts based on interaction histories without modifying the deployed LLM. PPOpt adopts a reason-then-optimize paradigm that infers an explicit user profile and conditions prompt rewriting on the user profile to avoid reward hacking. Our training procedure for PPOpt integrates a cold-start supervised prior with outcome-driven multi-objective reinforcement learning. We present extensive experiments to demonstrate consistent improvements over state-of-the-art baselines in terms of task performance, personalization quality, and robustness to noisy as well as to sparse preference signals.
Authors: Haiwen Guan, Dibyajyoti Chakraborty, Moein Darman, Troy Arcomano, Ashesh Chattopadhyay, Romit Maulik
Abstract: The proliferation of data-driven models in weather and climate sciences has marked a significant paradigm shift, with advanced models demonstrating exceptional skill in medium-range forecasting. However, these models are often limited by long-term instabilities, climatological drift, and substantial computational costs during training and inference, restricting their broader application for climate studies. Addressing these limitations, Guan et al. (2024) introduced LUCIE, a lightweight, physically consistent climate emulator utilizing a Spherical Fourier Neural Operator (SFNO) architecture. This model is able to reproduce accurate long-term statistics including climatological mean and seasonal variability. However, LUCIE's native resolution (~300 km) is inadequate for detailed regional impact assessments. To overcome this limitation, we introduce a deep learning-based downscaling framework, leveraging probabilistic diffusion-based generative models with conditional and posterior sampling frameworks. These models downscale coarse LUCIE outputs to 25 km resolution. They are trained on approximately 14,000 ERA5 timesteps spanning 2000-2009 and evaluated on LUCIE predictions from 2010 to 2020. Model performance is assessed through diverse metrics, including latitude-averaged RMSE, power spectrum, probability density functions and First Empirical Orthogonal Function of the zonal wind. We observe that the proposed approach is able to preserve the coarse-grained dynamics from LUCIE while generating fine-scaled climatological statistics at ~28km resolution.
Authors: Yu Huang, Zixin Wen, Yuejie Chi, Yuting Wei, Aarti Singh, Yingbin Liang, Yuxin Chen
Abstract: Reinforcement learning with verifiable rewards (RLVR) has been a main driver of recent breakthroughs in large reasoning models. Yet it remains a mystery how rewards based solely on final outcomes can help overcome the long-horizon barrier to extended reasoning. To understand this, we develop a theory of the training dynamics of RLVR for transformers on compositional reasoning tasks. Our theory shows that mixed-difficulty training naturally induces an implicit curriculum: without any explicit schedule, easier problems become learnable first and shape the frontier for harder ones, creating a learning progression from easy to hard during optimization. The effectiveness of this curriculum is governed by the smoothness of the difficulty spectrum. When the spectrum is smooth, training dynamics enter a well-behaved relay regime, in which persistent gradient signals on easier problems make slightly harder ones tractable and keep training at the edge of competence. When the spectrum contains abrupt discontinuities, training undergoes grokking-type phase transitions with prolonged plateaus before progress recurs. As a technical contribution, our analysis develops and adapts techniques from Fourier analysis on finite groups to our setting. We validate the predicted mechanisms empirically via controlled synthetic experiments and real-model RLVR runs.
Authors: Sarthak Kumar Maharana, Akshay Mehra, Bhavya Ramakrishna, Yunhui Guo, Guan-Ming Su
Abstract: Audio-visual continual test-time adaptation involves continually adapting a source audio-visual model at test-time, to unlabeled non-stationary domains, where either or both modalities can be distributionally shifted, which hampers online cross-modal learning and eventually leads to poor accuracy. While previous works have tackled this problem, we find that SOTA methods suffer from catastrophic forgetting where the model's performance drops well below even the source model due to continual parameter updates at test-time. In this work, we first show that adapting only the modality fusion layer to a target domain not only improves performance on that domain but can also enhance performance on subsequent domains. Based on this strong cross-task transferability of the fusion layer's parameters, we propose a method, $\texttt{AVReCAP}$, that improves test-time performance of the models without access to any source data. Our approach works by using a selective parameter retrieval mechanism that dynamically retrieves the best fusion layer parameters from a buffer using only a small batch of test data. These parameters are then integrated into the model, adapted to the current test distribution, and saved back for future use. Extensive experiments on benchmark datasets involving unimodal and bimodal corruptions show our proposed $\texttt{AVReCAP}$ significantly outperforms existing methods while minimizing catastrophic forgetting.
Authors: Runlong Liao, Jian Yu, Baiyu Su, Chi Zhang, Lizhang Chen, Qiang Liu
Abstract: Flow-based generative methods offer a simple and effective framework for high-fidelity generation, yet pretrained flow models are rarely used in their vanilla conditional form: in image generation, samples without guidance often appear diffuse and lack fine-grained detail. Existing guidance techniques such as classifier-free guidance (CFG) improve fidelity but reduce sample diversity. We introduce Momentum Guidance (MG), a guidance method that improves sample quality by extrapolating the current velocity away from an exponential moving average of past velocities along the ODE trajectory, while preserving the standard one-evaluation-per-step cost. MG provides gains beyond CFG, improving the precision-recall Pareto frontier. Experiments demonstrate the effectiveness of MG across benchmarks. On ImageNet-256, MG improves FID by 36.54% without CFG and 25.42% with CFG on average across sampling settings, attaining an FID of 1.553 at 16 sampling steps. Evaluations on large flow-based models, including Stable Diffusion 3 and FLUX.1-dev, further confirm improvements across standard metrics.
Authors: Tyler Bonnet, Marek Rei
Abstract: Edge classification on directed dynamic graphs requires modeling interactions between source and destination nodes exhibiting asymmetrical behavioral patterns and temporal dynamics. However, existing dynamic graph architectures largely rely on shared parameters for processing source and destination nodes, with limited or no systematic role-aware modeling. We propose DyGnROLE (Dynamic Graph Node-Role-Oriented Latent Encoding), a Transformer-based architecture that disentangles source and destination representations. By using separate embedding tables and role-semantic positional encodings, the model captures the distinct structural and temporal contexts unique to each role. Critical in limited-label settings, which are common in edge classification, is a self-supervised pretraining objective we introduce: Directional Role Alignment (DRA). DRA learns distinct but aligned source and destination embedding spaces by training source representations to retrieve their corresponding destination representations while a historical positive masking strategy excludes previously observed interactions from future negative comparisons. The masks introduce a temporally directional training signal in which node pairs progress monotonically from unseen to observed, after which the relationship is eligible only for further alignment. A comprehensive evaluation on four edge classification tasks across eight datasets demonstrates that DyGnROLE consistently outperforms a wide range of state-of-the-art baselines, highlighting the importance of role-aware representation learning and asymmetric pretraining for modeling complex directed interactions when labeled data is limited.
Authors: Simon Roschmann, Paul Krzakala, Sonia Mazelet, Quentin Bouniot, Zeynep Akata
Abstract: The Platonic Representation Hypothesis posits that neural networks trained on different modalities converge toward a shared statistical model of the world. Recent work exploits this convergence by aligning frozen pretrained vision and language models with lightweight alignment layers, but typically relies on contrastive losses and millions of paired samples. In this work, we ask whether meaningful alignment can be achieved with substantially less supervision. We introduce a semi-supervised setting in which pretrained unimodal encoders are aligned using a small number of image-text pairs together with large amounts of unpaired data. To address this challenge, we propose SOTAlign, a two-stage framework that first recovers a coarse shared geometry from limited paired data using a linear teacher, and then refines the alignment on unpaired samples via an optimal-transport-based divergence that transfers relational structure without overconstraining the target space. SOTAlign effectively leverages unpaired images and text, learning robust joint embeddings across datasets and encoder pairs, and significantly outperforming supervised and semi-supervised baselines. Code is available at https://github.com/ExplainableML/SOTAlign.
Authors: Sara Dragutinovi\'c, Yedi Zhang, Rajesh Ranganath
Abstract: While Adam has long been the ubiquitous default optimizer for deep neural networks, Muon has recently seen rapid adoption due to its superior training speed. Although much of the literature focuses on validating the benefits of Muon, our work investigates the potential downsides of the mechanism driving this speedup. On the theoretical front, we analyze the learning dynamics of simplified Muon on deep linear networks and linear attention. Our analysis reveals that Muon gains speed by avoiding saddle points, but does so at the expense of the simplicity bias characteristic of Gradient Descent (GD), where the complexity of the functional solution learned grows sequentially. Experiments demonstrate the consequences of losing the simplicity bias, showing that Muon struggles to uncover common underlying structure across tasks and may be prone to fitting spurious features. More broadly, this paper serves as a reminder that faster optimization is rarely a free lunch; improvements in optimization can come at the cost of changes in the inductive biases that shape generalization.
Authors: Jian Qian, Jiachen Xu
Abstract: We revisit transductive learning where predictions are made with the set of all covariates known in advance. In the leave-one-out (LOO) setting, the prediction is made with labels of the remaining sample points and evaluated by the average error. In particular, we study multiplicative oracle inequalities for agnostic transductive LOO prediction for a variety of tasks, including classification with 0-1 loss, squared loss regression, density estimation, and logistic regression. Specifically, we introduce \emph{Median of Level-Set Aggregation} (MLSA), an aggregation procedure built on near-ERM level sets (i.e., empirical-risk level sets around the ERM). We prove a general multiplicative oracle inequality for the LOO error of the form \[ LOO_S(MLSA) \;\le\; C \left( \frac{1}{n} \min_{h\in H} L_S(h) \;+\; \frac{\log |H|}{n}\right), \qquad C>1, \] where $H$ is the hypothesis/function class. This inequality holds for hypothesis classes under a local level-set growth condition together with losses satisfying a mild monotonicity assumption. For classification with VC classes under the $0$--$1$ loss, the $\log |H|$ factor can be improved to be $d\log n$, where $d$ is the VC dimension, recovering Long (1998) up to a $\log n$ factor. For logistic regression with bounded covariates and parameters, the $\log |H|$ factor can be improved to be $d\log n$ up to problem-dependent factors, where $d$ is the ambient dimension.
Authors: Aran Nayebi
Abstract: As artificial agents become increasingly capable, what internal structure is necessary for an agent to act competently under uncertainty? Classical results show that optimal control can be implemented using belief states or world models, but not that such representations are required. We prove quantitative "selection theorems" showing that strong task performance (low average-case regret) forces world models, belief-like memory and -- under task mixtures -- persistent regime-tracking variables resembling functional primitives of emotion, along with informational modularity under block-structured tasks. Our results cover stochastic policies, partial observability, and evaluation under task distributions, without assuming optimality, determinism, or access to an explicit model. Technically, we reduce predictive modeling to binary "betting" decisions and show that regret bounds limit probability mass on suboptimal bets, enforcing the predictive distinctions needed to separate high-margin outcomes. In fully observed settings, this yields approximate recovery of the interventional transition kernel; under partial observability, it implies necessity of predictive state and belief-like memory, addressing an open question in prior world-model recovery work.
Authors: Rustem Islamov, Michael Crawshaw, Jeremy Cohen, Robert Gower
Abstract: The Edge of Stability (EoS) is a phenomenon where the sharpness (largest eigenvalue) of the Hessian approaches and then hovers near the stability threshold $2/\eta$ during gradient descent (GD) with step size $\eta$. Despite (apparently) violating classical smoothness assumptions, EoS has been widely observed in deep learning, but its theoretical foundations remain incomplete. We provide an interpretation of EoS through the lens of Directional Smoothness [Mishkin et al., 2024]. This interpretation naturally extends to non-Euclidean norms, which we use to define generalized sharpness under an arbitrary norm. Our generalized sharpness measure includes previously studied vanilla GD and preconditioned GD as special cases, as well as methods for which EoS has not been studied, such as $\ell_{\infty}$-descent, Block CD, Spectral GD, and their normalized versions. Through experiments on neural networks, we show that non-Euclidean GD with our generalized sharpness also exhibits progressive sharpening followed by oscillations around or above the threshold $2/\eta$. Practically, our framework provides a geometry-aware spectral diagnostic that can be applied across a broad class of non-Euclidean gradient methods.
Authors: Sirui Li, Shuhan Xiao, Mihir Joshi, Ahmed Metwally, Daniel McDuff, Wei Wang, Yuzhe Yang
Abstract: The rise of large language models (LLMs) has shifted time series analysis from narrow analytics to general-purpose reasoning. Yet, existing benchmarks cover only a small set of health time series modalities and tasks, failing to reflect the diverse domains and extensive temporal dependencies inherent in real-world physiological modeling. To bridge these gaps, we introduce HEARTS (Health Reasoning over Time Series), a unified benchmark for evaluating hierarchical reasoning capabilities of LLMs over general health time series. HEARTS integrates 16 real-world datasets across 12 health domains and 20 signal modalities, and defines a comprehensive taxonomy of 110 tasks grouped into four core capabilities: Perception, Inference, Generation, and Deduction. Evaluating 16 state-of-the-art LLMs on more than 20K test samples reveals intriguing findings. First, LLMs substantially underperform specialized models, and their performance is only weakly related to general reasoning scores. Moreover, LLMs often rely on simple heuristics and struggle with multi-step temporal reasoning. Finally, performance declines with increasing temporal complexity, with similar failure modes within model families, indicating that scaling alone is insufficient. By making these gaps measurable, HEARTS provides a standardized testbed and living benchmark for developing next-generation LLM agents capable of reasoning over diverse health signals.
Authors: Dhruman Gupta (Ashoka University), Yashas Shende (Ashoka University), Aritra Das (Ashoka University), Chanda Grover Kamra (Ashoka University), Debayan Gupta (Ashoka University)
Abstract: Subsurface ore detection is of paramount importance given the rising depletion of shallow mineral resources in recent years. It is crucial to explore approaches that go beyond the limitations of traditional geological exploration methods. Due to readily available surface readings, joint magnetic and gravitational inversion is a promising new method - given magnetic and gravitational data on a surface, jointly reconstructing the underlying densities that generate them. However, this is ill-posed and has non-unique solutions. Deterministic methods often require handcrafted priors and converge to a single solution and do not capture the distribution, which is often of interest. We introduce a novel framework that reframes 3D gravity and magnetic joint inversion as a rectified flow on the Noddyverse dataset, the largest physics-based dataset for inversion. We introduce a Ginzburg-Landau (GL) regularizer, a generalized version of the Ising model that aids in ore identification, enabling physics-aware training. We also propose a guidance methodology based on GL theory that can be used as a plug-and-play module with existing unconditional denoisers. Lastly, we also train and release a VAE for the 3D densities, which facilitates downstream work in the field.
Authors: Yeji Kim, Housam Khalifa Bashier Babiker, Mi-Young Kim, Randy Goebel
Abstract: Multimodal Transformers often produce predictions without clarifying how different modalities jointly support a decision. Most existing multimodal explainable AI (MXAI) methods extend unimodal saliency to multimodal backbones, highlighting important tokens or patches within each modality, but they rarely pinpoint which cross-modal feature pairs provide complementary evidence (synergy) or serve as reliable backups (redundancy). We present Feature-level I2MoE (FL-I2MoE), a structured Mixture-of-Experts layer that operates directly on token/patch sequences from frozen pretrained encoders and explicitly separates unique, synergistic, and redundant evidence at the feature level. We further develop an expert-wise explanation pipeline that combines attribution with top-K% masking to assess faithfulness, and we introduce Monte Carlo interaction probes to quantify pairwise behavior: the Shapley Interaction Index (SII) to score synergistic pairs and a redundancy-gap score to capture substitutable (redundant) pairs. Across three benchmarks (MMIMDb, ENRICO, and MMHS150K), FL-I2MoE yields more interactionspecific and concentrated importance patterns than a dense Transformer with the same encoders. Finally, pair-level masking shows that removing pairs ranked by SII or redundancy-gap degrades performance more than masking randomly chosen pairs under the same budget, supporting that the identified interactions are causally relevant. Code is available at https://github.com/dut0817/FL-I2MoE.
Authors: William E. Bishop, Luuk W. Hesselink, Bernhard Englitz, Misha B. Ahrens, James E. Fitzgerald
Abstract: Many disciplines need quantitative models that synthesize experimental data across multiple instances of the same general system. For example, neuroscientists must combine data from the brains of many individual animals to understand the species' brain in general. However, typical machine learning models treat one system instance at a time. Here we introduce a machine learning framework, deep probabilistic model synthesis (DPMS), that leverages system properties auxiliary to the model to combine data across system instances. DPMS specifically uses variational inference to learn a conditional prior distribution and instance-specific posterior distributions over model parameters that respectively tie together the system instances and capture their unique structure. DPMS can synthesize a wide variety of model classes, such as those for regression, classification, and dimensionality reduction, and we demonstrate its ability to improve upon single-instance models on synthetic data and whole-brain neural activity data from larval zebrafish.
Authors: Eran Rosenbluth
Abstract: We define an information-complexity property for aggregation functions, capturing a vast range of practical aggregations, and prove that any Message-Passing Graph Neural Network (MP-GNN) model with such aggregations induces only a polynomial number of equivalence classes on all graphs - while the number of non-isomorphic graphs is super-exponential (in number of vertices). Adding a familiar perspective, we observe that merely 2 iterations of Color Refinement (CR) induce at least an exponential number of equivalence classes, making the aforementioned MP-GNNs relatively infinitely weaker. Previous studies state that sum-aggregation MP-GNNs match full CR however they consider a weak, 'non-uniform', notion of distinguishing-power where each graph size may require a different MP-GNN to distinguish graphs up to that size. Our results concern both distinguishing between non-equivariant vertices and distinguishing between non-isomorphic graphs.
Authors: Dilxat Muhtar, Jiashun Liu, Wei Gao, Weixun Wang, Shaopan Xiong, Ju Huang, Siran Yang, Wenbo Su, Jiamang Wang, Ling Pan, Bo Zheng
Abstract: Reinforcement Learning (RL) has emerged as a powerful paradigm for training LLM-based agents, yet remains limited by low sample efficiency, stemming not only from sparse outcome feedback but also from the agent's inability to leverage prior experience across episodes. While augmenting agents with historical experience offers a promising remedy, existing approaches suffer from a critical weakness: the experience distilled from history is either stored statically or fail to coevolve with the improving actor, causing a progressive misalignment between the experience and the actor's evolving capability that diminishes its utility over the course of training. Inspired by complementary learning systems in neuroscience, we present Complementary RL to achieve seamless co-evolution of an experience extractor and a policy actor within the RL optimization loop. Specifically, the actor is optimized via sparse outcome-based rewards, while the experience extractor is optimized according to whether its distilled experiences demonstrably contribute to the actor's success, thereby evolving its experience management strategy in lockstep with the actor's growing capabilities. Empirically, Complementary RL outperforms outcome-based agentic RL baselines that do not learn from experience, achieving 10% performance improvement in single-task scenarios and exhibits robust scalability in multi-task settings. These results establish Complementary RL as a paradigm for efficient experience-driven agent learning.
Authors: Alexander D. Goldie, Zilin Wang, Adrian Hayler, Deepak Nathani, Edan Toledo, Ken Thampiratwong, Aleksandra Kalisz, Michael Beukman, Hannah Erlebach, Alistair Letcher, Shashank Reddy, Clarisse Wibault, Theo Wolf, Charles O'Neill, Uljad Berdica, Nicholas Roberts, Saeed Rahmani, Roberta Raileanu, Shimon Whiteson, Jakob N. Foerster
Abstract: Automating the development of machine learning algorithms has the potential to unlock new breakthroughs. However, our ability to improve and evaluate algorithm discovery systems has thus far been limited by existing task suites. They suffer from many issues, such as: poor evaluation methodologies; data contamination; and containing saturated or very similar problems. Here, we introduce DiscoGen, a procedural generator of algorithm discovery tasks for machine learning, such as developing optimisers for reinforcement learning or loss functions for image classification. Motivated by the success of procedural generation in reinforcement learning, DiscoGen spans billions of tasks of varying difficulty and complexity from a range of machine learning fields. These tasks are specified by a small number of configuration parameters and can be used to optimise algorithm discovery agents (ADAs). We present DiscoBench, a fixed, small subset of DiscoGen tasks for principled evaluation of ADAs. Finally, we propose a number of ambitious, impactful research directions enabled by DiscoGen, and demonstrate its use for ADA optimisation through scaling experiments for automated prompt tuning. DiscoGen is released open-source at https://github.com/AlexGoldie/discogen.
Authors: Riccardo Saporiti, Fabio Nobile
Abstract: We propose a new Neural Galerkin Normalizing Flow framework to approximate the transition probability density function of a diffusion process by solving the corresponding Fokker-Planck equation with an atomic initial distribution, parametrically with respect to the location of the initial mass. By using Normalizing Flows, we look for the solution as a transformation of the transition probability density function of a reference stochastic process, ensuring that our approximation is structure-preserving and automatically satisfies positivity and mass conservation constraints. By extending Neural Galerkin schemes to the context of Normalizing Flows, we derive a system of ODEs for the time evolution of the Normalizing Flow's parameters. Adaptive sampling routines are used to evaluate the Fokker-Planck residual in meaningful locations, which is of vital importance to address high-dimensional PDEs. Numerical results show that this strategy captures key features of the true solution and enforces the causal relationship between the initial datum and the density function at subsequent times. After completing an offline training phase, online evaluation becomes significantly more cost-effective than solving the PDE from scratch. The proposed method serves as a promising surrogate model, which could be deployed in many-query problems associated with stochastic differential equations, like Bayesian inference, simulation, and diffusion bridge generation.
Authors: Zhangyong Liang, Huanhuan Gao
Abstract: This paper introduces the Stochastic-Dimension Frozen Sampled Neural Network (SD-FSNN), a novel computational framework for solving high-dimensional Gross-Pitaevskii equation (GPE) on unbounded domain. The proposed method circumvents the curse-of-dimensionality that plagues traditional discretizations and the computational bottlenecks of gradient-based neural network solvers through a synergistic combination of techniques. First, a prescribed Gaussian envelope encodes the far-field decay of the wavefunction, enabling a space-time separation where the spatial approximation is handled by a frozen, single-hidden-layer neural network with data-driven sampled features. This yields a gradient-free formalism where spatial derivatives are analytically precomputed and time-dependence is evolved via reduced ODEs. Second, a stochastic-dimension sampler provides a conditionally unbiased estimate of the spatial operator by evaluating only a small subset of spatial dimensions at each time step, essentially reducing computational and memory costs. Discrete conservation laws are also enforced, ensuring long-term stability. Extensive numerical experiments on GPE in up to 1000 dimensions demonstrate that SD-FSNN achieves significantly higher accuracy and efficiency compared to state-of-the-art methods, including PINNs, randomized feature methods, and tensor-network approaches. The results confirm that SD-FSNN effectively mitigates the Kolmogorov $n$-width barrier for frozen-basis models on structured solution manifolds.
Authors: Xiang Gu, Huichun Zhang, Jian Sun
Abstract: Ollivier-Ricci curvature (ORC), defined via the Wasserstein distance that captures rich geometric information, has received growing attention in both theory and applications. However, the high computational cost of Wasserstein distance evaluation has significantly limited the broader practical use of ORC. To alleviate this issue, previous work introduced a computationally efficient lower bound as a proxy for ORC based on 1-hop random walks, but this approach empirically exhibits large gaps from the exact ORC. In this paper, we establish a substantially tighter lower bound for ORC than the existing lower bound, while retaining much lower computational cost than exact ORC computation, with practical speedups of tens of times. Moreover, our bound is not restricted to 1-hop random walks, but also applies to k-hop random walks (k > 1). Experiments on several fundamental graph structures demonstrate the effectiveness of our bound in terms of both approximation accuracy and computational efficiency.
Authors: Xingsheng Chen, Xianpei Mu, Deyu Yi, Yilin Yuan, Xingwei He, Bo Gao, Regina Zhang, Pietro Lio, Siu-Ming Yiu
Abstract: Multivariate time series forecasting is fundamental to numerous domains such as energy, finance, and environmental monitoring, where complex temporal dependencies and cross-variable interactions pose enduring challenges. Existing Transformer-based methods capture temporal correlations through attention mechanisms but suffer from quadratic computational cost, while state-space models like Mamba achieve efficient long-context modeling yet lack explicit temporal pattern recognition. Therefore we introduce UniMamba, a unified spatial-temporal forecasting framework that integrates efficient state-space dynamics with attention-based dependency learning. UniMamba employs a Mamba Variate-Channel Encoding Layer enhanced with FFT-Laplace Transform and TCN to capture global temporal dependencies, and a Spatial Temporal Attention Layer to jointly model inter-variate correlations and temporal evolution. A Feedforward Temporal Dynamics Layer further fuses continuous and discrete contexts for accurate forecasting. Comprehensive experiments on eight public benchmark datasets demonstrate that UniMamba consistently outperforms state-of-the-art forecasting models in both forecasting accuracy and computational efficiency, establishing a scalable and robust solution for long-sequence multivariate time-series prediction.
Authors: Bowen Zheng, Katayun Kamdin, David Shapiro, Alexander Ditter, Dayne Sasaki, Emma Bernard, Roopali Kukreja, Petrus H. Zwart, Slavom\'ir Nem\v{s}\'ak, Apurva Mehta, Nicholas Schwarz, Alexander Hexemer, Tanny Chavez
Abstract: Iterative ptychographic reconstruction algorithms are widely used for coherent diffractive imaging but can exhibit slow convergence under realistic experimental conditions. We propose a machine learning-augmented approach that accelerates iterative ptychographic reconstruction by introducing a learned fast-forward operator applied during reconstruction. Following an initial warm-up using standard iterations, the fast-forward operator advances the reconstruction toward a more converged state, after which conventional iterative updates are resumed. This strategy preserves the physical consistency and flexibility of established ptychographic solvers while reducing the number of iterations required for convergence. The model is trained on diverse ptychographic datasets and evaluated on experimental data acquired in a different year, demonstrating robustness and temporal generalization. Compared with conventional iterative solvers, the machine learning-augmented method achieves comparable reconstruction quality while converging faster in terms of Poisson negative log-likelihood, yielding over a two-fold reduction in wall-clock time. The approach has been integrated into an existing reconstruction pipeline and deployed in production at a synchrotron beamline, demonstrating practicality for real-time experimental operation.
Authors: Sofianos Panagiotis Fotias, Vassilis Gaganis
Abstract: Closed-loop management of geological CO2 storage requires control policies that adapt to uncertain reservoir behavior while relying on observations that are realistically available during operation. This work formulates CO2 injection and brine-production control as a partially observable sequential decision problem and studies deployable deep reinforcement-learning controllers trained with high-fidelity reservoir simulation. We first compare privileged-state, well-only, history-conditioned, masking-curriculum, and asymmetric teacher-student model-free policies in order to quantify the value of temporal well-response information and training-time privileged simulator states. We then evaluate a latent model-based adaptation pipeline that reuses nominal latent dynamics and retunes controllers under known injector failure, leakage-induced dynamics and reward shift, and compartmentalized reservoir connectivity. The results show that history-conditioned policies recover nearly all of the privileged-state performance while using only deployable well-level information, and that latent model-based retuning outperforms direct model-free retuning under the same scenario-specific real-simulator budget in the abnormal operating cases. The proposed framework therefore provides a simulator-budget-aware alternative to repeated online history matching and re-optimization for closed-loop CO2 storage control.
Authors: Arghamitra Talukder, Philippe Chlenski, Itsik Pe'er
Abstract: Learned representations are often invariant to rotational transformations, leaving individual dimensions non-identifiable and interchangeable. We study how Matryoshka Representation Learning (MRL) induces a task-aligned privileged basis distinct from variance-based or regularizer-induced orderings. In the linear setting, we prove that full-prefix MRL recovers the ordered principal directions, and can be computed efficiently using shared statistics. Empirically, we demonstrate that MRL yields consistent per-dimension structure aligned with task signal, where coordinate magnitude reflects informativeness.
Authors: V\'ictor Gallego
Abstract: We present Metal-Sci, a 10-task benchmark of scientific Apple Silicon Metal compute kernels spanning six optimization regimes (stencils, all-pairs in $n$-body problems, multi-field Boltzmann, neighbor-list molecular dynamics, multi-kernel PDE, FFT). Each task ships a CPU reference, a roofline-anchored fitness function, and a held-out generalization size. We pair the benchmark with a lightweight harness for automatic kernel search that runtime-compiles each candidate, scores it against the roofline across multiple sizes, and feeds structured compile and per-size correctness diagnostics back to a frozen LLM driving a $(1{+}1)$ evolutionary loop. We report matched single-model sweeps of Claude Opus 4.7, Gemini 3.1 Pro, and GPT 5.5 on M1 Pro: in-distribution self-speedups span $1.00\times$ to $10.7\times$. Beyond raw speedup, our central methodological claim is structural: the held-out gate scoring function $\Phi_\mathcal{T}$ (evaluated once at end-of-run on a configuration the agent never sees during search) functions as a cheap mechanical oversight primitive on this automatic search loop, catching e.g. an Opus template
Authors: Guiquan Sun, Xikun Zhang, Jingchao Ni, Dongjin Song
Abstract: Continual graph learning (CGL) aims to learn from dynamically evolving graphs while mitigating catastrophic forgetting. Existing CGL approaches typically adopt a task-based formulation, where the data stream is partitioned into a sequence of discrete tasks with pre-defined boundaries. However, such assumptions rarely hold in real-world environments, where data distributions evolve continuously and task identity is often unavailable. To better reflect realistic non-stationary environments, we revisit continual graph learning from a task-free perspective. We propose a unified formulation that models the data stream as a time-varying mixture of latent task distributions, enabling continuous modeling of distribution drift. Based on this formulation, we construct \emph{DRIFT}, a benchmark that spans a spectrum of transition dynamics ranging from hard task switches to smooth distributional drift through a Gaussian parameterization. We evaluate representative continual learning methods under this task-free setting and observe substantial performance degradation compared to traditional task-based protocols. Our findings indicate that many existing approaches implicitly rely on task boundary information and struggle under realistic task-free graph streams. This work highlights the importance of studying continual graph learning under realistic non-stationary conditions and provides a benchmark for future research in this direction. Our code is available at https://github.com/UConn-DSIS/DRIFT.
Authors: Kai Sun, Peibo Duan, Yongsheng Huang, Guowei Zhang, Benjamin Smith, Nanxu Gong, Levin Kuhlmann
Abstract: Spiking neural networks (SNNs), which are brain-inspired and spike-driven, achieve high energy efficiency. However, a performance gap between SNNs and artificial neural networks (ANNs) still remains. Knowledge distillation (KD) is commonly adopted to improve SNN performance, but existing methods typically enforce uniform alignment across all timesteps, either from a teacher network or through inter-temporal self-distillation, implicitly assuming that per-timestep predictions should be treated equally. In practice, SNN predictions vary and evolve over time, and intermediate timesteps need not all be individually correct even when the final aggregated output is correct. Under such conditions, effective distillation should not force every timestep toward the same supervision target, but instead provide corrective guidance to erroneous timesteps while preserving useful temporal dynamics. To address this issue, we propose Selective Alignment Knowledge Distillation (SeAl-KD), which selectively aligns class-level and temporal knowledge by equalizing competing logits at erroneous timesteps and reweighting temporal alignment based on confidence and inter-timestep similarity. Extensive experiments on static image and neuromorphic event-based datasets demonstrate consistent improvements over existing distillation methods. The code is available at https://github.com/KaiSUN1/SeAl
Authors: Xikai Zhang, Yongzhi Li, Likang Xiao, Yingze Zhang, Yanhua Cheng, Quan Chen, Peng Jiang, Wenjun Wu, Liu Liu
Abstract: Reinforcement learning has become a cornerstone for aligning and unlocking the reasoning capabilities of large-scale models. At its core, the training loop of GRPO and its variants alternates between rollout sampling and policy update: the policy first samples rollouts from its action space, and then updates its parameters according to the advantages computed over them. Unlike supervised learning, where each gradient step is anchored to an explicit ground-truth target, the optimal gradient direction for updating model parameters in this setting is not known a priori; the high-quality rollouts drawn during the sampling stage therefore act as the implicit "teacher" that guides every parameter update. However, mainstream RL algorithms such as GRPO adopt a simple sampling scheme that conditions all rollouts on the same original prompt. When a task lies beyond the policy model's current capability, this sampling scheme rarely yields a high-quality rollout, leaving the policy model without a meaningful gradient direction when updating its parameters, which causes training to stall. To address this issue, we propose FBOS-RL. Specifically, we let the model perform Feedback-Guided Exploration Enhancement based on the feedback provided by the environment, and on top of this we design two mutually reinforcing training objectives: EPA and ECC. Extensive experiments demonstrate that EPA and ECC can mutually reinforce each other, forming a positive flywheel effect that significantly improves both the training efficiency and the final performance ceiling of reinforcement learning. Specifically, under both an identical number of rollouts and the same number of training steps, FBOS-RL learns substantially faster than GRPO and feedback-based baselines and ultimately attains a higher performance ceiling, while exhibiting higher policy entropy and lower gradient norms throughout training.
Authors: Mathieu Cherpitel, Thomas B\"ack, Martijn R. Tannemaat, Anna V. Kononova
Abstract: Unsupervised feature selection is commonly formulated as a multiobjective optimisation problem that jointly optimises subset quality and subset size. Yet the behaviour of this formulation depends critically on the choice of evaluation objective, the direction of subset-size regularisation, and the initialisation strategy. We study these factors in a controlled setting using a synthetic dataset with known informative, redundant, and irrelevant feature types. Six formulations are compared by combining three evaluation objectives: accuracy, silhouette score, and PCA reconstruction loss with subset-size minimisation or maximisation. The results show that formulation strongly affects both search dynamics and the quality of the resulting Pareto front. Silhouette-based formulations exhibit a strong bias toward trivial low-cardinality solutions and remain weak proxies for predictive performance. In contrast, the proposed PCA loss objective produces compact subsets with test accuracy comparable to subsets obtained by directly optimising supervised accuracy. Overall, the study shows that objective design is central to effective multiobjective unsupervised feature selection.
Authors: Birgit K\"uhbacher, Daan Crommelin, Niki Kilbertus
Abstract: Weather and climate forecasts are inherently uncertain due to chaotic dynamics, imperfect initial conditions, and incomplete representation of the underlying physical processes. Operational ensemble forecasts aim to represent these uncertainties through forecast spread, yet many approaches yield underdispersive estimates, with spread that grows too slowly relative to forecast error. Using the two-scale Lorenz 1996 system as a widely used, controlled testbed, we design a systematic approach to disentangle intrinsic variability, initial-condition perturbations, and stochastic model uncertainty. We compare multiple ensemble configurations and parameterization strategies, including existing deterministic and autoregressive as well as novel Bayesian and flow-based approaches. Our results show that ensemble perturbations do not increase the system's long-term variance; rather, they regulate how rapidly trajectories decorrelate and explore the invariant measure. Stochastic parameterizations, particularly those with temporally persistent structure, enhance early spread growth and improve spread-error consistency. Overall, we bring clarity to how different sources of uncertainty interact in a chaotic system and provide guidance for the design and evaluation of stochastic parameterizations in weather and climate models.
Authors: Zeqiang Xian, Caihui Liu, Yong Zhang, Wenjing Qiu
Abstract: Spectral clustering largely depends on the affinity graph, yet constructing a graph that preserves reliable local connectivity while adapting to heterogeneous data structures remains challenging. Existing granular-ball-based spectral clustering methods usually reduce graph complexity by using coarse-grained representatives. However, the learned local regions are often treated as graph nodes or anchors, and their structural information is not sufficiently used to regularize the original sample-level graph. To address this issue, this paper proposes a Minimum Description Length based Granular-Ball Tree-Regularized Spectral Clustering method, termed MDL-GBTRSC. The proposed method constructs a granular-ball tree through local MDL model selection, with reciprocal neighborhood continuity used to discourage splits that break reliable local connections. The stable leaf balls obtained from the tree provide coding-scale information for regularizing the sample-level affinity graph. In addition, a shared-neighbor bridge code is introduced to adjust weak local bridge relations without requiring an additional user-specified threshold. In this way, MDL-GBTRSC connects interpretable local representation learning with affinity graph construction in a unified spectral clustering framework. Experiments on real and synthetic datasets show that MDL-GBTRSC achieves the best average ARI and NMI under the adopted fixed-configuration protocol compared with classical spectral clustering baselines and representative granular-ball, micro-cluster, and anchor-based methods.
Authors: Boxiao Wang, Kai Li, Zhiwei Chen, Yang Huang, Runxiang Wang, Ziwen Zhang, Yifan Zhang, Jian Cheng
Abstract: Symbolic Regression (SR) plays a central role in scientific knowledge discovery by distilling mathematical equations from observational data. Most existing SR methods function within a bi-level optimization framework: an outer loop that searches for the discrete equation structure, and an inner loop that optimizes the continuous parameters of that structure. Crucially, parameter-fitting quality directly determines a structure's score and thus the outer-loop search. However, nonlinear operators make the inner loop highly non-convex, and budget-driven reliance on fast local solvers (e.g., BFGS) often yields poor local minima and underestimated scores for correct structures. This ``Good Structure, Bad Score'' phenomenon becomes a key bottleneck, degrading efficiency and misguiding the search away from the true equation. To resolve this, we propose SAGE-Fit (Structure-Aware and Semantics-Guided Evaluator for Symbolic Regression), an SR-native fitting framework that exploits the dual native priors of symbolic expressions. By capitalizing on the structural and semantic priors unique to SR, we design tailored modules for each property, thereby effectively mitigating this optimization bottleneck. Extensive experiments demonstrate that our approach, as a plug-and-play module, significantly enhances evaluation fidelity and universally improves the performance of various SR systems.
Authors: Xian Wu, Haoran Li, Yuanqi Chu, Dongbin Zhao, Bin Wang
Abstract: Scan-order design in laser directed energy deposition (LDED) is a delayed, path-dependent thermo-mechanical decision problem, because sequence quality becomes observable only after the complete deposition and cooling cycle. This work formulates LDED scan-order optimisation as a finite-horizon, permutation-constrained reinforcement-learning problem and develops a bilevel finite-element-teacher-labelled AI workflow. A surrogate-assisted teacher-guided optimisation loop learns the Abaqus-labelled response landscape and provides a tractable terminal-reward environment for policy training. A frozen Maskable Proximal Policy Optimization (MaskablePPO) policy is then used to generate legal scan-order candidates, which are independently validated through Abaqus thermo-mechanical simulations. The results show bounded, N-dependent policy-generation value rather than record-level dominance over the mature surrogate-assisted optimiser. The strongest scan orders are obtained by the teacher-guided surrogate loop, whereas PPO autonomously reaches competitive regions of the native response landscape, with stronger rank concentration at smaller track counts and a clear reliability boundary at longer horizons. The teacher-labelled landscape further supports a physically gated lexicographic reward hierarchy in which warpage admissibility is the primary constraint, plastic strain acts as a safety filter and residual-stress-related improvement is pursued conditionally within the admissible region. Validated sequences also reveal an interpretable scale-separated ordering tendency that combines global spatial dispersion with local structured grouping. This workflow provides a route from fixed scan-rule selection toward finite-element-teacher-validated policy generation, while preserving independent finite-element validation as the final physical gate.
Authors: Barsat Khadka
Abstract: Mechanistic interpretability seeks to explain a model's behaviour by finding its circuit: the sparse subgraph of the model's computation that is causally responsible for it. Automated methods have made this search systematic, but each one starts afresh for every behaviour, and the effort spent finding one circuit does nothing for the next. Circuit discovery has thus been automated, but not amortised. We ask whether circuit discovery can itself be learned. We frame it as a sequential decision problem over the computation graph of GPT-2 small, in which a policy removes edges until it reaches a compact subgraph that preserves the behaviour, guided by a faithfulness reward defined through causal intervention. A single policy trained across twelve behaviours recovers a faithful circuit for each, and once frozen it transfers to behaviours it never saw during training, recovering their known circuits without further search. A short warm-start improves these transferred circuits, returning far smaller ones than training from scratch. While the learned policy does not match a per-behaviour search on circuit size or cost, it shows that circuit discovery is a learnable, transferable procedure rather than a search repeated for every behaviour.
Authors: Zhong Zhang, Giacomo Acciarini, Dario Izzo, Hexi Baoyin, Francesco Topputo
Abstract: Low-thrust trajectory design relies heavily on repeated evaluations of fuel consumption and transfer feasibility, which require expensive optimal control solutions. In this work, we show these quantities can be accurately approximated by machine learning surrogates, enabling fast and scalable evaluation across a wide range of scenarios. By increasing both dataset size and model capacity, we observe that low-thrust trajectory optimization follows a scaling law, with performance improving linearly with the logarithm of training data and network parameters, and no evidence of saturation within the explored regime. Guided by this observation, we construct a large-scale dataset using the proposed homotopy-ray strategy tailored to mission design requirements. A key is the introduction of a self-similar transformation, which allows generalization across semi-major axes, inclinations, and central bodies avoiding retraining. As a result, the same neural approximator can be applied to diverse orbital environments and mission classes. The proposed models accurately predict optimal fuel consumption and minimum transfer time for single- and multi-revolution transfers. Their performance and generalization are demonstrated on a public dataset, a multi-asteroid flyby problem from the Global Trajectory Optimization Competition, and an asteroid rendezvous mission design. The models and datasets are released as open-source to support the space community.
Authors: Aalok Patwa
Abstract: Imperfect-information multiplayer games test whether agents can act under hidden information, sparse rewards, and non-stationary opponents. We study these challenges in Big 2, a four-player imperfect-information card game. We develop a self-play RL framework for Big 2 that enables controlled comparisons between policy-gradient and value-approximating agents. Under a common environment, input representation, training budget, and evaluation protocol, PPO outperforms Monte Carlo Q approximation, SARSA, and Q-learning against random, greedy, and heuristic Big 2 opponents. We further find that moderate entropy regularization improves PPO by preventing the policy from becoming overly deterministic, and that current-policy self-play provides a stronger finite-budget curriculum than checkpoint self-play or fixed-opponent training. Together, these results show that Big 2 is a useful controlled setting for studying deep RL under imperfect information, multiplayer interaction, delayed rewards, and variable action sets.
Authors: Christoph Dann, Yishay Mansour, Mehryar Mohri
Abstract: Model-based reinforcement learning (MBRL) agents typically learn world models by minimizing predictive loss. However, powerful RL optimizers inevitably exploit minor model inaccuracies, leading to simulator exploitation and a reality gap where policies succeed in simulation but fail in the real world. We propose that the objective for learning simulators should be strategic robustness rather than predictive accuracy, and formulate this as a zero-sum minimax game between a model player and an adversarial policy player. We provide a comprehensive theoretical analysis: (1) an online learning guarantee showing the game is learnable with sublinear regret bounds; (2) a tractable critic-based simplification bounding the global policy-value gap by the local critic's loss; and (3) an Error-MDP duality, proving that finding the worst-case policy is formally dual to a standard RL problem where the reward is the one-step critic error. This duality yields a provably convergent active data selection algorithm. Experiments on continuous control tasks demonstrate that our approach reduces prediction error in strategically important regions by $1.5$-$2.2\times$ and enables policies trained purely in simulation to match near-optimal real-world performance.
Authors: Liulu He, XuanAng Liu, Juntao Liu, Taolue Feng, Ting Lu, Chunsheng Gan, Zhiyv Peng, Yuan Du, Huanrui Yang, Yijiang Liu, Li Du
Abstract: Existing quantization methods are fundamentally limited by rigid, integer-based bit-widths (e.g., 2, 3-bit), resulting in a ``deployment gap" where Large Language Models cannot be optimally fitted to specific memory budgets. To bridge this gap, we introduce LiftQuant, a novel framework that enables continuous bit-width control for true Pareto-optimal deployment. The core innovation is a ``lift-then-project" mechanism which approximates low-dimensional weight vectors by projecting a simple 1-bit lattice from a higher-dimensional ``lifted" space. Crucially, the effective bit-width is determined simply by the ratio of the lifted dimension to the original dimension, which allows the bit-width to be tuned quasi-continuous as the dimension is a flexible structural parameter. This projection generates a structured yet non-uniform codebook, capturing the expressive power of Vector Quantization (VQ). While beneficial over VQ, LiftQuant's decoding path relies solely on linear transformations and 1-bit uniform quantizers, retaining hardware-friendly nature. This flexibility is transformative: LiftQuant enables a 70B LLM to be compressed to 2.4 bits to precisely fit a 24GB GPU, where its performance significantly surpasses state-of-the-art 2-bit models fitted on the same device. Our code and ckpt is available at https://github.com/Heliulu/LiftQuant.
Authors: Huzaifa Shaaban Kabakibo, Animesh Trivedi, Lin Wang
Abstract: As scalable inference services become popular, the cold start latency of an inference engine becomes important. Today, vLLM has evolved into the de-facto inference engine of choice for many inference workloads. Although popular, due to its complexity and rapid evolution, there has not been a systematic study on the startup latency of its engine. With major architectural innovations under it (e.g., the V1 API, introduction of torch.compile), in this paper, we present the first detailed performance characterization of vLLM startup latency. We break down the startup process into six foundational steps and demonstrate that this process is predominantly CPU-bound. Each step exhibits consistent and interpretable scaling trends with respect to model- and system-level parameters, enabling fine-grained attribution of latency sources. Building on these insights, we develop a lightweight analytical model that accurately predicts vLLM's startup latency for a given hardware configuration, providing actionable guidance for resource planning in large-scale inference environments. All our benchmarking datasets, analysis tools, and prediction scripts are open-sourced at https://github.com/upb-cn/vllm-startup-profiler
Authors: Samhita Pal, Tian Gu
Abstract: Modern data-driven applications increasingly involve learning from multiple heterogeneous sources, where a target dataset is limited but related information is available across domains. Naively combining these sources can degrade performance when relevance varies or spurious signals are present, posing a fundamental challenge for trustworthy cross-domain learning. We propose Projection Transfer Learning (ProjectionTL), a unified framework that integrates hierarchical Bayesian modeling with adaptive projection for selective knowledge transfer. The key idea is to decouple transfer at two levels: first, we construct a source-guided hierarchical prior that aggregates information across sources using data-driven weights, capturing global alignment between each source and the target; second, we refine this borrowing through a posterior-projection step that operates at the feature level, selectively retaining coordinates that exhibit local agreement with the target signal. This two-stage design enables the method to simultaneously perform source selection and feature selection, thereby mitigating negative transfer while preserving interpretability. ProjectionTL provides a principled approach to integrating heterogeneous data across domains, bridging statistical modeling and modern machine learning paradigms for robust and interpretable transfer. Through simulations and real-world biomedical applications, we demonstrate improved accuracy, stability, and interpretability compared to existing methods. Our framework offers a scalable and generalizable strategy for trustworthy cross-domain learning in high-dimensional settings.
Authors: Bowen Ping, Xiangxin Zhou, Penghui Qi, Minnan Luo, Liefeng Bo, Tianyu Pang
Abstract: Recent work has demonstrated that online reinforcement learning (RL) can substantially improve the quality and alignment of flow matching models for image and video generation. Methods such as Flow-GRPO and CPS cast the denoising process as a Markov Decision Process and apply PPO-style ratio clipping to enforce a trust region. However, we argue that ratio clipping is structurally ill-suited for flow models: the probability ratio between new and old policies is a noisy, single-sample estimate of the true policy divergence, leading to over-constraining in some regions of the trajectory and under-constraining in others. We propose Flow-DPPO (Flow Divergence Proximal Policy Optimization), which replaces ratio clipping with a divergence proximal constraint. A key observation is that the per-step policy in flow models is Gaussian, enabling exact and cheap computation of the KL divergence between old and new policies. Flow-DPPO employs an asymmetric divergence mask that blocks gradient updates only when they simultaneously move away from the trusted region and violate the divergence threshold. Experiments show that Flow-DPPO achieves higher rewards with better KL-proximal efficiency, alleviates catastrophic forgetting, promotes balanced multi-objective optimization, and enables stable multi-epoch training where ratio clipping degrades. Code and models are available at https://github.com/Tencent-Hunyuan/UniRL/tree/main/FlowDPPO.
URLs: https://github.com/Tencent-Hunyuan/UniRL/tree/main/FlowDPPO.
Authors: Uwe K\"onig, Hamza Kazmi, Ruizhe Li, Maheep Chaudhary
Abstract: Distillation of a language model intended to transfer benign behavior to a student model may also transfer undesirable characteristics, if they are present in the teacher model, a phenomenon known as subliminal learning. While qualitative evidence supports the existence of this effect, its magnitude has not been systematically characterized. This study quantifies subliminal behavioral transfer ratios by steering two teacher models (Llama-2-7B-Chat and Qwen2.5-7B-Instruct) at varying steering strengths and distilling student models using only benign data. Evaluation on 100 JailbreakBench prompts with GPT-4.1, serving as the evaluator, indicates that transfer is robust but exhibits distinct scaling behaviors. Llama-2 demonstrates a sharp threshold ($\tau = {0.25,0.32} \ \text{beyond} \ \alpha = -0.15$), whereas Qwen2.5 displays continuous and higher levels of transfer ($\tau$ up to $0.61$).
Authors: Yufeng Xu, Taiming Lu, Kunjun Li, Jiachen Zhu, Mingjie Sun, Zhuang Liu
Abstract: Pruning promises a shortcut to strong small language models. In this work, we examine this promise by pruning Llama-3.1-8B at pruning ratios of 0.5--0.8 with six methods spanning depth, width, and sparse granularities, under two controlled token-matched settings. (1) With the same training token budget, pruned initialization consistently outperforms random initialization. This shows that the parent model provides a strong starting point, although the advantage narrows as the training token budget grows and as the pruning ratio rises, nearly vanishing at the highest pruning ratio we study. (2) When training from scratch is instead given the full token budget consumed by the whole pipeline, pruning at finer granularities still retains an advantage, while coarser structured pruning can be matched or surpassed. This suggests that the parent model transfers knowledge that additional training tokens alone cannot fully recover, but only at fine granularity. Taken together, our results yield a clear recommendation: with a large pretrained model in hand and a limited training token budget, pruning is better than training from scratch; when the training budget is not limited, training from scratch can be competitive for coarser pruning, so a large pretrained parent is not always necessary.
Authors: Guanyu Liu, Weiyi Kong, Zeyu Wang, Boer Zhang, Baiqing Li, Peiyu Zhang, Tianyu Shi
Abstract: Granting LLMs direct control over costly, irreversible scientific experiments leads to unsafe exploration and unstable performance, but discarding LLM creativity entirely sacrifices significant optimization potential. We introduce CARE (Controlling LLM-Generated Policies through Auditable Review of Evidence in Scientific Experimentation), an auditable controller for high-throughput experimentation (HTE) optimization that keeps a non-LLM incumbent optimizer as the default action path while using LLMs to revise challenger ranking policies. Before each outcome is revealed, a public-evidence intervention gate compares the challenger with the incumbent. It authorizes the challenger's selection only when the evidence available before selection supports the change, with the decision recorded in the audit log. CARE outperforms all other evaluated methods on Minerva/Olympus and ChemLex benchmarks, with final-best improving from 80.0 to 88.5 on Minerva/Olympus and from 83.9 to 92.1 on ChemLex, relative to the public incumbent. Our experiments indicate that LLM self-evolution is more reliable when it expands the proposal space under an auditable controller, rather than directly choosing experiments.
Authors: Baijia Zhang, Yining Huang
Abstract: Knowledge editing systems must update selected facts while preserving nearby but irrelevant behavior. This paper studies this problem in a memory-assisted setting where an edit memory is retrieved at inference time and a parameter-efficient adapter corrects the model's object preference. We argue that the central design question is not only how to write an edit, but also when to suppress it. We introduce RRDA, a route-specialized dual-adapter editor. A relevance router first decides whether a prompt should receive an edit memory. Routed prompts use an edit adapter trained to prefer the new object over the original object; unrouted non-direct prompts use a separate locality adapter trained to preserve or restore the original-object preference. We evaluate RRDA on three 1,000-case protocols, CounterFact, ZsRE, and MQuAKE-CF, under the same memory protocol and two 7B/8B base models. On Llama-3.1-8B-Instruct, RRDA obtains the best overall probability-preference accuracy on all three benchmarks: 0.8180 on CounterFact, 0.8946 on ZsRE, and 0.9922 on MQuAKE-CF. The same trend holds on Qwen3-8B. Router ablations show that the relevant memory boundary differs across datasets: a lexical neural router is safest on CounterFact, while BGE embedding routing is better on ZsRE and MQuAKE-CF. Memory, component, and module ablations show that explicit memory supplies the largest edit gain, while route-specialized adapters improve the final reliability-locality balance rather than simply increasing LoRA capacity.
Authors: Yang Yu, Shiyuan Zhang, Yifei Sheng, Haoxiang Ren, Haoxin Lin
Abstract: World models have become a central abstraction in modern AI. The term now refers to several different objects: action-conditioned environment models, latent imagination models, future-video predictors, interactive neural simulators, latent predictive representations, and synthetic-data engines. Evaluation has broadened along with the term. Recent papers measure video realism, perceptual similarity, instruction following, physical plausibility, policy ranking, executability, planning success, and downstream policy improvement. This produces both metric diversity and a recurring problem of claim/evidence mismatch: papers sometimes make a stronger claim about what their model is useful for than their evaluation can establish. This paper surveys the recent literature and argues that, for models presented as world models for embodied decision-making, the more decisive issue is not whether the model generates visually convincing videos, but whether it supports reliable interventional reasoning, policy evaluation, planning, and policy optimization under intervention, policy-induced distribution shift, and long-horizon rollout. We organize the survey using an L0--L7 ladder spanning visual plausibility to policy optimization utility, noting that the levels cut across several orthogonal axes and so form an evidential hierarchy rather than a single scalar. The framework foregrounds interventional action fidelity, closed-loop rollout validity, reward/value prediction, policy-ranking agreement, optimization lift, model exploitability, and uncertainty calibration, with a minimal feasible reporting set for real-robot settings.
Authors: Yujin Park, Haejun Chung, Ikbeom Jang
Abstract: Pairwise comparison is the gold standard for subjective ranking tasks; however, exhaustive annotation requires a massive number of human comparisons ($O(n^2)$). While sorting-based methods have reduced this burden to $O(n\log n)$, they still require expensive human judgment for every single comparison. To further improve annotation efficiency, we propose leveraging a Vision-Language Model (VLM) not as an annotator replacement, but as a \emph{question prioritizer} to identify which comparisons genuinely require human judgment. The proposed \textbf{Surprise-Guided MergeSort (SGS)} framework achieves this through three integrated components: (1) a bottom-up MergeSort scheduler that structures comparisons and exploits transitivity, (2) a composite Surprise Scorer -- combining position-bias-cancelled VLM confidence, Elo gap, and vote entropy -- to quantify comparison ambiguity, and (3) an adaptive budget allocator that routes high-surprise pairs to humans while automating low-surprise pairs via transitivity inference. Validation was conducted on six diverse benchmarks spanning text similarity (STS-B, BIOSSES, SICKR-STS) and image quality assessment (KonIQ-10k, TID2013, LIVE Challenge). SGS effectively identified and skipped up to 535 non-informative comparisons per session. Consequently, it achieved Kendall's $\tau{\times}100$ improvements of $+6$ to $+12$ over Active Elo under the same total budget. These results demonstrate that combining VLM-guided surprise metrics with algorithmic sorting provides a generally consistent accuracy-efficiency trade-off across diverse domains.
Authors: Soham Bhattacharjee, Dushyant Singh Chauhan, Salem Lahlou, Martin Takac, Nils Lukas
Abstract: Inference-time scaling has become the dominant lever for improving language-model reasoning, but existing methods derive rollout diversity from a single source: stochastic token-level sampling. We argue that this single-axis sampling space is fundamentally limiting, and identify a second, fully deterministic and complementary axis: the layer span $L$ at which a frozen model's top decoder layers are recursively re-applied at high-uncertainty tokens. Different choices of $L$ produce distinct rollouts that solve different subsets of problems, with no stochasticity. We instantiate this axis through Entropy-Gated Latent Recursion (EGLR), a training-free decoding procedure that re-applies the top-$L$ layers for at most $K_{\max}$ iterations until the next-token distribution converges. Combined with $T$ temperature samples, EGLR turns a single-axis stochastic rollout pool into an $L\times T$ Cartesian sampling space at almost the same per-rollout cost. We characterize this space across $8$ instruction-tuned models and $6$ math reasoning benchmarks, and show that the $L$-axis is genuinely complementary to temperature: on MATH-500 with Qwen2.5-3B-Instruct, the joint $L\times T$ oracle reaches $91.6\%$, $+8.2$ percentage points beyond the temperature-only oracle ($83.4\%$) and $+10.4$ points beyond the layer-only oracle ($81.2\%$), confirming that the two axes capture genuinely complementary problems. The expanded rollout pool provides richer per-prompt candidates for any downstream procedure that consumes rollouts, including self-consistency, best-of-$N$ with verifiers, and group-relative RL training (GRPO), opening a new direction for inference-time scaling that does not rely on stochastic noise.
Authors: Jisung Hwang, Yunhong Min, Jaihoon Kim, I-Chao Shen, Minhyuk Sung
Abstract: We introduce the Noise-Tilted Reverse Kernel (NTRK), a reward-guided diffusion sampler that injects reward gradients through the noise term, leaving the pretrained reverse kernel unchanged and requiring only a single sample per step. Reward-guided sampling at inference time has greatly expanded the versatility of pretrained diffusion models. Yet existing methods face a trade-off. Gradient-based guidance shifts the reverse mean, steering generation but pushing intermediate states outside the region that the model was trained on and degrading quality. Search-based methods preserve quality but gain no gradient signal. No prior method achieves both. NTRK resolves this by keeping the reverse mean fixed and biasing the noise term toward high reward. This is enabled by a whitening operator, the central mechanism behind NTRK, which converts reward gradients into noise-compatible perturbations without losing their guiding signal. Across various reward alignment tasks, NTRK outperforms recent state-of-the-art baselines without losing sample quality. Remarkably, on aesthetic generation, NTRK surpasses the reward of the best baseline at 500 NFEs using only 25 NFEs, a 20 times reduction in compute.
Authors: Amiri Hayes, Belinda Z Li, Jacob Andreas
Abstract: A longstanding goal of research on interpretable deep learning is to replace opaque neural computations with human-meaningful symbolic descriptions. In this paper, we propose an approach for approximating the behavior of components of deep networks with executable programs. We focus on attention heads in transformer language models. For a given head, we first compute its associated attention matrices on a collection of randomly selected training examples. Next, we prompt a pre-trained language model with a summary of these matrices, and instruct it to generate a set of Python programs that can reproduce the associated attention patterns given only text from the input sentence. Finally, we re-rank programs according to how well our final set of programs predict behavior on held-out inputs. We demonstrate that a set of fewer than 1,000 such generated programs can reproduce the attention patterns of heads in GPT-2, TinyLlama-1.1B, and Llama-3B, achieving an average Intersection-over-Union similarity above 75% on TinyStories. Moreover, the best-fit programs can replace neural attention heads without substantially affecting model behavior: replacing 25% of attention heads with programmatic surrogates across the three models incurs only a 16% average perplexity increase, while maintaining performance on a variety of downstream question answering benchmarks. This work contributes a scalable pipeline for reverse-engineering attention heads in transformer models using human-readable, executable code, advancing a path toward symbolic transparency in neural models.
Authors: Juntian Huang, Jurgen Kurths, Ying Tang
Abstract: Reservoir computing offers a lightweight framework for forecasting dynamical systems but may struggle to capture long-range dependencies due to limited representational capacity. Conventional reservoir computing recurrently uses trainable reservoirs with hyperparameter sensitivity, while the next-generation reservoir computing removes recurrence at the cost of rapidly growing feature dimensions. Here, we develop Kolmogorov-Arnold Reservoir Computing (KARC), which replaces reservoirs with explicit basis-function expansions inspired by the Kolmogorov-Arnold representation theorem. We rigorously show that KARC is a lightweight design of Kolmogorov-Arnold networks (KANs), preserving the potential expressive capacity of KANs while admitting efficient closed-form training of reservoir computing. At comparable cost, KARC outperforms existing reservoir computing methods on challenging benchmarks including partial differential equations. It can also be integrated with generative diffusion models for text-to-image generation. This work thus establishes a principled bridge between reservoir computing and KANs, enabling efficient and high-fidelity dynamical system forecasting.
Authors: Borui Cai, Yao Zhao
Abstract: Existing sequence models, including RNNs, LSTMs, continuous-time networks, and Transformers, share a common structural principle: layer-wise dynamics, where all neurons in the same layer co-evolve through a shared parameterized operator, leaving individual neurons no freedom to evolve independently. Yet in many complex dynamical systems, rich global behavior emerges precisely from locally evolving units interacting through structured connectivity. Inspired by this principle, we introduce Topological Neural Dynamics (TND), a sequence modeling framework that shifts computation from layer-wise to neuron-wise dynamics. TND represents a neural system as a directed neuron graph, an interaction operator, and a local dynamics function, where each neuron evolves independently and collective computation emerges from interactions through the explicit graph topology. We instantiate TND as a discrete-time graph-coupled dynamical system and evaluate it as a case study on a behavior cloning task in single-player Pong. Compared with Vanilla RNN, Sparse RNN, LSTM, Closed-form continuous-time neural network (CfC), and Transformer baselines, TND achieves the best catch rate and a mean of 17.47 consecutive catches per round, more than three times that of the strongest baseline. These results suggest that shifting from layer-wise to neuron-wise dynamics provides an effective inductive bias for sequence modeling.
Authors: Laurent Caraffa
Abstract: A finite agent, a machine's digital twin or any bounded reasoner, infers a fixed and noisy world through finite sensors, so its coherent output is a belief: a probability density over states (the Bayes posterior). Such an agent stops short of certainty, and revising a belief carries a cost. We propose an axiomatic framework for transport-based belief costs, motivated by these facts. We pose two postulates. P0 (the arena): a revision cost is a scalar price on optimal transport, so beliefs live in Wasserstein space. P1 (uniform pricing): one nat of knowledge costs the same metric length everywhere, the eikonal condition. Among conceivable pricing rules we study this one. Under P0 and P1 the cost metric is optimal transport conformally reweighted by Fisher information, $\tilde g_{e,U}=2(e+U)\,g_{W_2}$, and the Fisher family is a characterization: among continuous reliefs, uniform pricing is equivalent to $U=cJ$. Two consequences follow on the conformal class. Certainty sits at infinite cost-distance once the relief dominates the Fisher information, so a well-posed inference has a cost floor diverging at certainty (necessity conjectural beyond power laws). On location-scale leaves the geometry is hyperbolic, and the Stam bound places the Gaussian as the most curved one (at $e=0$). The results are geometric, in nats. Via Landauer (one nat worth $k_BT$) the cost floor becomes an energy floor: revising toward certainty would demand unbounded energy. Physics anchors the unit and enters no theorem. Removing either postulate leaves the selection open.
Authors: Samat Zharassov
Abstract: Standard autoregressive Transformer decoders can often exhibit substantial forgetting under sequential fine-tuning on shifting curriculum distributions. This technical report evaluates SamatNext v0.2-B, an experimental 356M-parameter hybrid sequence decoder that alternates Differential-Attention-style layers with DeltaNet-inspired simplified linear-state mixer layers using RMS normalization and output scale calibration. We study the model under a controlled staged Python code curriculum and compare it with a parameter-matched Transformer baseline. In this setting, SamatNext v0.2-B achieves a 100.0% pass rate on the controlled Stage 5 holdout while retaining 98.8% of adjacent Stage 3 semantic behavior and reaching 12.0% on the Stage 2E early syntax holdout. The strongest Transformer baseline reaches 97.6% on Stage 5 but retains only 6.0% of Stage 3 behavior. Both architectures remain weak on long-horizon early-stage retention, so the result should be interpreted as evidence of an altered retention/plasticity tradeoff in this controlled setting, not as a general solution to catastrophic forgetting. Code, model specifications, evaluation scripts, and result tables are provided for independent verification.
Authors: Zixin Ding, Shaghayegh Emami, Giovanna Salvi, Cecilia Tosciri, Abhijith Gandrakota, Jennifer Ngadiuba, Nhan Tran, Christian Herwig, David W. Miller, Yuxin Chen
Abstract: High-throughput scientific facilities such as the Large Hadron Collider depend on real-time event filtering (\textit{triggering}) under tight constraints on bandwidth, latency, and storage. In practice, trigger menus are largely static and hand-tuned and can become suboptimal as detector conditions, pileup, and background composition drift over time. We cast online threshold tuning as a sequential decision-making problem: a reinforcement learning agent ingests streaming summaries of recent rates and signal-sensitive features and updates trigger thresholds to maximize signal efficiency while tracking a target background rate within a tolerance band. We adapt Group-Filtered Policy Optimization (GFPO) to streaming control and introduce two variants (GFPO-F, GFPO-FR) that enforce background rate feasibility during training. On a benchmark that emulates realistic collider operation, we study two representative triggers: a total transverse energy ($H_{T}$) trigger sensitive to pileup variation, and an anomaly-detection (AD) trigger based on reconstruction loss for rare or non-standard signatures. On Monte Carlo streams, our agent increases the fraction of in-tolerance time intervals by 48\% ($H_T$) and 28\% (AD), with a cumulative gain of up to 2\% in signal efficiency on those in-tolerance intervals. Transferring from simulation to \emph{real} collision data (CMS Run 283408), the same agent, without fine-tuning, achieves a 56\% ($H_T$) and 28\% (AD) in-tolerance improvement over baselines, with further signal-efficiency gain on both triggers. To our knowledge, this is the \emph{first} demonstration of RL-based trigger control on real Large Hadron Collider collision data. Code is available at https://github.com/Zixind/GFPO_LHC (see repo for details).
Authors: Habibullah Akbar
Abstract: Modern large language models based on softmax scaled-dot-product attention are constrained by their training sequence length: as the key-value sequence grows, softmax probability mass can dilute across a wider distribution, inducing activation shift and long-context performance collapse. Moreover, long-context language modeling faces a structural tension: a sliding-window attention core maintains a bounded local representation and low perplexity but is blind to long-range dependencies, while full-context attention preserves global recall but suffers from out-of-distribution perplexity explosion. To resolve these limitations, we introduce ATMA, a hybrid convolutional-attention architecture that integrates a novel three-channel attention mechanism. ATMA factorizes the attention mixing step into: (1) a count-blind, unit-vector direction channel, (2) a bounded magnitude channel driven by the participation ratio of effective matches over an extreme-value-corrected null sink, and (3) a long-term recurrent compression memory optimized via a gated-delta fast-weights rule. Neither the Polar Attention core nor the recurrent memory is sufficient alone; their combination enables monotonic perplexity reduction and high-fidelity long-range retrieval simultaneously. We evaluate ATMA using a 120-run factorial ablation sweep, demonstrating that the combined Polar + memory model maintains induction needle-in-a-haystack retrieval accuracy above 90% out to 64K tokens (32 times the training length of 2K) while its document perplexity improves monotonically, outperforming softmax-based memory baselines which collapse at extreme context lengths. Code: https://github.com/kreasof-ai/atma
Authors: Alex Iacob, Andrej Jovanovi\'c, William F. Shen, Daniel Burkhardt, Meghdad Kurmanji, Nurbek Tastan, Lorenzo Sani, Niccol\`o Alberto Elia Venanzi, Ambroise Odonnat, Zeyu Cao, Bill Marino, Xinchi Qiu, Nicholas D. Lane
Abstract: Self-improving agents are state-of-the-art (SOTA) on agentic coding benchmarks and have recently been extended to general domains. However, their search methods generally assume a stationary evaluation criterion: a fixed verifier, benchmark, or labeled dataset that remains valid as the agent improves. This ignores a central feature of evolution: species adapt as their environments change with them. We aim to bring the same principle to recursive self-improvement, making evaluation part of the improvement loop and opening search to evolving evaluators, adversarial objectives, and dynamic utilities that may surpass static benchmarks. We introduce the Red Queen Godel Machine (RQGM), an evolutionary framework for recursive self-improvement under non-stationary utilities. The RQGM makes this possible through controlled utility evolution: search is organized into epochs with a fixed within-epoch evaluation criterion, while the utility can be updated at epoch boundaries, so self-improvement guarantees hold per epoch as the objective evolves across them. We begin by showing that even on verifiable coding tasks, the RQGM improves test pass rate over the prior SOTA by adding a complementary agent-as-a-judge code-review signal. This signal is cheaper and the RQGM uses 1.35x-1.72x fewer tokens. We then turn to scientific paper writing and reviewing, and Olympiad-level proof writing and grading, where the RQGM improves performance over prior self-improving agents: co-evolved writers reach 1.78x-1.86x higher acceptance rates under a diverse agent-as-a-judge panel, while co-evolved graders reach 9% higher ground-truth accuracy. In paper reviewing, the strongest baseline reviewer over-accepts AI-generated papers at up to 1.91x the human rate. The RQGM corrects this by introducing an adversarial objective that discovers reviewers equally stringent on AI and human work.
Authors: Aneesh Muppidi, Firas Darwish, Dylan Cope, Jo\~ao F. Henriques, Jakob Nicolaus Foerster
Abstract: Deliberating takes time. In real-time settings, that time is not free. Standard reinforcement learning (RL) sidesteps this as the environment waits indefinitely for the agent's decision. Instead, we study real-time RL environments where the environment progresses while waiting for the agent's action. Building on prior real-time formalizations, we introduce variable-delay real-time RL, where the agent chooses how long to deliberate at each decision point since the environment progresses. For the planning agents we use, the right delay is state-dependent, and naively planning how long to plan can paralyze the agent. We instead approach this setting by training a lightweight gating policy on top of a planner to select state-dependent planning budgets. Across real-time Pac-Man, Tetris, Snake, Speed Hex, and Speed Go, our gating policy outperforms fixed-budget and heuristic baselines, and transfers to a real-time setup where the environment and agent run on two different GPUs.
Authors: Steven Kolawole, Virginia Smith
Abstract: As reasoning models emit chains of thought tens of thousands of tokens long, KV cache increasingly becomes a deployment bottleneck. Existing cache eviction methods rank tokens by attention weight, which is a noisy importance proxy in long reasoning traces, and prohibits the use of fused kernels in production inference by forcing the model to materialize the attention matrix. In this work, we instead score tokens with a metric we term the epiphany score: the change in the model's internal representation, read directly from the forward pass with no attention matrix and negligible extra state. Our resulting cache eviction method, EpiKV, requires no training, classifier, or custom kernel, and can be used directly in FlashAttention inference stacks unchanged -- scaling to a 16x longer feasible context than attention-based scoring. upper-mid layers negatively) and remove a positional trend with a causal rolling z-score. At a 4096-token cache EpiKV reaches 72% on MATH-500, matching the strongest attention-based baseline (ThinKV 71%, H2O 67%); a lag-normalized KV variant reaches 37% on AIME-2024 at 8192 tokens against the best of them (33%), at up to 2.8x the speed.
Authors: Luxi Lin, Shuang Peng, Rui Ma, Junhao Hua, Shuwei Fan, Zhengda Qin, Qiang Wang, Hongjian Sun, Fangmin Chen, Songwei Liu
Abstract: We present HyperDFlash, a block-parallel speculative decoding framework tailored to DeepSeek-V4's Hyper-Connections (HC). Despite the strong performance of DeepSeek-V4's native Multi-Token Prediction (MTP) module on initial token drafting, its draft accuracy degrades sharply at later positions, as error accumulation from unverified intermediate tokens harms draft acceptance rates. Although the original DFlash method supports efficient one-pass block drafting, it cannot be seamlessly adapted to the HC paradigm, since DeepSeek-V4's multi-path residual stream induces inherent feature misalignment with conventional drafting designs. To resolve this architectural mismatch, we propose two dedicated, model-aligned optimizations for HC residual streams. First, we adopt pre-collapse residual states as the exclusive conditioning signal, preserving complete multi-path structural information and better aligning the drafter with the target's native prediction pathway. Second, we replace the heavy generic linear compressor with a lightweight gated residual reducer, whose parameters are directly inherited from the target model's built-in hc_head module. This design yields input-aware path aggregation with three orders of magnitude fewer parameters while maintaining precise architectural alignment. We further enhance model training via a targeted KL distillation loss applied to the LM-head, regularizing predictions against the target distribution to improve early draft quality. Extensive experiments across math reasoning, code synthesis, and conversational benchmarks demonstrate that HyperDFlash consistently outperforms both the native MTP baseline and vanilla DFlash adaptation, achieving substantial gains in average accepted draft length and decoding speedup. These results validate HC alignment, gated reduction, and targeted distillation for high-performance speculative decoding.
Authors: MSVPJ Sathvik, Parmitha Vangapandu, Nishit Rane, Sathwik Narkedimilli, Mark Lee, Akrati Saxena
Abstract: The promotion of betting applications on social media platforms has increased significantly in recent years. Many of these advertisements use persuasive techniques that may mislead users, encourage risky behavior, and potentially influence users' mental well-being. However, research on the automated detection of manipulative and deceptive betting advertisements remains limited due to the lack of publicly available annotated datasets. In this work, we introduce a new dataset of betting-related advertisements collected from two widely used social media platforms, Instagram and Reddit. The advertisements were manually annotated for manipulative and deceptive advertising practices. In addition to classification labels, the dataset includes human-provided explanations that describe the reasoning behind each annotation, enabling research into explainable approaches to detecting manipulative advertising. Furthermore, we analyze the strategies commonly used in betting advertisements and examine how these persuasive tactics may impact users' mental health. The proposed framework can also enable practical applications such as browser plugins that warn users about manipulative betting advertisements and automated web crawlers that help regulatory authorities monitor and detect such promotions online.
Authors: Lang Huang, Jinglue Xu, Luke Darlow
Abstract: Time-series forecasting research has been moving steadily toward larger architectures, from specialized transformers to general-purpose foundation models, on the assumption that capacity is what unlocks accuracy. We take the opposite position: most of the gap can be closed at far lower cost by tuning preprocessing rather than scaling models. We use Ridge regression as the testbed, since it has a closed-form solution and interpretable weights, which let the optimal hyperparameters be read off the search directly. We search over context length, local normalization, regularization, and augmentation on eight standard benchmarks and find three patterns. (1) Optimal lookback is strongly series-specific and often non-monotonic in forecast horizon, with fitted power-law exponents ranging from $+0.46$ on ETTm2 to $-0.19$ on Exchange and Traffic, challenging the convention that longer horizons need longer history. (2) Normalizing over a learned trailing fraction of the context, rather than its entirety, is almost universally preferred. (3) Series within the same dataset often disagree on hyperparameters; the optimal degree of cross-series sharing varies from fully shared to fully per-series. The resulting models beat prior linear forecasters on most dataset-horizon entries and exceed Transformer, MLP, and CNN baselines on six of eight benchmarks. The optimized hyperparameters also serve as a diagnostic on the data itself, revealing structures that larger models absorb silently into their learned parameters. We provide an accompanying interactive online demonstration and the code at https://sakanaai.github.io/SearchCast/.
Authors: Haoran Zhang, Feng Zhou
Abstract: Transformer models rely on attention mechanism to capture long-range dependencies but suffer from quadratic complexity, limiting their scalability to long sequences. Kernel-based linear attention reduces this complexity but typically relies on fixed or weakly learnable kernels, restricting expressiveness and performance. In this work, we propose Flexformer, a flexible linear Transformer that learns attention kernels in a fully data-driven manner. Flexformer builds on random Fourier feature-based linear attention and treats spectral frequencies as trainable parameters, enabling the model to learn a broad family of attention kernels. We develop both stationary and nonstationary variants, with the latter offering strictly greater expressiveness. Extensive experiments on language modeling and sequence classification demonstrate that Flexformer consistently outperforms baselines. Moreover, Flexformer can be effectively distilled from pretrained Transformers to recover softmax attention and exhibits strong kernel transferability across domains, achieving both high efficiency and competitive performance on long-sequence tasks.
Authors: Takashi Fujiwara, Hikaru Shindo, Kaushalya Madhawa, Jun Jin Choong, Keisuke Ozawa
Abstract: Peptides are a promising therapeutic modality that combine the chemical tunability of small molecules with the target specificity of macromolecular therapeutics. However, designing antigen-specific binding peptides while avoiding toxicity remains a major challenge for therapeutic peptide discovery. Here, we present Pepti-drift, a toxicity-aware latent refinement framework that generates peptide candidates through a single antigen-conditioned drift step. In a peptide embedding space, Pepti-drift learns to attract generated peptide latents toward antigen-matched binding peptides while repelling them from toxicity-associated regions. This is challenging because binding-promoting physicochemical features often overlap with toxicity-associated features in peptide representation space. To address this, we introduce a warm-up strategy to stabilize this competing objective by first learning binding-oriented attraction and then increasing toxicity repulsion. Pepti-drift achieves highly efficient generation, running 16.2-fold faster than PepMLM and 1,092.0-fold faster than PepTune. Generated peptides show 100% validity, 98.1% uniqueness, the highest sequence diversity, and near-zero cross-antigen reuse. Further evaluation indicates consistently reduced toxicity and hemolysis risk across most peptide-length ranges while retaining target-related predictive binding signal. Pepti-drift thus provides a fast, scalable, and controllable framework for antigen-specific peptide design that directly encodes safe-and-active properties.
Authors: Guangtao Wang, Qinbao Song, Xiaoyan Zhu, Jiao Liu
Abstract: Selecting an appropriate classification algorithm for a given data set remains a challenging problem in data mining and machine learning. Existing algorithm recommendation models are typically trained with individual learners and rely on only one type of meta-feature, which may limit their ability to capture the diverse characteristics of classification problems. This paper proposes a multi-view ensemble meta-learning framework for classification algorithm recommendation. The framework constructs base recommendation models from different combinations of heterogeneous meta-feature groups and combines them through an accuracy- and diversity-aware ensemble strategy. The main focus of this work is empirical: we evaluate the proposed method on 1,090 benchmark classification problems derived from 84 public data sets, using 13 widely used candidate classification algorithms and five types of meta-features. The experimental results show that the proposed ensemble recommendation method consistently improves ranking loss, average precision, and top-ranked recommendation precision over individual recommendation models. These results suggest that combining complementary meta-feature views is an effective strategy for robust classification algorithm recommendation.
Authors: Yizhen Xu, AmirEmad Ghassami, Numair Sani, Ilya Shpitser
Abstract: In many applications, researchers are interested in the direct and indirect causal effects of a treatment or exposure on an outcome of interest. Mediation analysis offers a rigorous framework for identifying and estimating these causal effects. For binary treatments, efficient estimators for the direct and indirect effects are presented by Tchetgen Tchetgen and Shpitser (2012) based on the influence function of the parameter of interest. These estimators possess desirable properties such as multiple-robustness and asymptotic normality while allowing for slower than root-n rates of convergence for the nuisance parameters. However, in settings involving continuous treatments, these influence function-based estimators are not readily applicable without making strong parametric assumptions. In this work, utilizing a kernel smoothing approach, we propose an estimator suitable for settings with continuous treatments inspired by the influence function-based estimation strategy. Our proposed approach employs cross-fitting, relaxing the smoothness requirements on the nuisance functions and allowing them to be estimated at slower rates than the target parameter. Additionally, similar to influence function-based estimators, our proposed estimator is multiply robust and asymptotically normal, allowing for inference in settings where parametric assumptions may not be justified.
Authors: Yindong Chen, Yiwei Wang, Lulu Kang, Chun Liu
Abstract: We propose a novel deterministic sampling method, EVI-MMD, to approximate a target distribution $\rho^*$ by minimizing the kernel discrepancy, also known as the Maximum Mean Discrepancy (MMD). Leveraging the energetic variational inference framework (Wang et al., 2021), we transform the MMD minimization problem into solving a dynamic system of Ordinary Differential Equations (ODEs) for particles. The implicit Euler scheme is employed to solve the ODE system, leading to a proximal minimization problem at each iteration, which is efficiently addressed using optimization algorithms such as L-BFGS. A key innovation of our method is a dynamic bandwidth selection strategy for the Gaussian kernel, which, although heuristic at this stage, represents a meaningful step toward addressing a long-standing challenge in kernel-based methods. Comprehensive numerical experiments demonstrate that this adaptive bandwidth significantly enhances the performance of EVI-MMD. We apply the EVI-MMD algorithm to two types of sampling problems: (1) when the target distribution is fully specified by a density function, and (2) the ``two-sample problem,'' where only training data are available. In the latter case, EVI-MMD serves as a generative model, producing new samples that faithfully replicate the distribution of the training data. With carefully tuned parameters, EVI-MMD outperforms several existing methods in both scenarios.
Authors: Andrea Montanari, Basil Saeed
Abstract: We study a general class of optimization problems with decision variable $\boldsymbol{\Theta} \in \mathbb{R}^{p \times k}$ and cost function which is the sum of $n$ terms, each dependent on $\boldsymbol{\Theta}$ through the $k$-dimensional projection $\boldsymbol{\Theta}^\top \boldsymbol{x}_i$, where $\boldsymbol{x}_i$, $i \leq n$ are i.i.d. random vectors. This setting is general enough to include examples of current interest in statistical physics, high-dimensional statistics, and statistical learning theory. We consider the proportional asymptotics $n, p \to \infty$, with $n/p = \Theta(1)$, and prove that, whenever there exists a minimizer satisfying a suitable generalization of a "delocalization" condition, the minimum value is universal. Namely, (for subgaussian $\boldsymbol{x}_i$) it depends on the distribution of $\boldsymbol{x}_i$ only through its asymptotic mean and covariance. This delocalization condition is essentially necessary. Earlier universality results for such problems were limited to strongly convex loss functions. We derive applications of our theory to statistical learning and prove general universality results both for train and (under additional conditions) test error. In particular, we establish universality for vectors $\boldsymbol{x}_i$ generated by random 1-layer neural networks (random features models) and first-order Taylor approximations of 2-layer networks (neural tangent models). Finally, we establish that the delocalization property holds for a class of statistical learning problems under a condition that is easy to verify.
Authors: Bryan Kelly, Boris Kuznetsov, Semyon Malamud, Yuan Zhang
Abstract: We show that a deep neural network (DNN) trained to construct a stochastic discount factor (SDF) admits an additive decomposition separating nonlinear characteristic discovery from the pricing rule that aggregates them. This decomposition yields a linear factor representation governed by the Portfolio Tangent Kernel (PTK), which summarizes the network's learned features. In population, the implied SDF converges to a ridge-regularized version of the true SDF, with the degree of regularization determined by spectral complexity. Empirically, using U.S. equity data, the PTK representation delivers economically and statistically significant performance gains, while rising spectral complexity imposes tighter limits on finite-sample pricing.
Authors: Abhranil Das
Abstract: We present four new mathematical methods, two exact and two approximate, along with open-source software, to compute the cdf, pdf and inverse cdf of the generalized chi-square distribution. Some methods are geared for speed, while others are designed to be accurate far into the tails, using which we can also measure large values of the discriminability index $d'$ between multivariate normal distributions. We compare the accuracy and speed of these and previous methods, characterize their advantages and limitations, and identify the best methods to use in different cases.
Authors: Yi Li, Renyou Xie, Chaojie Li, Yi Wang, Zhaoyang Dong
Abstract: Mitigating cybersecurity risk in electric vehicle (EV) charging demand forecasting plays a crucial role in the safe operation of collective EV chargings, the stability of the power grid, and the cost-effective infrastructure expansion. However, existing methods either suffer from the data privacy issue and the susceptibility to cyberattacks or fail to consider the spatial correlation among different stations. To address these challenges, a federated graph learning approach involving multiple charging stations is proposed to collaboratively train a more generalized deep learning model for demand forecasting while capturing spatial correlations among various stations and enhancing robustness against potential attacks. Firstly, for better model performance, a Graph Neural Network (GNN) model is leveraged to characterize the geographic correlation among different charging stations in a federated manner. Secondly, to ensure robustness and deal with the data heterogeneity in a federated setting, a message passing that utilizes a global attention mechanism to aggregate personalized models for each client is proposed. Thirdly, by concerning cyberattacks, a special credit-based function is designed to mitigate potential threats from malicious clients or unwanted attacks. Extensive experiments on a public EV charging dataset are conducted using various deep learning techniques and federated learning methods to demonstrate the prediction accuracy and robustness of the proposed approach.
Authors: Changliang Zhou, Xi Lin, Zhenkun Wang, Xialiang Tong, Mingxuan Yuan, Qingfu Zhang
Abstract: In modern intelligent transportation systems (ITS), particularly in freight transportation and logistics, real-time route planning is crucial. It presents unique challenges driven by high uncertainty in service requests, where the number of service customers can vary drastically, ranging from hundreds to thousands. Existing neural methods struggle to maintain performance under such significant variations, which severely limits their practical applicability. To address this crucial shortcoming, this work proposes a novel Instance-Conditioned Adaptation Model (ICAM) designed for better large-scale generalization. In particular, we design a simple yet efficient instance-conditioned adaptation function that adjusts the policy based on the specific geometry and density of the current traffic scenario to improve model adaptability with minimal computational overhead. Furthermore, we propose a powerful yet low-complexity instance-conditioned adaptation module to generate better solutions for instances across various scales. Extensive experiments on synthetic, benchmark, and real-world instances demonstrate that ICAM can consistently achieve promising generalization performance across four widely studied large-scale route planning scenarios. Notably, our proposed method delivers high-quality solutions with remarkably fast inference speed, providing a scalable and efficient solution for real-time intelligent transportation operations. Our code is available at https://github.com/CIAM-Group/ICAM.
Authors: Wei-Ting Tang, Ankush Chakrabarty, Joel A. Paulson
Abstract: Novelty search (NS) aims to uncover diverse system behaviors through simulation or experiment without requiring a pre-specified scalar objective. This capability is especially relevant to modern discovery problems in chemistry, materials science, and molecular design, where researchers often seek broad coverage of attainable property space rather than a single optimum and where each evaluation may require a costly computation or experiment. For such expensive black-box settings, we propose BEACON, a sample-efficient NS strategy inspired by Bayesian optimization principles. BEACON models the input-to-outcome mapping using multi-output Gaussian processes and selects new inputs by scoring how far plausible posterior outcomes lie from a denoised archive of previously observed outcomes. This gives a distance-based novelty acquisition that accounts for predictive uncertainty and observational noise while operating directly in continuous outcome space, rather than requiring direct optimization over a discretized partition of behaviors. By leveraging efficient posterior sampling together with scalable high-dimensional Gaussian process models, the proposed framework can be extended to settings with large data sets and high-dimensional design variables. We demonstrate BEACON on established benchmark problems together with real-world case studies in materials and molecular discovery. Across these settings, BEACON consistently discovers broader sets of distinct behaviors than several competing baselines under limited evaluation budgets.
Authors: Ahmed Attia
Abstract: This paper presents a fully probabilistic approach for solving optimal experimental design problems under budget constraints. The experimental design is viewed as a random variable and is associated with a parametric conditional distribution that inherently models the budget constraints. The original optimization problem is replaced with an optimization over the expected value of the original objective, which is then optimized over the distribution parameters. The resulting optimal parameter (policy) is used to sample the feasible region of binary space to produce estimates of the optimal solution(s) of the original optimization problem. In this work we extend the family of conditional Bernoulli models to model the random variable conditioned by the total number of nonzero entries, that is, the budget constraint. This approach (a) is generally applicable to binary optimization problems with nonstochastic black-box objective functions and budget constraints; (b) employs conditional probabilities to model and sample only the feasible region and thus considerably reduces the computational cost compared with employing soft constraints; and (c) does not employ soft constraints and thus does not require tuning of a regularization parameter, for example to promote sparsity, which is generally challenging. The proposed approach is verified numerically using an optimal sensor placement experiment based on an advection-diffusion forward model in a parameter identification setup.
Authors: Yanke Song, Kenneth Gu, Sohom Bhattacharya, Pragya Sur
Abstract: This paper establishes the generalization error of pooled min-$\ell_2$-norm interpolation in transfer learning, where data from diverse distributions are available. Min-norm interpolators arise naturally as implicit regularized limits of modern machine learning algorithms. Prior work has characterized their out-of-distribution risk when samples from the test distribution are unavailable during training. In many applications, however, limited test samples may be available at training time, yet properties of min-norm interpolation in this regime remain poorly understood. We address this gap by characterizing the bias and variance of pooled min-$\ell_2$-norm interpolation under both covariate shift and model shift. Our results yield several important implications. In certain cases under model shift, we show that adding data always hurts when the signal-to-noise ratio (SNR) is low. At higher SNR levels, transfer learning is beneficial provided the shift-to-signal ratio falls below a threshold that we characterize explicitly. Under covariate shift, we find that when the source sample size is small relative to the dimension, greater heterogeneity between domains reduces risk, and vice versa. While our model shift results are initially established for Gaussian designs, we extend them to more general designs through a universality argument. To illustrate the broader applicability of our technical tools beyond interpolation learning, we characterize the risk of a bias-corrected estimator that uses the pooled interpolator as an initialization and corrects the resulting bias with target data. On the technical side, we develop a novel anisotropic local law and a Lindeberg-swapping argument, yielding tools that may be of independent interest in random matrix theory and universality analysis. Finally, we supplement our theory with simulations demonstrating the finite-sample efficacy of our results.
Authors: Aparajithan Venkateswaran, Emilija Perkovi\'c
Abstract: We study the problem of restricting a Markov equivalence class of maximal ancestral graphs (MAGs) to only those MAGs that contain certain edge marks, which we refer to as expert or orientation knowledge. Such a restriction of the Markov equivalence class can be uniquely represented by a restricted essential ancestral graph. Our contributions are several-fold. First, we prove certain properties for the entire Markov equivalence class including a conjecture from Ali et al. (2009). Second, we present several new sound graphical orientation rules for adding orientation knowledge to an essential ancestral graph. We also show that some orientation rules of Zhang (2008b) are not needed for restricting the Markov equivalence class with orientation knowledge. Third, we provide an algorithm for including this orientation knowledge and show that in certain settings the output of our algorithm is a restricted essential ancestral graph. Finally, outside of the specified settings, we provide an algorithm for checking whether a graph is a restricted essential graph and discuss its runtime. This work can be seen as a generalization of Meek (1995) to settings which allow for latent confounding.
Authors: Weizhou Wang, Eric Liu, Xiangyu Guo, Xiao Hu, Ilya Grishchenko, David Lie
Abstract: Supervised-learning-based vulnerability detectors often fall short due to limited labelled training data. In contrast, Large Language Models (LLMs) are trained on vast unlabelled code corpora, yet perform only marginally better than coin flips when directly prompted to detect vulnerabilities. In this paper, we reframe vulnerability detection as anomaly detection, based on the premise that vulnerable code is rare and thus anomalous relative to patterns learned by LLMs. We introduce ANVIL, which performs a masked code reconstruction task: The LLM reconstructs a masked line of code, and deviations from the original are scored as anomalies. We propose a hybrid anomaly score that combines exact match, cross-entropy loss, prediction confidence, and structural complexity. We evaluate our approach across multiple LLM families, scoring methods, and context sizes, and against vulnerabilities after the LLM's training cut-off. On the PrimeVul dataset, ANVIL outperforms state-of-the-art supervised detectors - LineVul, LineVD, and LLMAO - achieving up to 2x higher Top-3 accuracy, 75% better Normalized MFR, and a significant improvement on ROC-AUC. Finally, by integrating ANVIL with fuzzers, we uncover two previously unknown vulnerabilities, demonstrating the practical utility of anomaly-guided detection.
Authors: Gianmarco Genalti, Marco Mussi, Nicola Gatti, Marcello Restelli, Matteo Castiglioni, Alberto Maria Metelli
Abstract: Rested and Restless Bandits are two well-known bandit settings that are useful to model real-world sequential decision-making problems in which the expected reward of an arm evolves over time due to the actions we perform or due to the nature. In this work, we propose Graph-Triggered Bandits (GTBs), a unifying framework to generalize and extend rested and restless bandits. In this setting, the evolution of the arms' expected rewards is governed by a graph defined over the arms. An edge connecting a pair of arms $(i,j)$ represents the fact that a pull of arm $i$ triggers the evolution of arm $j$, and vice versa. Interestingly, rested and restless bandits are both special cases of our model for some suitable (degenerated) graph. As relevant case studies for this setting, we focus on two specific types of monotonic bandits: rising, where the expected reward of an arm grows as the number of triggers increases, and rotting, where the opposite behavior occurs. For these cases, we study the optimal policies. We provide suitable algorithms for all scenarios and discuss their theoretical guarantees, highlighting the complexity of the learning problem concerning instance-dependent terms that encode specific properties of the underlying graph structure.
Authors: Hadley Black, Euiwoong Lee, Arya Mazumdar, Barna Saha
Abstract: Recovering the underlying $k$-clustering of a set $U$ of $n$ points by asking pair-wise same-cluster queries has garnered significant interest in the past few years. Given a query $S \subset U$, $|S|=2$, the oracle returns "yes" if the points are in the same cluster and "no" otherwise. For adaptive algorithms, the query complexity is known to be $\Theta(nk)$, while non-adaptive algorithms are extremely limited: even for $k=3$, such algorithms require $\Omega(n^2)$ queries, matching the trivial upper bound. However, non-adaptivity is highly desirable since it allows queries to be asked in parallel. To break the quadratic barrier for non-adaptive queries, we study a natural generalization of this problem to subset queries for $|S|>2$, where the oracle returns the number of clusters intersecting $S$. Previous work obtained an $O(n)$ query adaptive algorithm, but the realm of non-adaptive algorithms remained completely unknown. In this paper, we give the first non-adaptive algorithms for clustering with subset queries. Our main result is a non-adaptive algorithm making $O(n \log k \cdot (\log k + \log\log n)^2)$ queries, improving to $O(n \log \log n)$ when $k$ is constant. In addition to non-adaptivity, we make other practical considerations, such as enforcing a bound, $s$, on the query size. We show $\Omega(\max(n^2/s^2,n))$ queries are necessary and obtain algorithms making $\smash{\widetilde{O}(n^2k/s^2)}$ queries for any $s \leq \sqrt{n}$ and $\smash{\widetilde{O}(n^2/s)}$ queries for any $s \leq n$. Finally, we obtain improved upper bounds when the clusters are roughly balanced, and when the algorithm is allowed two rounds of adaptivity.
Authors: Jose Andres Millan-Romera, Muhammad Shaheer, Miguel Fernandez-Cortizas, Martin R. Oswald, Holger Voos, Jose Luis Sanchez-Lopez
Abstract: Enabling robots to autonomously discover high-level spatial concepts (e.g., rooms and walls) from primitive geometric observations (e.g., planar surfaces) within 3D Scene Graphs is essential for robust indoor navigation and mapping. These graphs provide a hierarchical metric-semantic representation in which such concepts are organized. To further enhance graph-SLAM performance, Factorized 3D Scene Graphs incorporate these concepts as optimization factors that constrain relative geometry and enforce global consistency. However, both stages of this process remain largely manual: concepts are typically derived using hand-crafted, concept-specific heuristics, while factors and their covariances are likewise manually designed. This reliance on manual specification limits generalization across diverse environments and scalability to new concept classes. This paper presents a novel learning-based method that infers spatial concepts online from observed vertical planes and introduces them as optimizable factors within a SLAM backend, eliminating the need to handcraft concept generation, factor design, and covariance specification. We evaluate our approach in simulated environments with complex layouts, improving room detection by 20.7% and trajectory estimation by 19.2%. Validated on real construction sites, room detection improves by 5.3% and map matching accuracy by 3.8%.
Authors: Ziyu Chen, Markos A. Katsoulakis, Benjamin J. Zhang
Abstract: We introduce a novel Wasserstein-1 ($W_1$) path-space divergence for stochastic and deterministic dynamics and establish a Wasserstein Uncertainty Propagation (WUP) theorem that bounds the $W_1$ distance between terminal distributions by the proposed divergence, equivalently characterized by a weighted $L^2$ discrepancy between the underlying drifts and the $W_1$ distance between their initial measures. A key ingredient is a probabilistic framework combining adjoint Feynman-Kac representations with synchronous coupling (and reflection coupling on bounded domains), yielding Wasserstein stability estimates beyond existing PDE- and Girsanov-based approaches. The framework accommodates time-varying and possibly degenerate diffusion coefficients, empirical and singular measures, and remains valid in the deterministic limit of flow matching. Unlike KL-based uncertainty quantification bounds, it does not require absolute continuity of path measures and therefore remains well-defined in singular settings. As consequences of the WUP theorem, we derive $W_1$ robustness and generalization bounds for score-based generative models and flow matching at both population and finite-sample levels. We further specialize the framework to group-symmetric targets, providing the first error analysis of equivariant flow-based models and the first quantitative comparison between data augmentation and equivariant inductive bias. Our analysis identifies a symmetry-aware Wasserstein path-space divergence that quantifies the model-form error induced by non-equivariant parametrizations. We prove that this error cannot be removed by additional data or training and vanishes only under equivariant architectures, establishing a precise theoretical advantage of equivariant inductive bias over data augmentation. Numerical experiments on group-symmetric Gaussian mixtures corroborate the theory.
Authors: Lauren Nicole DeLong, Yojana Gadiya, Paola Galdi, Jacques D. Fleuriot, Daniel Domingo-Fern\'andez
Abstract: Background: Neurosymbolic (NeSy) artificial intelligence describes the combination of logic or rule-based techniques with neural networks. Compared to neural approaches, NeSy methods often possess enhanced interpretability, which is particularly promising for biomedical applications like drug discovery. However, no clear guidelines exist to assess the biological plausibility of model interpretations. Methods: To assess interpretability in the context of drug discovery, we devise a novel prediction task, called drug mechanism-of-action (MoA) deconvolution, with an associated, tailored knowledge graph (KG), MoA-net. We then develop the MoA Retrieval System (MARS), a NeSy approach for drug discovery which leverages logical rules with learned rule weights. Results: Using MARS' interpretable features alongside domain knowledge, we find that MARS and other NeSy approaches on KGs are susceptible to reasoning shortcuts, in which the prediction of true labels is driven by ``degree-bias'' rather than the domain-based rules. Subsequently, we demonstrate ways to identify and mitigate this. Thereafter, MARS achieves performance on par with current state-of-the-art models while producing model interpretations aligned with known MoAs. Conclusion: Through MARS, we showcase the novel task of computational MoA deconvolution. Our results emphasize the importance of using interpretable models, like NeSy ones, for applications in drug discovery. Specifically, by identifying and mitigating reasoning shortcuts, MARS MoA predictions which are biologically meaningful and, therefore, more reliable for downstream drug discovery research.
Authors: Joon Sung Park, Carolyn Q. Zou, Jonne Kamphorst, Niles Egan, Aaron Shaw, Benjamin Mako Hill, Carrie Cai, Meredith Ringel Morris, Percy Liang, Robb Willer, Michael S. Bernstein
Abstract: Machine learning can predict human behavior well when substantial structured data are available for well-defined outcomes. Such models are typically outcome-specific, however, requiring training data for each target outcome, limiting their applicability to new domains. We test whether large language models (LLMs) can relax these requirements by using self-report data to build attitudinal and behavioral simulations, or "generative agents," that can predict responses across outcomes without outcome-specific training data. Using data from a diverse national sample of 1,052 Americans, we built agents from (i) two-hour, semi-structured interviews elicited using the American Voices Project interview schedule, (ii) structured surveys including General Social Survey items and the Big Five personality inventory, or (iii) both sources combined. On held-out General Social Survey items, interview-only, survey-only, and combined agents achieved accuracies equal to 83%, 82%, and 86% of participants' own two-week test-retest consistency benchmark, respectively, compared with 74% for demographics-only agents. Combining interviews and surveys produced the highest accuracy, though gains over either source alone were modest, suggesting that predictive benefits from data begin to asymptote once the model has observed sufficient evidence within a domain. We find that these agents also predict personality traits, economic-game behavior, and experimental responses, while reducing accuracy disparities across racial and ideological groups relative to demographics-only agents. Together, these results show that LLM agents grounded in qualitative or quantitative self-reports can support general-purpose simulation of individuals across outcomes, without requiring task-specific training data.
Authors: Junhyeok Lee, Yujin Oh, Dahyoun Lee, Hyon Keun Joh, Minchul Kim, Chul-Ho Sohn, Sung Hyun Baik, Cheol Kyu Jung, Jung Hyun Park, Kyu Sung Choi, Byung-Hoon Kim, Jong Chul Ye
Abstract: Acute ischemic stroke (AIS) requires time-critical decision-making, where inaccurate interpretation of neuroimaging findings can lead to irreversible disability. Diffusion-weighted imaging (DWI) and apparent diffusion coefficient (ADC) maps from magnetic resonance imaging (MRI) are central to detecting acute infarction, yet generating factually reliable radiology reports directly from 3D MRI remains challenging due to the difficulty of learning robust cross-modal alignments between volumetric images and clinical text. We propose paired image-domain retrieval and text-domain augmentation (PIRTA), a retrieval-augmented generation framework that improves report factuality by avoiding explicit image-text alignment. PIRTA retrieves clinically similar 3D DWI/ADC volumes using a pretrained 3D vision encoder and leverages their paired clinician-authored reports to ground large language model (LLM)-based report generation. Experiments on multi-institutional in-house data, a held-out external privacy-preserving cohort, and the public ISLES benchmark demonstrate that PIRTA achieves strong image-domain retrieval performance and consistently improves ischemic-territory accuracy, a clinically grounded surrogate for report factuality, compared to direct image-to-text baselines. These results indicate that retrieval-grounded generation provides a scalable and reliable paradigm for producing factually consistent radiology reports from complex 3D brain MRI. Source code is available at https://github.com/jhlee0619/PIRTA.
Authors: Alfredo Lopez, Florian Sobieczky
Abstract: We introduce a local surrogate approach for explainable time-series forecasting. An initially non-interpretable predictive model to improve the forecast of a classical time-series 'base model' is used. 'Explainability' of the correction is provided by fitting the base model again to the data from which the error prediction is removed (subtracted), yielding a difference in the model parameters which can be interpreted. We provide illustrative examples to demonstrate the potential of the method to discover and explain underlying patterns in the data.
Authors: Sze Ming Lee, Yunxiao Chen
Abstract: Most statistical models for pairwise comparisons, including the Bradley-Terry (BT) and Thurstone models and many extensions, make a relatively strong assumption of stochastic transitivity. This assumption imposes the existence of an unobserved global ranking among all the players/teams/items and monotone constraints on the comparison probabilities implied by the global ranking. However, the stochastic transitivity assumption does not hold in many real-world scenarios of pairwise comparisons, especially games involving multiple skills or strategies. As a result, models relying on this assumption can have suboptimal predictive performance. In this paper, we propose a general family of statistical models for pairwise comparison data without a stochastic transitivity assumption, substantially extending the BT and Thurstone models. In this model, the pairwise probabilities are determined by a (approximately) low-dimensional skew-symmetric matrix. Likelihood-based estimation methods and computational algorithms are developed, which allow for sparse data with only a small proportion of observed pairs. Theoretical analysis shows that the proposed estimator achieves minimax-rate optimality, which adapts effectively to the sparsity level of the data. The spectral theory for skew-symmetric matrices plays a crucial role in the implementation and theoretical analysis. The proposed method's superiority against the BT model, along with its broad applicability across diverse scenarios, is further supported by simulations and real data analysis.
Authors: Runxiong Wu, Andi Wang
Abstract: Distributed empirical risk minimization (ERM) is often studied through two influential yet seemingly separate families of methods: CoCoA-type algorithms, derived from distributed dual coordinate ascent, and ADMM-type algorithms, derived from consensus and proximal splitting. In this paper, we investigate the connection of the two types of algorithms from a unified primal-dual perspective. We show that consensus ADMM, linearized consensus ADMM, two distributed proximal ADMM variants, and ridge-regularized CoCoA can all be written in a common update form involving a global primal variable and block dual variables. This reformulation makes several previously hidden connections explicit: For ridge-regularized ERM, CoCoA coincides with a particular proximal ADMM scheme at the level of the dual update. Moreover, consensus ADMM on the primal problem is equivalent to proximal ADMM on the dual problem under an explicit parameter mapping together with a sign reversal of the saddle objective; similar correspondences also hold for the linearized variants. These results indicates that the ADMM-type algorithms, when fine tuned, performs at least as good as CoCoA, under ridge regularized ERM problems. The unified view also yields a natural primal-dual gap stopping criterion for consensus ADMM and a unified $O(1/T)$ ergodic convergence analysis for the ADMM-type methods. Experiments on synthetic regression problems and real SVM datasets support the predicted relationships, clarify the role of tuning parameters, and show that suitably tuned ADMM variants can outperform CoCoA in the ridge-regularized setting.
Authors: Juraj Gottweis, Wei-Hung Weng, Alexander Daryin, Tao Tu, Petar Sirkovic, Artiom Myaskovsky, Grzegorz Glowaty, Felix Weissenberger, Alessio Orlandi, Dan Popovici, Anil Palepu, Keran Rong, Ryutaro Tanno, Khaled Saab, Fan Zhang, Jacob Blum, Andrew Carroll, Kavita Kulkarni, Nenad Tomasev, Dina Zverinski, Ivor Rendulic, Elahe Vedadi, Florian Hasler, Luka Rimanic, Marina Boia, Ivan Budiselic, Ben Feinstein, Mathias Bellaiche, Tom Sheffer, Jan Freyberg, Jeremy Ratcliff, Ottavia Bertolli, Katherine Chou, Avinatan Hassidim, Burak Gokturk, Amin Vahdat, Yuan Guan, Vikram Dhillon, Eeshit Dhaval Vaishnav, Byron Lee, Tiago R D Costa, Jos\'e R Penad\'es, Gary Peltz, Yossi Matias, James Manyika, Demis Hassabis, Yunhan Xu, Pushmeet Kohli, Annalisa Pawlosky, Alan Karthikesalingam, Vivek Natarajan
Abstract: Scientific discovery is driven by scientists generating novel hypotheses for complex problems that undergo rigorous experimental validation. To augment this process, we introduce Co-Scientist, a multi-agent AI system built on Gemini for structured scientific thinking and hypothesis generation. Co-Scientist aims to help scientists discover new original knowledge. Conditioned on their research objectives and prior scientific evidence, it formulates demonstrably novel research hypotheses for experimental verification. The system's design involves agents continuously generating, critiquing and refining hypotheses accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute scaling, improving hypothesis quality over time. While general purpose, we focus the validation in three biomedical applications: drug repurposing, novel target discovery, and explaining mechanisms of anti-microbial resistance. Specifically, Co-Scientist helped identify new drug repurposing candidates and synergistic combination therapies for acute myeloid leukemia, which were validated through in vitro experiments. These real-world validations demonstrate the potential of Co-Scientist to accelerate scientific discovery and usher in an era of AI empowered scientists.
Authors: Christian Marius Lillelund, Shi-ang Qi, Russell Greiner
Abstract: Dependent censoring occurs when the event time and censoring time are not conditionally independent given the observed covariates. This complicates survival model evaluation because widely used metrics, such as the Brier score, typically handle right-censoring using inverse probability of censoring weighting (IPCW). Unfortunately, IPCW is valid only when the estimated censoring distribution is independent of the event time. We propose a dependent Brier score based on an Archimedean copula and the Copula-Graphic estimator, and establish consistency and asymptotic normality of its margin-time estimator. To evaluate the metric, we introduce a semi-synthetic framework that creates realistic dependent censoring while preserving the original covariate structure and known event times. Across 12 datasets, the proposed metric reduces estimation error by 12-16\% on average relative to IPCW. Source code is available at https://github.com/thecml/DependentEVAL.
Authors: Lukas-Benedikt Fiechtner, Jose Blanchet
Abstract: Distributionally robust optimization (DRO) is widely used for decision-making under uncertainty, but its adversarial focus on worst-case loss can lead to overly conservative policies. To mitigate this, we study ex-ante Distributionally Robust Regret Optimization (DRRO) with Wasserstein ambiguity sets, designed to balance robustness with upside potential. We develop a theory of Wasserstein DRRO (WDRRO) paralleling Wasserstein DRO. Under smoothness and regularity, WDRRO selects among ERM optima by a first-order gradient-discrepancy rule. If the ERM optimizer is unique, first-order sensitivity vanishes and a second-order expansion governs deviations. For convex quadratics ERM and DRRO coincide for any radius. We then study regimes where these assumptions fail: nondifferentiable max-affine losses, discrete references, and larger radii, where WDRRO can differ from ERM and WDRO. We show that computing WDRRO regret is NP-hard even without bilinear terms. Nevertheless, we develop exact algorithms, a tractable convex relaxation with guarantees, and experiments showing tightness and loss-dependent behavior.
Authors: Henry Shugart, Jason M. Altschuler
Abstract: Efficient computation of min-max problems is a central question in optimization, learning, games, and control. Arguably the most natural algorithm is gradient-descent-ascent (GDA). However, since the 1970s, conventional wisdom has argued that GDA fails to converge even on simple problems. This failure spurred an extensive literature on modifying GDA with additional building blocks such as extragradients, optimism, momentum, anchoring, etc. In contrast, we show that GDA converges in its original form by simply using a judicious choice of stepsizes. The key innovation is the proposal of unconventional stepsize schedules (dubbed slingshot stepsize schedules) that are time-varying, asymmetric, and periodically negative. We show that all three properties are necessary for convergence, and that altogether this enables GDA to converge on the classical counterexamples (e.g., unconstrained convex-concave problems). The core algorithmic intuition is that although negative stepsizes make backward progress, they de-synchronize the min and max variables (overcoming the cycling issue of GDA), and lead to a slingshot phenomenon in which the forward progress in the other iterations is overwhelmingly larger. This results in fast overall convergence. Geometrically, the slingshot dynamics leverage the non-reversibility of gradient flow: positive/negative steps cancel to first order, yielding a second-order net movement in a new direction that leads to convergence and is otherwise impossible for GDA to move in. We interpret this as a second-order finite-differencing algorithm and show that, intriguingly, it approximately implements consensus optimization, an empirically popular algorithm for min-max problems involving deep neural networks (e.g., training GANs).
Authors: Daniil Kazantsev, Eric Moulines, Maxim Panov, Nikita Kotelevskii, Mohsen Guizani
Abstract: Reliable probability estimates by classifiers are essential in high-risk applications. In practice, however, predicted probabilities are often miscalibrated, and many existing post-hoc calibration methods typically lack guarantees that a specific notion of calibration is achieved after the correction procedure is applied. We introduce a *set-based* perspective on calibration through the notion of *cumulative mass calibration* and the corresponding error measures. We propose a new calibration procedure based on conformal prediction that forms cumulative probabilities with guaranteed marginal coverage. We introduce an __adaptive temperature scaling algorithm__, with the temperature tuned for each input to satisfy the conformal coverage constraint. As we show, this procedure can be efficiently implemented. Across image classification tasks, particularly in settings with many classes, our method improves newly introduced calibration error measures (__CMCE__ and $\alpha$-CMCE) *and* standard metrics (such as ECE, cw-ECE, MCE) over the existing baselines.
Authors: Zhican Wang, Guanghui He, Lingjun Gao, Dantong Liu, Shell Xu Hu, Chen Zhang, Zhuoran Song, Nicholas Lane, Hongxiang Fan
Abstract: 3D Gaussian Splatting (3DGS) has emerged as a powerful technique for novel view synthesis, combining high-quality reconstruction with efficient rendering. It has been widely adopted in domains such as AR/VR, robotics, and autonomous driving. However, achieving real-time performance on resource-constrained platforms remains challenging due to strict power and area budgets. Prior accelerators improve hardware performance but still overlook key inefficiencies, including insufficient rasterization efficiency, poor sorting scalability, and pipeline imbalance. This paper presents an architecture-algorithm co-design to address these challenges. First, we propose axis-shared rasterization, which precomputes and reuses common terms along the X- and Y-axes, reducing multiply-and-accumulate (MAC) operations by up to 38% while preserving high parallelism. Second, we develop a novel order-independent transmittance method that removes the need for explicit sorting by leveraging a lightweight multilayer perceptron (MLP) to directly approximate the transmittance of each Gaussian, enabling efficient alpha blending with negligible quality loss. Third, we design a unified reconfigurable PE array that supports both rasterization and MLP inference, sustaining high utilization without costly sorting hardware. Our experiments demonstrate that our design preserves rendering quality while achieving a 1.33 to 1.88x speedup over state-of-the-art 3DGS accelerators. Our code is open source at https://github.com/WangZhican/ISCA26_3DGS_Acc.
Authors: Yuxiang Wang, Xuecheng Bai, Chuanzhi Xu, Ying Zhou, Weidong Cai
Abstract: Small-object detection in Unmanned Aerial Vehicle (UAV) imagery requires preserving weak local evidence while using broader context to separate tiny foreground targets from cluttered backgrounds. Existing multi-scale fusion methods improve feature aggregation, but they often add computation or blur fine details during repeated cross-scale fusion. The central challenge is to balance low-SNR target preservation, clutter suppression, and efficient cross-scale context exchange. To address this challenge, we propose the Multi-scale Global-detail Feature Integration Strategy (MGDFIS), a neck-level feature-fusion strategy that couples global context exchange, local-detail recovery, and pixel-level foreground-background recalibration. MGDFIS integrates three coordinated modules: FusionLock-TSS Attention for stabilizing spectral-spatial responses, Global-detail Integration for combining long-range mixing with local detail capture, and Dynamic Pixel Attention for reweighting compact foreground regions. On the controlled VisDrone setting, YOLO26m + MGDFIS improves AP50:95 from 25.7 to 30.2 and AP50 from 37.2 to 44.2 over the YOLO26m baseline, with 96.1 GFLOPs. Additional dataset-specific evaluations report 38.9 AP50 and 21.9 AP50:95 on UAVDT and 97.4 AP50 on CARPK. The code is available at: https://github.com/JackBaixue/MGDFIS.
Authors: Vignesh Ram Nithin Kappagantula, Shayan Hassantabar
Abstract: The rapid growth of vacation rental (VR) platforms has led to an increasing volume of property images, often uploaded without structured categorization. This lack of organization poses significant challenges for travelers attempting to understand the spatial layout of a property, particularly when multiple rooms of the same type are present. To address this issue, we introduce an effective approach for solving the room scene discovery and grouping problem, as well as identifying bed types within each bedroom group. This grouping is valuable for travelers to comprehend the spatial organization, layout, and the sleeping configuration of the property. We propose a computationally efficient machine learning pipeline characterized by low latency and the ability to perform effectively with sample-efficient learning, making it well-suited for real-time and data-scarce environments. The pipeline integrates a supervised room-type detection model, a supervised overlap detection model to identify the overlap similarity between two images, and a clustering algorithm to group the images of the same space together using the similarity scores. Additionally, the pipeline maps each bedroom group to the corresponding bed types specified in the property's metadata, based on the visual content present in the group's images using a Multi-modal Large Language Model (MLLM) model. We evaluate the aforementioned models individually and also assess the pipeline in its entirety, observing strong performance that significantly outperforms established approaches such as contrastive learning and clustering with pretrained embeddings.
Authors: Anantha Narayanan Suresh Babu, Akhil Sadam, Pierre F. J. Lermusiaux
Abstract: Typically, numerical simulations of Earth systems are coarse, and Earth observations are sparse and gappy. We apply four generative diffusion modeling approaches to super-resolution and inference of forced two-dimensional quasi-geostrophic turbulence on the beta-plane from coarse, sparse, and gappy observations. Two guided approaches minimally adapt a pre-trained unconditional model: SDEdit modifies the initial condition, and Diffusion Posterior Sampling (DPS) modifies the reverse diffusion process score. Two conditional approaches, a vanilla variant and classifier-free guidance, require training with paired high-resolution and observation data. We consider multiple test cases spanning: two regimes, eddy and anisotropic-jet turbulence; two Reynolds numbers, 10^3 and 10^4; and two observation types, 4x coarse-resolution fields and coarse, sparse and gappy observations. Our comprehensive skill metrics include norms of the reconstructed vorticity fields, turbulence statistical quantities, and quantifications of the super-resolved probabilistic ensembles and their errors. We also study the sensitivity to tuning parameters such as guidance strength. Results show that the generated super-resolution fields of SDEdit are unphysical, while those of DPS are reasonable but with smoothed fine-scale features; however, neither of these lower-cost models propagates observational information effectively to unobserved regions. The two conditional models require re-training, but reconstruct missing fine-scale features, are cycle-consistent with observations, and predict correct turbulence statistics, including the tails. Further, their mean errors are highly correlated with and predictable from their ensemble standard deviations. Results highlight the tradeoffs between ease of implementation, fidelity (sharpness), and cycle-consistency of the diffusion models, and offer practical guidance for deployment.
Authors: Josep Domingo-Ferrer, Najeeb Jebreel, David S\'anchez
Abstract: Privacy protection laws, such as the GDPR, grant individuals the right to request the forgetting of their personal data not only from databases but also from machine learning (ML) models trained on them. Machine unlearning has emerged as a practical means to facilitate model forgetting of data instances seen during training. Although some existing machine unlearning methods guarantee exact forgetting, they are typically costly in computational terms. On the other hand, more affordable methods do not offer forgetting guarantees and are applicable only to specific ML models. In this paper, we present \emph{efficient unlearning with privacy guarantees} (EUPG), a novel machine unlearning framework that offers formal privacy guarantees to individuals whose data are being unlearned. EUPG involves pre-training ML models on data protected using privacy models, and it enables {\em efficient unlearning with the privacy guarantees offered by the privacy models in use}. Through empirical evaluation on four heterogeneous data sets protected with $k$-anonymity and $\epsilon$-differential privacy as privacy models, our approach demonstrates utility and forgetting effectiveness comparable to those of exact unlearning methods, while significantly reducing computational and storage costs. Our code is available at https://github.com/najeebjebreel/EUPG.
Authors: Guixian Xu, Jinglai Li, Junqi Tang
Abstract: In this work, we propose Fast Equivariant Imaging (FEI), a novel unsupervised learning framework to rapidly and efficiently train deep imaging networks without ground-truth data. FEI reformulates the EI objective through an inexact variable-splitting scheme, decoupling network training from an auxiliary restoration step implemented with a plug-and-play denoiser, this novel unsupervised scheme shows superior efficiency and performance compared to the standard Equivariant Imaging paradigm. In particular, our FEI schemes achieve an order-of-magnitude (10x) acceleration over standard EI on training U-Net for X-ray CT reconstruction and image inpainting, with improved generalization performance. Beyond offline training, the proposed scheme also enables efficient test-time adaptation of a pretrained model to individual samples, to secure further performance improvements. Extensive experiments show that the proposed approach provides a noticeable efficiency and performance gain over existing unsupervised methods and model adaptation techniques.
Authors: Jiahao Chen, Junhao Li, Yiming Wang, Yong Yang, Yi Jiang, Chunyi Zhou, Qingming Li, Tianyu Du, Shouling Ji
Abstract: The proliferation of Low-Rank Adaptation (LoRA) models has democratized personalized text-to-image generation, enabling users to share lightweight models (e.g., personal portraits) on platforms like Civitai and Liblib. However, this "share-and-play" ecosystem introduces critical risks: benign LoRAs can be weaponized by adversaries to generate harmful content (e.g., political, defamatory imagery), undermining creator rights and platform safety. Existing defenses like concept-erasure methods focus on full diffusion models (DMs), neglecting LoRA's unique role as a modular adapter and its vulnerability to adversarial prompt engineering. To bridge this gap, we propose LoRAShield, the first data-free editing framework for securing LoRA models against misuse. Our platform-driven approach dynamically edits and realigns LoRA's weight subspace via adversarial optimization and semantic augmentation. Experimental results demonstrate that LoRAShield achieves remarkable effectiveness, efficiency, and robustness in blocking malicious generations without sacrificing the functionality of the benign task. By shifting the defense to platforms, LoRAShield enables secure, scalable sharing of personalized models, a critical step toward trustworthy generative ecosystems.
Authors: Carolina Zheng, Nicolas Beltran-Velez, Sweta Karlekar, Claudia Shi, Achille Nazaret, Asif Mallik, Amir Feder, David M. Blei
Abstract: Traditional topic models are effective at uncovering latent themes in large text collections. However, due to their reliance on bag-of-words representations, they struggle to capture semantically abstract features. While some neural variants use richer representations, they are similarly constrained by expressing topics as word lists, which limits their ability to articulate complex topics. We introduce Mechanistic Topic Models (MTMs), a class of topic models that operate on interpretable features learned by sparse autoencoders (SAEs). By defining topics over this semantically rich space, MTMs can reveal deeper conceptual themes with expressive feature descriptions. Moreover, uniquely among topic models, MTMs enable controllable text generation using topic steering vectors. To properly evaluate MTM topics against word list approaches, we propose \textit{topic judge}, an LLM-based pairwise comparison evaluation framework. Across eight datasets, MTMs match or exceed traditional and neural baselines on coherence metrics, are consistently preferred by topic judge, and enable effective LLM steering.
Authors: Meixuan Wang, Yinyu Ye, Zijie Zhou
Abstract: We study offline scheduling for large language model (LLM) serving under a fixed KV-cache memory budget, where requests have heterogeneous prompt (prefill) and response (decode) lengths. Prompt tokens determine initial KV-cache usage, while each generated token further increases memory consumption, creating dynamic memory constraints during autoregressive decoding. Given a backlog of n requests arriving together, the goal is to form mixed prefill and decode batches over time to minimize total end-to-end latency. We show that heterogeneous prompt lengths fundamentally change the scheduling problem: the problem is NP-hard, and standard policies such as first-come-first-served, shortest-output-first, and total-size-based prioritization can have unbounded approximation ratios. We propose Sorted-F, a scheduling algorithm that repeatedly forms feasible batches using an F-metric that balances batch size against downstream decode cost. We prove that Sorted-F achieves a constant-factor approximation guarantee in the offline/backlogged model. We also develop practical implementations, including an exact dynamic program for small instances and scalable local-search and greedy heuristics for larger instances, as well as LP-guided and receding-horizon variants. Experiments on public workloads that combine short conversations and long-document summarization show that F-metric-based scheduling consistently reduces latency relative to standard baselines and remains close to the LP relaxation lower bound for tractable instances.
Authors: Yilun Hua, Evan Wang, Yoav Artzi
Abstract: Humans communicate with increasing efficiency in multi-turn interactions, by adapting their language and forming ad-hoc conventions. In contrast, prior work shows that LLMs do not naturally show this behavior. We develop a post-training process to develop this ability through targeted fine-tuning on heuristically identified demonstrations of convention formation. We evaluate with two new benchmarks focused on this capability. First, we design a focused, cognitively-motivated interaction benchmark that consistently elicits strong convention formation trends in humans. Second, we create a new document-grounded reference completion task that reflects in-the-wild convention formation behavior. Our studies show significantly improved convention formation abilities in post-trained LLMs across the two evaluation methods.
Authors: Syed Nazmus Sakib, Nafiul Haque, Mohammad Zabed Hossain, Shifat E. Arman
Abstract: Existing plant-disease datasets target classification and detection, leaving vision-language models unable to support interactive, reasoning-based diagnosis. To address this, we present PlantExpertVQA, a large-scale visual question answering (VQA) dataset designed to advance vision-language models for agricultural decision-making. It is compiled from 45 open-source datasets, including the widely used PlantVillage corpus, and comprises 765,186 high-quality question-answer (QA) pairs grounded over 150,841 images spanning 38 crop species and 89 disease conditions. Questions are organized into 3 levels of cognitive complexity and 9 distinct categories. Each was phrased following expert guidance and generated via an automated two-stage pipeline: template-based QA synthesis from image metadata, followed by multi-stage linguistic re-engineering. The dataset was iteratively reviewed by domain experts for scientific accuracy and relevance. We find that current frontier vision-language models, including recent open-source instruction-tuned multimodal LLMs, perform poorly on PlantExpertVQA. However, parameter-efficient fine-tuning of a compact 2B-parameter model on a small fraction of the dataset yields substantial improvements across all question categories, demonstrating its effectiveness for domain adaptation.
Authors: Oleksandr Cherednichenko, Josephine Solowiej-Wedderburn, Laura M. Carroll, Eric Libby
Abstract: A fundamental challenge in microbial ecology is determining whether bacteria compete or cooperate in different environmental conditions. With recent advances in genome-scale metabolic models, we are now capable of simulating interactions between thousands of pairs of bacteria in thousands of different environmental settings at a scale infeasible experimentally. These approaches can generate tremendous amounts of data that can be exploited by state-of-the-art machine learning algorithms to uncover the mechanisms driving interactions. Here, we present Friend or Foe, a compendium of 64 tabular environmental datasets, consisting of more than 26M shared environments for more than 10K pairs of bacteria sampled from two of the largest collections of metabolic models. The Friend or Foe datasets are curated for a wide range of machine learning tasks -- supervised, unsupervised, and generative -- to address specific questions underlying bacterial interactions. We benchmarked a selection of the most recent models for each of these tasks and our results indicate that machine learning can be successful in this application to microbial ecology. Going beyond, analyses of the Friend or Foe compendium can shed light on the predictability of bacterial interactions and highlight novel research directions into how bacteria infer and navigate their relationships.
Authors: Yuqi Zhou, Zhanhong Cheng, Dingyi Zhuang, Lingqian Hu, Yuheng Bu, Shenhao Wang
Abstract: Generalized extreme value models capture dependence among choice alternatives in discrete choice modeling, but require this dependence to be predefined, symmetric, and shared uniformly across individuals. Recent efforts to synergize discrete choice models with deep neural networks have improved predictive performance but still cannot explicitly represent alternative dependence within neural architectures. To address these gaps, we introduce the alternative graph -- a graph in which nodes represent choice alternatives and edges encode their dependence -- and propose Alternative Graph Neural Networks (Alt-GNNs), a family of GNN-based discrete choice models that embed alternative dependence within a unified framework. Theoretically, Alt-GNNs incorporate multinomial logit, nested logit, and ASU-DNN as special cases and enable innovative model designs, including Nested Alt-GNN, Complete Alt-GNN, and Attention Alt-GNN. Alt-GNNs are consistent with random utility maximization theory, enforce behavioral constraints through alternative graphs, and offer a novel graph-based interpretation of utility functions. Empirically, on two travel mode choice datasets from London and Chicago, Alt-GNNs significantly improve predictive performance over all benchmark models in mode choice modeling because of their flexible alternative graph design and vast hyperparameter space. Even the simplest Alt-GNN variant -- Nested Alt-GNN -- generalizes the nested logit model while preserving its unique two-layer substitution properties, enabling graph-based behavioral constraints over otherwise unconstrained behavioral patterns from deep neural networks.
Authors: Th\'eo Charlot, Tarek Kunze, Maxime Poli, Alejandrina Cristia, Emmanuel Dupoux, Marvin Lavechin
Abstract: Child-centered daylong recordings are essential for studying early language development, but existing speech models trained on clean adult data perform poorly due to acoustic and linguistic differences. We introduce BabyHuBERT, a self-supervised speech model trained on 13,000 hours of multilingual child-centered recordings from 40+ languages. Evaluated on voice type classification, the task of identifying who produces speech and when in child-centered recordings (key child, other children, male, and female adults), BabyHuBERT-VTC achieves F1-scores from 55.0% to 76.1% across six corpora, consistently outperforming W2V2-LL4300 and HuBERT (pretrained on English daylongs and clean adult speech, respectively). Notable gains include 14.0 and 18.3 absolute F1 points over HuBERT on Vanuatu and Solomon Islands, demonstrating effectiveness on underrepresented languages. We share code and models to support researchers working with child-centered recordings across diverse linguistic contexts.
Authors: Hadley Black, Kasper Green Larsen, Arya Mazumdar, Barna Saha, Geelon So
Abstract: In the classic point location problem, one is given an arbitrary dataset $X \subset \mathbb{R}^d$ of $n$ points with query access to an unknown halfspace $f : \mathbb{R}^d \to \{0,1\}$, and the goal is to learn the label of every point in $X$. This problem is extremely well-studied and a nearly-optimal $\widetilde{O}(d \log n)$ query algorithm is known due to Hopkins-Kane-Lovett-Mahajan (FOCS 2020). However, their algorithm is granted the power to query arbitrary points outside of $X$ (point synthesis), and in fact without this power there is an $\Omega(n)$ query lower bound due to Dasgupta (NeurIPS 2004). In this work our goal is to design efficient algorithms for learning halfspaces without point synthesis. To circumvent the $\Omega(n)$ lower bound, we consider learning halfspaces whose normal vectors come from a set of size $D$, and show tight bounds of $\Theta(D + \log n)$. As a corollary, we obtain an optimal $O(d + \log n)$ query deterministic learner for axis-aligned halfspaces, closing a previous gap of $O(d \log n)$ vs. $\Omega(d + \log n)$. In fact, our algorithm solves the more general problem of learning a Boolean function $f$ over $n$ elements which is monotone under at least one of $D$ provided orderings. Our technical insight is to exploit the structure in these orderings to perform a binary search in parallel rather than considering each ordering sequentially, and we believe our approach may be of broader interest. Furthermore, we use our exact learning algorithm to obtain nearly optimal algorithms for PAC-learning. We show that $O(\min(D + \log(1/\varepsilon), 1/\varepsilon) \cdot \log D)$ queries suffice to learn $f$ within error $\varepsilon$, even in a setting when $f$ can be adversarially corrupted on a $c\varepsilon$-fraction of points, for a sufficiently small constant $c$. This bound is optimal up to a $\log D$ factor, including in the realizable setting.
Authors: Ali Sadeghkhani, Brandon Bennett, Masoud Babaei, Arash Rabbani
Abstract: Obtaining truly representative pore-scale images that match bulk formation properties remains a fundamental challenge in subsurface characterization, as natural spatial heterogeneity causes extracted sub-images to deviate significantly from core-measured values. This challenge is compounded by data scarcity, where physical samples are only available at sparse well locations. This study presents a multi-conditional Generative Adversarial Network (cGAN) framework that generates representative pore-scale images with precisely controlled properties. The framework was trained on thin section samples from four depths (1879.50-1943.50 m) of a carbonate formation, simultaneously conditioning on porosity and depth within a single model. It processes RGB thin section images that preserve critical mineralogical information (anhydrite-dolomite differentiation, grain boundaries, porosity distinctions) lost in conventional grayscale representations, capturing characteristics from grainstone fabrics to crystalline textures with anhydrite inclusions. The model achieved strong porosity control (R^2 = 0.95) across all formations with mean absolute errors of 0.0099-0.0197. Morphological validation confirmed preservation of average pore radius, specific surface area, and tortuosity within acceptable tolerances. Two-point correlation (S2) analysis confirmed that generated images preserve the spatial continuity and characteristic length scales of natural pore networks, with results consistent across the imaging resolutions tested (1.8-3.0 micron/pixel). Validated against core sample properties, generated images showed higher property fidelity with dual-constraint errors of 1.9-12.4% compared to 37.5-713.6% for randomly extracted real sub-images. This capability provides practical tools for subsurface characterization, particularly valuable for carbon storage, geothermal energy, and groundwater management.
Authors: Rabin Adhikari
Abstract: Mechanistic interpretability aims to reverse-engineer large language models (LLMs) into human-understandable computational circuits. However, the complexity of pretrained models often obscures the minimal mechanisms required for specific reasoning tasks. In this work, we train small, attention-only transformers from scratch on a symbolic version of the Indirect Object Identification (IOI) task, a benchmark for studying coreference-like reasoning in transformers. Surprisingly, a single-layer model with only two attention heads achieves perfect IOI accuracy, despite lacking MLPs and normalization layers. Through residual stream decomposition, spectral analysis, and embedding interventions, we find that the two heads specialize into additive and contrastive subcircuits that jointly implement IOI resolution. Furthermore, we show that a two-layer, one-head model composes information from the previous layer primarily through query-key interactions. These results demonstrate that task-specific training induces highly interpretable, minimal circuits, offering a controlled testbed for probing the computational foundations of transformer reasoning.
Authors: Mitchell L. Prevett, Francis K. C. Hui, Zhi Yang Tho, A. H. Welsh, Anton H. Westveld
Abstract: We introduce Gradient Boosted Mixed Models (GBMixed), a framework which extends boosting to clustered data by jointly modeling the mean and variance components in a linear mixed model via likelihood-based gradients. GBMixed estimates a nonparametric fixed effects function characterizing the overall mean of the response, while also allowing the random effects covariance matrix along with the residual variance to depend on covariates in a flexible manner. We demonstrate how GBMixed facilitates covariate-dependent random effect predictions, and subsequently point predictions and prediction intervals for individual treatment effects, that can adapt between population-level and cluster-level information. Simulations and applications to two real-world datasets demonstrate that GBMixed can accurately recover complex nonlinear fixed effect functions and covariate-dependent covariances in a linear mixed model, while also improving point and probabilistic predictive performance compared with several existing approaches such as parametric linear mixed models, Natural Gradient Boosting, and Gaussian Process Boosting.
Authors: Shin Kamada, Takumi Ichimura
Abstract: An adaptive structural learning method of Restricted Boltzmann Machine (RBM) and Deep Belief Network (DBN) has been developed as one of prominent deep learning models. The neuron generation-annihilation algorithm in RBM and layer generation algorithm in DBN make an optimal network structure for given input during the learning. In this paper, our model is applied to an automatic recognition method of road network system, called RoadTracer. RoadTracer can generate a road map on the ground surface from aerial photograph data. A novel method of RoadTracer using the Teacher-Student based ensemble learning model of Adaptive DBN is proposed, since the road maps contain many complicated features so that a model with high representation power to detect should be required. The experimental results showed the detection accuracy of the proposed model was improved from 40.0\% to 89.0\% on average in the seven major cities among the test dataset. In addition, we challenged to apply our method to the detection of available roads when landslide by natural disaster is occurred, in order to rapidly obtain a way of transportation. For fast inference, a small size of the trained model was implemented on a small embedded edge device as lightweight deep learning. We reported the detection results for the satellite image before and after the rainfall disaster in Japan. This version of the article was improved the search algorithm at the border around image.
Authors: Aranyak Acharyya, Joshua Agterberg, Youngser Park, Carey E. Priebe
Abstract: Generative models, such as large language models or text-to-image diffusion models, can generate relevant responses to user-given queries. Response-based vector embeddings of generative models facilitate statistical analysis and inference on a given collection of black-box generative models. The Data Kernel Perspective Space embedding is one particular method of obtaining response-based vector embeddings for a given set of generative models, already discussed in the literature. In this paper, under appropriate regularity conditions, we establish high probability concentration bounds on the sample vector embeddings for a given set of generative models, obtained through the method of Data Kernel Perspective Space embedding. Our results tell us the required number of sample responses needed in order to approximate the population-level vector embeddings with a desired level of accuracy. The algebraic tools used to establish our results can be used further for establishing concentration bounds on Classical Multidimensional Scaling embeddings in general, when the dissimilarities are observed with noise.
Authors: Peiming Yang, Sankeerth Durvasula, Ivan Fernandez, Mohammad Sadrosadati, Onur Mutlu, Gennady Pekhimenko, Christina Giannoula
Abstract: High-performance Host processors can integrate Processing-In-Memory (PIM) devices, which can accelerate memory-intensive kernels of Machine Learning (ML) models, including Large Language Models (LLMs), by leveraging the large memory bandwidth available at PIM cores. However, Host processor needs consecutive elements distributed across DRAM banks, while PIM cores need consecutive elements within their local banks. This necessitates data rearrangements in ML kernel execution that pose significant performance and programmability challenges, further exacerbated by the need to support diverse PIM devices. Current compilation approaches lack systematic optimization for diverse ML kernels and multiple PIM devices, and may largely ignore data rearrangement costs during the compute code optimization step. We show that data rearrangements and compute code optimization are interdependent, and need to be jointly optimized during the tuning process. Therefore, we design DCC, the first data-centric ML compiler for PIM systems that jointly co-optimizes data rearrangements and compute code in a unified tuning process. DCC integrates a multi-layer PIM abstraction to support multiple PIM backends. DCC enables effective co-optimization of data partitioning strategies with compute loop partitioning schemes. DCC applies PIM-specific code optimizations, and leverages a fast and accurate performance prediction model to select the bestperforming code schedule for a given kernel on a target PIM architecture. Our evaluations in various individual ML kernels show that DCC achieves up to 7.68x speedup (2.21x average) on HBM-PIM, and up to 13.17x speedup (3.92x average) on AttAcc PIM, over GPU-only execution. In end-to-end LLM inference, DCC on AttAcc accelerates GPT-3 and LLaMA-2 by 4.52x average (up to 7.71x in LLaMA-2) over GPU. DCC is open-sourced at https://github.com/SPIN-Research-Group/DCC.
Authors: Kwun Ho Ngan, Saman Sadeghi Afgeh, Joe Townsend, Artur d'Avila Garcez
Abstract: Contrastive vision-language models continue to be the dominant approach for image-text retrieval. Contrastive Language-Image Pre-training (CLIP) trains two neural networks to align their image and text embeddings in a shared latent space. As a challenging case-study for neurosymbolic AI, recent results evaluating CLIP on negated or paraphrased text have shown mixed performance as these are difficult to define formally for text data. Negation produces the opposite meaning using various possible but small lexical changes. Paraphrasing may use very different textual expressions to denote essentially the same thing. As a result, learning of paraphrasing and negation together poses a significant challenge because of the above mismatch between changes in syntax and intended meaning expected to be captured by distances in embedding space. This paper proposes a new CLIP contrastive loss function capable of balancing the requirements of having both paraphrasing and negation. It applies training triplets consisting of original, paraphrased and negated text generated by multiple large language models to the evaluation of CLIP models. The approach, called SemCLIP, aims to learn semantically-relevant and simple embeddings, placing paraphrased captions nearer to the original image embeddings while at the same time pushing negated captions farther away. Empirically, SemCLIP is shown to be capable of preserving roughly the same performance as CLIP augmented with either negation or paraphrasing. Although direct comparisons are difficult to make because the problem of learning with both negation and paraphrasing is different, an expected benefit of SemCLIP should be robustness when applied zero-shot to downstream image classification tasks. Our experiments confirm such robustness as measured by difference in accuracy (mean-accuracy delta) between original and negated captions on five downstream datasets.
Authors: Ho Fung Tsoi, Dylan Rankin, Vladimir Loncar, Philip Harris
Abstract: Inference of standard convolutional neural networks (CNNs) on FPGAs often incurs high latency and a long initiation interval due to the deep nested loops required to densely convolve every input pixel regardless of its feature value. However, input features can be spatially sparse in some image data, where semantic information may occupy only a small fraction of the pixels and most computation would be wasted on empty regions. In this work, we introduce SparsePixels, a framework that implements sparse convolution on FPGAs by selectively retaining and computing on a small subset of active pixels while ignoring the rest. Because computation always runs over a single pre-specified pixel budget, the inference latency is independent of the input sparsity and is constant at runtime. We show that, for identifying neutrino interactions in naturally sparse LArTPC images with 4k pixels, a standard CNN with a compact size of 4k parameters incurs an inference latency of 48.665 $\mu$s on an FPGA, whereas a sparse CNN of the same base architecture, computing on less than 1% of the input pixels, achieves a $\times 73$ speedup to 0.665 $\mu$s with resource utilization well within on-chip budgets, trading only a small percent-level performance loss. This work aims to benefit future algorithm development for efficient data readout in modern experiments with latency requirements of microseconds or below.
Authors: Andreas Hauptmann, Ozan \"Oktem
Abstract: Learned image reconstruction has become a pillar in computational imaging and inverse problems. Among the most successful approaches are learned iterative networks, which are formulated by unrolling classical iterative optimisation algorithms for solving variational problems. While the underlying algorithm is usually formulated in the functional analytic setting, learned approaches are often viewed as purely discrete. In this survey we present a unified operator view for learned iterative networks. Specifically, we formulate a learned reconstruction operator, defining how to compute, and separately the learning problem, which defines what to compute. In this setting we present common approaches and show that many approaches are closely related in their core. We review linear as well as non-linear inverse problems in this framework and present a short numerical study to conclude.
Authors: Mengqi He, Xinyu Tian, Xin Shen, Jinhong Ni, Shu Zou, Zhaoyuan Yang, Jing Zhang
Abstract: Vision-language models (VLMs) achieve remarkable performance but remain vulnerable to adversarial attacks. Entropy, as a measure of model uncertainty, is highly correlated with VLM reliability. While prior entropy-based attacks maximize uncertainty at all decoding steps, implicitly assuming that every token equally contributes to model instability, we reveal that a small fraction (around 20%) of high-entropy tokens, in the evaluated representative open-source VLMs with diverse architectures, concentrates a disproportionate share of adversarial influence during autoregressive generation. We demonstrate that concentrating adversarial perturbations on these high-entropy positions achieves comparable semantic degradation to global methods while optimizing fewer decoding positions. Additionally, across multiple representative VLMs, such attacks induce not only semantic drift but also a substantial unsafe subset (20-31%) under the current pipeline. Remarkably, since such vulnerable high-entropy tokens recur across architecturally diverse VLMs, attacks focused on them exhibit non-trivial transferability. Motivated by these findings, we design a simple Entropy-Guided Attack (EGA) that operationalizes sparse high-entropy targeting and extends it with a reusable token bank, yielding competitive attack success rates (93-95%) with a considerable harmful rate (30.2-38.6%) on the three representative open-source VLMs.
Authors: Yotam Peled, David Zenati, Eliya Nachmani
Abstract: Realizing the full potential of quantum computation requires Quantum Error Correction (QEC). QEC reduces error rates by encoding logical information across redundant physical qubits, enabling errors to be detected and corrected. A common decoder used for this task is Minimum Weight Perfect Matching (MWPM) a graph-based algorithm that relies on edge weights to identify the most likely error chains. In this work, we propose a data-driven decoder named Neural Minimum Weight Perfect Matching (NMWPM). Our decoder utilizes a hybrid architecture that integrates Graph Neural Networks (GNNs) to extract local syndrome features and Transformers to capture long-range global dependencies, which are then used to predict dynamic edge weights for the MWPM decoder. To facilitate training through the non-differentiable MWPM algorithm, we formulate a novel proxy loss function that enables end-to-end optimization. Our findings on the toric code under depolarizing noise demonstrate thresholds of 17.9% and 10.95%, nearing the 18.9% and 11.0% maximum likelihood bounds, highlighting the advantage of hybrid decoders that combine the predictive capabilities of neural networks with the algorithmic structure of classical matching.
Authors: Guanyu Chen, Chenxiao Yu, Xiyang Hu
Abstract: Large language models (LLMs) are increasingly used to simulate decision-making tasks involving personal data sharing, where privacy concerns and prosocial motivations can push choices in opposite directions. Existing evaluations often measure privacy-related attitudes or sharing intentions in isolation, which makes it difficult to determine whether a model's expressed values jointly predict its downstream data-sharing actions as in real human behaviors. We introduce a context-based assessment protocol that sequentially administers standardized questionnaires for privacy attitudes, prosocialness, and acceptance of data sharing within a bounded, history-carrying session. To evaluate value-action alignments under competing attitudes, we use multi-group structural equation modeling (MGSEM) to identify relations from privacy concerns and prosocialness to data sharing. We propose Value-Action Alignment Rate (VAAR), a human-referenced directional agreement metric that aggregates path-level evidence for expected signs. Across multiple LLMs, we observe stable but model-specific Privacy-PSA-AoDS profiles, and substantial heterogeneity in value-action alignment.
Authors: Zheng Luo, T Pranav Kutralingam, Ogochukwu N Okoani, Wanpeng Xu, Hua Wei, Xiyang Hu
Abstract: Large Language Models (LLMs) are increasingly deployed as agents that invoke external tools through structured function calls. While recent work reports strong tool-calling performance under standard English-centric evaluations, the robustness of tool calling under multilingual user interactions remains underexplored. In this work, we introduce MLCL, a diagnostic benchmark, and conduct a systematic evaluation of multilingual tool calling across Chinese, Hindi, and the low-resource language Igbo. Through fine-grained error analysis, we show that many failures occur despite correct intent understanding and tool selection. We identify parameter value language mismatch as a dominant failure mode, where models generate semantically appropriate parameter values in the user's language, violating language-invariant execution conventions. We further evaluate several inference-time system strategies and find that while these strategies substantially reduce language-induced execution errors, none of them can fully recover English-level performance.
Authors: Chenjie Hao, Weyl Lu, Yuko Ishiwaka, Zengyi Li, Weier Wan, Yubei Chen
Abstract: When a model knows when it does not know, many possibilities emerge. The first question is how to enable a model to recognize that it does not know. A promising approach is to use confidence, computed from the model's internal signals, to reflect its ignorance. Prior work in specific domains has shown that calibration can provide reliable confidence estimates. In this work, we propose a simple, effective, and universal training-free method that applies to both vision and language models, performing model calibration, cascading, and data cleaning to better exploit a model's ability to recognize when it does not know. We first highlight two key empirical observations: higher confidence corresponds to higher accuracy within a single model, and models calibrated on the validation set remain calibrated on a held-out test set. These findings empirically establish the reliability and comparability of calibrated confidence. Building on this, we introduce two applications: (1) model cascading with calibrated advantage routing and (2) data cleaning based on model ensemble. Using the routing signal derived from the comparability of calibrated confidences, we cascade large and small models to improve efficiency with almost no compromise in accuracy, and we further cascade two models of comparable scale to achieve performance beyond either model alone. Leveraging multiple experts and their calibrated confidences, we design a simple yet effective data-cleaning method that balances precision and detection rate to identify mislabeled samples in ImageNet and Massive Multitask Language Understanding (MMLU) datasets. Our results demonstrate that enabling models to recognize when they do not know is a practical step toward more efficient, reliable, and trustworthy AI.
Authors: Adithya V Ganesan, Vasudha Varadarajan, Oscar NE Kjell, Whitney R Ringwald, Scott Feltman, Benjamin J Luft, Roman Kotov, Ryan L Boyd, H Andrew Schwartz
Abstract: While NLP typically treats documents as independent and unordered samples, in longitudinal studies, this assumption rarely holds: documents are nested within authors and ordered in time, forming person-indexed, time-ordered $\textit{behavioral sequences}$. Here, we demonstrate the need for and propose a longitudinal modeling and evaluation paradigm that consequently updates four parts of the NLP pipeline: (1) evaluation splits aligned to generalization over people ($\textit{cross-sectional}$) and/or time ($\textit{prospective}$); (2) accuracy metrics separating between-person differences from within-person dynamics; (3) sequence inputs to incorporate history by default; and (4) model internals that support different $\textit{coarseness}$ of latent state over histories (pooled summaries, explicit dynamics, or interaction-based models). We demonstrate the issues ensued by traditional pipeline and our proposed improvements on a dataset of 17k daily diary transcripts paired with PTSD symptom severity from 238 participants, finding that traditional document-level evaluation can yield substantially different and sometimes reversed conclusions compared to our ecologically valid modeling and evaluation. We tie our results to a broader discussion motivating a shift from word-sequence evaluation toward $\textit{behavior-sequence}$ paradigms for NLP.
Authors: Ahmed Attia
Abstract: We present a novel probabilistic approach for optimal experimental path design. In this approach a discrete path optimization problem is defined on a static navigation mesh, and trajectories are modeled as random variables governed by a parametric Markov policy. The discrete path optimization problem is then replaced with an equivalent stochastic optimization problem over the policy parameters, resulting in an optimal probability model that samples estimates of the optimal discrete path. This approach enables exploration of the utility function's distribution tail and treats the utility function of the design as a black box, making it applicable to linear and nonlinear inverse problems and beyond experimental design. Numerical verification and analysis are carried out by using a parameter identification problem widely used in model-based optimal experimental design, namely a two-dimensional time-dependent advection diffusion problem in which the initial condition is the inference target. Experiments use both coarse and fine navigation meshes, with either a single moving sensor or a group of seven coordinated sensors, and the proposed approach is evaluated under D-, A-, and E-optimality criteria.
Authors: Ruo Qi, Linhui Dai, Yusong Qin, Chaolei Yang, Yanshan Li
Abstract: Low-resolution remote sensing small object detection is limited by both missing visual details and the ambiguity of how details serve detection. Existing super-resolution-assisted detectors generally follow a restoration-first paradigm to explicitly enhance inputs before detection, which implicitly assumes visual fidelity benefits recognition. Yet super-resolution favors dense texture and edge recovery, while object detection relies on sparse instance-level semantics, making restoration amplify visually plausible but semantically irrelevant background textures. To tackle this issue, we propose CoLR-Det, a Collaborative Latent-Restoration-Assisted Small Object Detection framework that treats super-resolution supervision as detection-oriented latent regularization rather than explicit image-level enhancement. Instead of reconstructing high-resolution images for inference, CoLR-Det uses a training-only restoration branch to impose auxiliary reconstruction constraints on shared multiscale representations, and the inference pathway remains purely detection-driven. We further design a saliency-guided object-preserving token routing mechanism, which prioritizes high-saliency tokens for attention-based refinement while retaining information of bypassed tokens. Besides, a detection-prioritized two-stage optimization strategy is developed: it first builds stable object-level semantics before introducing restoration supervision, and assigns a smaller learning rate to the SR decoder to keep its updates conservative and reduce perturbations in collaborative training. With this design, CoLR-Det transforms restoration from an explicit visual enhancement operator into an implicit semantic regularizer. Experiments on resolution-degraded NWPU VHR-10-Split, DOTAv1.5-Split and HRSSD-Split show that CoLR-Det outperforms state-of-the-art methods, with code available at https://github.com/qiruo-ya/CoLR-Det.
Authors: Radu Cosmin Dumitru, Ryo Yoshinaka, Ayumi Shinohara
Abstract: It is well known that computing a minimum deterministic finite automaton consistent with a given set of positive and negative examples is NP-hard. Previous work has identified conditions on the input sample under which the problem becomes tractable or remains hard. In this paper, we study the computational complexity of the case where the input sample is prefix-closed. This formulation is equivalent to computing a minimum Moore machine consistent with observations along its runs. We show that the problem is NP-hard to approximate when the sample set consists of all prefixes of binary strings. Furthermore, we show that the problem remains NP-hard as a decision problem even when the sample set consists of the prefixes of a single binary string. Our argument also extends to the corresponding problem for Mealy machines.
Authors: Amanda Coston
Abstract: Empirical investigations into unintended model behavior often show that the algorithm is predicting another outcome than what was intended. These expos\'es highlight the need to identify when algorithms predict unintended quantities - ideally before deploying them into consequential settings. We propose a falsification framework that provides a principled statistical test for discriminant validity: the requirement that an algorithm predict intended outcomes better than impermissible ones. Drawing on falsification practices from causal inference, econometrics, and psychometrics, our framework compares calibrated prediction losses across outcomes to assess whether the algorithm exhibits discriminant validity with respect to a specified impermissible proxy. In settings where the target outcome is difficult to observe, multiple permissible proxy outcomes may be available; our framework accommodates both this setting and the case with a single permissible proxy. Throughout we use nonparametric hypothesis testing methods that make minimal assumptions on the data-generating process. We illustrate the method in an admissions setting, where the framework establishes discriminant validity with respect to gender but fails to establish discriminant validity with respect to race. This demonstrates how falsification can serve as an early validity check. We also provide analysis in a criminal justice setting, where we highlight the limitations of our framework and emphasize the need for complementary approaches to assess other aspects of construct validity and external validity.
Authors: Brian Y. Tsui, Alan Y. Fang, Tiffany J. Hwu
Abstract: Robotic manipulation has increasingly adopted vision-language-action (VLA) models, which achieve strong performance but typically require task-specific demonstrations and fine-tuning, and often generalize poorly under domain shift. We investigate whether general-purpose large language model (LLM) agent frameworks, originally developed for software engineering, can serve as an alternative control paradigm for embodied manipulation. We introduce FAEA (Frontier Agent as Embodied Agent), which applies an LLM agent framework directly to embodied manipulation without modification. Using the same iterative reasoning that enables software agents to debug code, FAEA enables embodied agents to reason through manipulation strategies. We evaluate an unmodified frontier agent, Claude Agent SDK, across the LIBERO, ManiSkill3, and MetaWorld benchmarks. With privileged environment state access, FAEA achieves success rates of 84.9%, 85.7%, and 96%, respectively. This level of task success approaches that of VLA models trained with less than 100 demonstrations per task, without requiring demonstrations or fine-tuning. With one round of human feedback as an optional optimization, performance increases to 88.2% on LIBERO. This demonstration-free capability has immediate practical value: FAEA can autonomously explore novel scenarios in simulation and generate successful trajectories for training data augmentation in embodied learning. Our results indicate that general-purpose agents are sufficient for a class of manipulation tasks dominated by deliberative, task-level planning. This opens a path for robotics systems to leverage actively maintained agent infrastructure and benefit directly from ongoing advances in frontier models. Code is available at https://github.com/robiemusketeer/faea-sim
Authors: Murad Farzulla
Abstract: Do the functional narratives in cryptocurrency whitepapers correspond to how their tokens behave in markets? We develop a content-verified, contamination-aware pipeline for measuring structural correspondence between project narratives and market structure, and report two results. The first is a cautionary one. An apparent entity-level signal in an earlier version of our corpus -- specialised tokens appearing to align more strongly than broad infrastructure tokens -- was entirely an artifact of corpus contamination: roughly a quarter of the documents were failed-download stubs or wrong-document whitepapers (for example, a "Cosmos" entry that was in fact Binance Smart Chain text), and the apparent ordering does not survive content verification: on the clean corpus no token registers as helping alignment. We therefore report it as a contamination diagnosis, not a finding. The second is an honest null. Combining zero-shot NLP classification of 43 content-verified whitepapers across 10 semantic categories with seven cross-sectional market-structure statistics computed from hourly data (17,543 timestamps, 2023-2024), and aligning the two spaces with Procrustes rotation and Tucker's congruence coefficient ($\phi$), we do not detect a significant claims-market alignment in this $n = 43$ sample (dimension-matched $\phi = 0.303$, zero-padded $\phi = 0.223$; both non-significant). A positive-control and power analysis shows the binding constraint is the low reliability of the text instrument: the minimum detectable effect is $\phi \approx 0.66$, well above the observed $\approx 0.22$. This is absence of evidence for alignment, not evidence of its absence -- we can reject strong alignment ($\phi \geq 0.70$) but cannot distinguish weak alignment ($\phi \approx 0.3$) from none.
Authors: Baturay Saglam, Dionysis Kalogerias
Abstract: Large language models can produce toxic or inappropriate text even for benign inputs, creating risks when deployed at scale. Detoxification is therefore important for safety and user trust, particularly when we want to reduce harmful content without sacrificing the model's generation quality. Many existing approaches rely on model retraining, gradients, or learned auxiliary components, which can be costly and may not transfer across model families or to truly black-box settings. We introduce a test-time procedure that approximates the gradient of completion toxicity with respect to the input embeddings and uses a small number of descent steps to steer generation toward less toxic continuations. This is achieved with zeroth-order optimization that requires only access to input embeddings, a toxicity scoring function, and forward evaluations of the model. Empirically, the approach delivers robust toxicity reductions across models and prompts and, in most settings, achieves the best overall toxicity-quality trade-off. More broadly, our work positions word embeddings as effective control variables and encourages wider use of black-box optimization to guide autoregressive language models toward scalable, safer text generation, without requiring any training or access to intermediate computations.
Authors: Zhenkai Bo, Ahmed H. Elsheikh, Hannah P. Menke, Julien Maes, Sebastian Geiger, Muhammad Z. Kashim, Zainol A. A. Bakar, Kamaljit Singh
Abstract: Carbonate reservoirs offer significant capacity for subsurface carbon storage, oil production, and underground hydrogen storage. X-ray computed tomography (X-ray CT) coupled with numerical simulations is commonly used to investigate the multiphase flow behaviors in carbonate rocks. Carbonates exhibit pore size distribution across scales, hindering the comprehensive investigation with conventional X-ray CT images. Imaging samples at both macro and micro-scales (multi-scale imaging) proved to be a viable option in this context. However, multi-scale imaging faces two key limitations: the trade-off between field of view and voxel size necessitates resource-intensive imaging, while multi-scale multi-physics numerical simulations on resulting digital models incur prohibitive computational costs. To address these challenges, we propose a machine learning-enhanced data assimilation framework that leverages experimental drainage relative permeability measurements to achieve efficient characterization of micro-scale structures, delivering a data-driven solution toward a high-fidelity multiscale digital rock modeling. We train a dense neural network (DNN) as a proxy to a multi-scale pore network simulator and couple it with an ensemble smoother with multiple data assimilation (ESMDA) algorithm. DNN-ESMDA framework simultaneously infers the CO2-brine drainage relative permeability of microporosity phases with associated uncertainty estimation, revealing the relative importance of each rock phase and guiding future characterization. Our DNN-ESMDA framework achieves a computational speedup, reducing inference time from thousands of hours to seconds compared with the usage of conventional multiscale numerical simulation. Given this computational efficiency and applicability, the machine learning-enhanced ESMDA framework presents a generalizable approach for characterizing multiscale carbonate rocks.
Authors: Manuel Escudero, Mohamadreza Zolfagharinejad, Sjoerd van den Belt, Nikolaos Alachiotis, Wilfred G. van der Wiel
Abstract: Kolmogorov-Arnold Networks (KANs) shift neural computation from linear layers to learnable nonlinear edge functions, but implementing these nonlinearities efficiently in hardware remains an open challenge. Here we introduce a physical analogue KAN architecture in which edge functions are realized in materia using reconfigurable nonlinear-processing units (RNPUs): multi-terminal nanoscale silicon devices whose input-output characteristics are tuned via control voltages. By combining multiple RNPUs into an edge processor and assembling these blocks into a reconfigurable analogue KAN (aKAN) architecture with integrated mixed-signal interfacing, we establish a realistic system-level hardware implementation that enables compact KAN-style regression and classification with programmable nonlinear transformations. Using experimentally calibrated RNPU models and hardware measurements, we demonstrate accurate function approximation across increasing task complexity while requiring fewer or comparable trainable parameters than multilayer perceptrons (MLPs). System-level estimates indicate an energy per inference of roughly 200 pJ and an end-to-end inference latency of roughly 0.6 $\mu$s for a representative workload, corresponding to over 100$\times$ reduction in energy accompanied by $>$10$\times$ reduction in area compared to a digital fixed-point MLP at similar approximation error. These results establish RNPUs as scalable, hardware-native nonlinear computing primitives and identify analogue KAN architectures as a realistic silicon-based pathway toward energy-, latency-, and footprint-efficient analogue neural-network hardware, particularly for edge inference.
Authors: Yihang Yao, Zhepeng Cen, Haohong Lin, Shiqi Liu, Zuxin Liu, Jiacheng Zhu, Zhang-Wei Hong, Laixi Shi, Ding Zhao
Abstract: Proactive large language model (LLM) agents aim to actively plan, query, and interact over multiple turns, enabling efficient task completion beyond passive instruction following and making them essential for real-world, user-centric applications. Agentic reinforcement learning (RL) has recently emerged as a promising solution for training such agents in multi-turn settings, allowing them to learn long-horizon decision-making strategies. However, existing pipelines face a critical challenge in balancing task performance with user engagement, as passive agents cannot efficiently adapt to users' intentions while overuse of human feedback increases the burden on users, which forms a Pareto Frontier between these two objectives. To push forward this frontier, we propose Behavior Agentic Optimization (BAO), an agentic RL framework that enhances and regularizes inter-turn behaviors to improve information-gathering capabilities and suppress inefficient or redundant interactions with users. We evaluate BAO on multiple tasks from the UserRL benchmark suite and demonstrate that it substantially outperforms proactive agentic RL baselines in terms of both higher task performance and lower user efforts, while achieving comparable or even superior performance to commercial LLM agents, highlighting its effectiveness for training proactive, user-centric LLM agents in complex multi-turn scenarios. Our website: https://proactive-agentic-rl.github.io/.
Authors: Yannick Assogba, Jacopo Cortellazzi, Javier Abad, Pau Rodriguez, Xavier Suau, Arno Blaas
Abstract: Jailbreak attacks remain a persistent threat to large language model safety. We propose Context-Conditioned Delta Steering (CC-Delta), an SAE-based defense that identifies jailbreak-relevant sparse features by comparing token-level representations of the same harmful request with and without jailbreak context. Using paired harmful/jailbreak prompts, CC-Delta selects features via statistical testing and applies inference-time mean-shift steering in SAE latent space. Across four aligned instruction-tuned models and twelve jailbreak attacks, CC-Delta achieves comparable or better safety-utility tradeoffs than baseline defenses operating in dense latent space. In particular, our method clearly outperforms dense mean-shift steering on all four models, and particularly against out-of-distribution attacks, showing that steering in sparse SAE feature space offers advantages over steering in dense activation space for jailbreak mitigation. Our results suggest off-the-shelf SAEs trained for interpretability can be repurposed as practical jailbreak defenses without task-specific training.
Authors: Hila Manor, Rinon Gal, Haggai Maron, Tomer Michaeli, Gal Chechik
Abstract: Visual analogy learning enables image editing via demonstration rather than textual description, allowing users to specify complex transformations difficult to articulate in words. Given a triplet $\{\mathbf{a}$, $\mathbf{a}'$, $\mathbf{b}\}$, the goal is to generate $\mathbf{b}'$ such that $\mathbf{a} : \mathbf{a}' :: \mathbf{b} : \mathbf{b}'$. Recent methods adapt text-to-image models with a single Low-Rank Adaptation (LoRA) module, but they face a fundamental limitation: attempting to capture the diverse space of visual transformations within a fixed module constrains generalization. Inspired by recent work showing that LoRAs in constrained domains span meaningful, interpolatable semantic spaces, we propose LoRWeB, which specializes the model for each analogy task in a single inference pass. LoRWeB dynamically composes learned transformation primitives, informally, choosing a point in a "space of LoRAs". We introduce two key components: (1) a learnable basis of LoRAs to span the space of different visual transformations, and (2) a lightweight encoder that dynamically weighs these basis LoRAs given the input analogy pair. Comprehensive evaluations demonstrate state-of-the-art performance and significantly improved generalization to unseen transformations. Our findings suggest LoRA basis decompositions are a promising direction for flexible visual manipulation tasks. See https://research.nvidia.com/labs/par/lorweb for code.
Authors: Yu Xie, Ludwig Winkler, Lixin Sun, Sarah Lewis, Adam E. Foster, Jos\'e Jim\'enez Luna, Tim Hempel, Michael Gastegger, Yaoyi Chen, Iryna Zaporozhets, Cecilia Clementi, Christopher M. Bishop, Frank No\'e
Abstract: The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that generate independent samples from complex molecular distributions, eliminating the cost of sampling rare transition events. However, a sampling problem remains when computing observables that rely on states which are rare in equilibrium, for example folding free energies. Here, we introduce enhanced diffusion sampling, enabling efficient exploration of rare-event regions while preserving unbiased thermodynamic estimators. The key idea is to perform quantitatively accurate steering protocols to generate biased ensembles and subsequently recover equilibrium statistics via exact reweighting. We instantiate our framework in three algorithms: UmbrellaDiff (umbrella sampling with diffusion models), MetaDiff (a batchwise analogue for metadynamics), and $\Delta$G-Diff (free-energy differences via tilted ensembles). Across toy systems, protein folding landscapes and folding free energies, our methods achieve fast, accurate, and scalable estimation of equilibrium properties within GPU-minutes to hours per system-closing the rare-event sampling gap that remained after the advent of diffusion-model equilibrium samplers.
Authors: Shafkat Farabi, Didac Marti Pinto, Wei Lu, Manuel Ramos-Maqueda, Sanmay Das, Antoine Deeb, Anja Sautmann
Abstract: Motivated by the problem of assigning mediators to cases in the Kenyan judicial system, we study an online resource allocation problem where incoming tasks (cases) must be immediately assigned to available, capacity-constrained resources (mediators). The resources differ in their quality, which may need to be learned. In addition, resources can only be assigned to a subset of tasks that overlaps to varying degrees with the subset of tasks other resources can be assigned to. The objective is to maximize task completion while satisfying soft capacity constraints across all the resources. The scale of the real-world problem poses substantial challenges, since there are over 2000 mediators, and a multitude of combinations of geographic locations (87) and case types (12) that each mediator is qualified to work on. Together, these features-unknown quality of new resources (newly onboarded mediators), soft capacity constraints (due to the mandate to assign cases without delay), and high-dimensional state space-make existing scheduling and resource allocation algorithms either inapplicable or inefficient. We formalize the problem in a tractable manner, using a quadratic program formulation for assignment and a multi-agent bandit style framework for learning. We demonstrate the key properties and advantages of our new algorithm, SMaRT (Selecting Mediators that are Right for the Task), compared with baselines on some stylized instances of the mediator allocation problem. We then turn to considering its application to real-world data on cases and mediators from the Kenyan Judiciary. SMaRT outperforms baselines and allows for controlling the tradeoff between the strictness of the capacity constraints and overall case resolution rates, both in situations where mediator quality is known beforehand and when the problem is bandit-like in that learning is part of the problem definition.
Authors: Gaia A. Bertolino, Yuwei Zhang, Tong Xia, Domenico Talia, Cecilia Mascolo
Abstract: As conversational multimodal AI tools are increasingly adopted to process patient data for health assessment, robust benchmarks are needed to measure progress and expose failure modes under realistic conditions. Despite the importance of respiratory audio for mobile health screening, respiratory audio question answering remains underexplored, with existing studies evaluated narrowly and lacking real-world heterogeneity across modalities, devices, and question types. We hence introduce the \textbf{Respiratory-Audio Question-Answering (RA-QA) benchmark}, including a standardized data generation pipeline, a comprehensive multimodal QA collection, and a unified evaluation protocol. RA-QA harmonizes public RA datasets into a collection of 9 million format-diverse QA pairs covering diagnostic and contextual attributes. We benchmark general audio-language models as well as domain-specific architectures, establishing reproducible reference points and showing how current approaches fail under heterogeneity.
Authors: Nghia Phan, Rong Jin, Gang Liu, Xiao Dong
Abstract: Automatic Chord Recognition (ACR) is constrained by the scarcity of aligned chord labels, as well-aligned annotations are costly to acquire. At the same time, open-weight pre-trained models are more accessible than their proprietary training data. In this work, we present a two-stage training pipeline that leverages pre-trained models together with unlabeled audio. The proposed method decouples training into two stages. In the first stage, we use a pre-trained BTC model as a teacher to generate pseudo-labels for over 1,000 hours of diverse unlabeled audio and train a student model solely on these pseudo-labels. In the second stage, the student is continually trained on ground-truth labels as they become available. To prevent catastrophic forgetting of the representations learned in the first stage, we apply selective knowledge distillation (KD) from the teacher as a regularizer. In our experiments, two models (BTC, 2E1D) were used as students. In Stage 1, using only pseudo-labels, the BTC student achieves about 99% of the teacher's performance, while the 2E1D model achieves about 97% across seven standard mir_eval metrics. After a single training run for both students in Stage 2, the resulting BTC student model consistently surpasses both the traditional supervised learning baseline and the original pre-trained teacher model across all metrics. The resulting 2E1D student model also outperforms the supervised baseline and approaches teacher-level performance, with both models demonstrating significant gains on rare chord qualities.
Authors: Mame Diarra Toure, David A. Stephens
Abstract: In safety-critical classification, the cost of failure is often asymmetric, yet Bayesian deep learning summarises epistemic uncertainty with a single scalar, mutual information (MI), that cannot distinguish whether a model's ignorance involves a benign or safety-critical class. We decompose MI into a per-class vector $C_k(x)=\sigma_k^{2}/(2\mu_k)$, with $\mu_k{=}\mathbb{E}[p_k]$ and $\sigma_k^2{=}\mathrm{Var}[p_k]$ across posterior samples. The decomposition follows from a second-order Taylor expansion of the entropy; the $1/\mu_k$ weighting corrects boundary suppression and makes $C_k$ comparable across rare and common classes. By construction $\sum_k C_k \approx \mathrm{MI}$, and a companion skewness diagnostic flags inputs where the approximation degrades. After characterising the axiomatic properties of $C_k$, we validate it on three tasks: (i) selective prediction for diabetic retinopathy, where critical-class $C_k$ reduces selective risk by 34.7\% over MI and 56.2\% over variance baselines; (ii) out-of-distribution detection on clinical and image benchmarks, where $\sum_k C_k$ achieves the highest AUROC and the per-class view exposes asymmetric shifts invisible to MI; and (iii) a controlled label-noise study in which $\sum_k C_k$ shows less sensitivity to injected aleatoric noise than MI under end-to-end Bayesian training, while both metrics degrade under transfer learning. Across all tasks, the quality of the posterior approximation shapes uncertainty at least as strongly as the choice of metric, suggesting that how uncertainty is propagated through the network matters as much as how it is measured.
Authors: Advaith Maddipatla, Anar Rzayev, Marco Pegoraro, Martin Pacesa, Paul Schanda, Ailie Marx, Sanketh Vedula, Alex M. Bronstein
Abstract: Protein function relies on dynamic conformational ensembles, yet current generative models like AlphaFold3 often fail to produce ensembles that match experimental data. Recent experiment-guided generators attempt to address this by steering the reverse diffusion process. However, these methods are limited by fixed sampling horizons and sensitivity to initialization, often yielding thermodynamically implausible results. We introduce a general inference-time optimization framework to solve these challenges. First, we optimize over latent representations to maximize ensemble log-likelihood, rather than perturbing structures post hoc. This approach eliminates dependence on diffusion length, removes initialization bias, and easily incorporates external constraints. Second, we present novel sampling schemes for drawing Boltzmann-weighted ensembles. By combining structural priors from AlphaFold3 with force-field-based priors, we sample from their product distribution while balancing experimental likelihoods. Our results show that this framework consistently outperforms state-of-the-art guidance, improving diversity, physical energy, and agreement with data in X-ray crystallography and NMR, often fitting the experimental data better than deposited PDB structures. Finally, inference-time optimization experiments maximizing ipTM scores reveal that perturbing AlphaFold3 embeddings can artificially inflate model confidence. This exposes a vulnerability in current design metrics, whose mitigation could offer a pathway to reduce false discovery rates in binder engineering.
Authors: Avinash Reddy, Thayne T. Walker, James S. Ide, Amrit Singh Bedi
Abstract: Large language models (LLMs) are increasingly used to generate executable outputs, JSON objects, and API calls, where a single syntax error can make the output unusable. Constrained decoding enforces validity token-by-token via masking and renormalization, but it can distort generation when the model assigns low probability mass to valid continuations, pushing decoding toward locally valid yet semantically incorrect trajectories. We propose \emph{Draft-Conditioned Constrained Decoding (DCCD)}, a simple two-step, training-free inference procedure that decouples semantic planning from structural enforcement: an unconstrained draft is generated first, and constrained decoding is then applied, conditioned on this draft, to guarantee validity. We analyze DCCD through a KL-projection view, showing that draft conditioning increases feasible mass and reduces the cumulative "projection tax" induced by hard constraints, with an optional best-of-$K$ draft selection. Across structured reasoning benchmarks, DCCD improves strict structured accuracy by up to +24 percentage points over standard constrained decoding (e.g., 15.2\% to 39.0\% on GSM8K with a 1B model), and enables smaller model pairs to match or exceed much larger constrained baselines, yielding substantial gains in parameter efficiency.
Authors: Andy Li, Aiden Durrant, Milan Markovic, Georgios Leontidis
Abstract: Vision Transformers require significant computational resources and memory bandwidth, severely limiting their deployment on resource-constraint hardware. Most structured pruning methods reduce theoretical cost effectively, yet they typically operate at a single structural granularity and depend on multi-stage pipelines with importance ranking, auxiliary solvers or post-hoc magnitude thresholding, followed by a separate fine-tuning phase to recover accuracy. We propose Hierarchical Auto-Pruning (HiAP), which casts ViT pruning as a single budget-aware learning problem and jointly allocates sparsity across four granularities in one end-to-end phase. HiAP introduces stochastic Gumbel-Sigmoid gates at macro level (attention heads and FFN blocks) and micro level (intra-head dimensions and FFN neurons), and optimizes them against the task loss together with an analytical MAC cost term. The budget coefficient steers the network to a target compute level while the gates gradually harden into a dense, smaller sub-network at convergence. It does not require importance heuristics, ranking metrics, auxillary solvers or secondary fine-tuning. On ImageNet with DeiT small, HiAP automatically discovers hetergenous architectures, pruning depths, heads, and width by different amount across layers, and reaches competitive accuracies against substantially more complex pruning pipelines at comparable compute from a single training run.
Authors: Leonardo Bardi, Imma Valentina Curato, Lorenzo Proietti
Abstract: We present a theory-guided generalized Bayesian methodology for spatio-temporal raster data, which we use to train an ensemble of stochastic feed-forward neural networks with Gaussian-distributed weights. The methodology incorporates the dependence and causal structure of a spatio-temporal Ornstein-Uhlenbeck process into training and inference by enforcing constraints on the design of the data embedding and the related optimization routine. In inference mode, the networks are employed to generate causal ensemble forecasts by applying different initial conditions at different horizons. We call this workflow MMAF-guided learning. Experiments conducted on both synthetic and real data demonstrate that our forecasts remain calibrated across multiple time horizons. Moreover, we show that on such data, shallow feed-forward architectures can achieve performance comparable to, and in some cases better than, convolutional or diffusion deep learning architectures used in probabilistic forecasting tasks.
Authors: Gregory N. Frank
Abstract: We localize the policy routing mechanism in alignment-trained language models. An intermediate-layer attention gate reads detected content and triggers deeper amplifier heads that boost the signal toward refusal. In smaller models the gate and amplifier are single heads; at larger scale they become bands of heads across adjacent layers. The gate contributes under 1% of output DLA, yet interchange testing (p < 0.001) and knockout cascade confirm it is causally necessary. Interchange screening at n >= 120 detects the same motif in twelve models from six labs (2B to 72B), though specific heads differ by lab. Per-head ablation weakens up to 58x at 72B and misses gates that interchange identifies; at scale, interchange is the only reliable audit. Modulating the detection-layer signal continuously controls policy from hard refusal through evasion to factual answering. On safety prompts the same intervention turns refusal into harmful guidance, showing that the safety-trained capability is gated by routing, not removed. Thresholds vary by topic and by input language, and the circuit relocates across generations within a family even while behavioral benchmarks register no change. Routing is early-commitment: the gate fires at its own layer before deeper layers finish processing the input. An in-context substitution cipher collapses gate interchange necessity by 70 to 99% across three models, and the model switches to puzzle-solving rather than refusal. Injecting the plaintext gate activation into the cipher forward pass restores 48% of refusals in Phi-4-mini, localizing the bypass to the routing interface. A second method, cipher contrast analysis, uses plain/cipher DLA differences to map the full cipher-sensitive routing circuit in O(3n) forward passes. Any encoding that defeats detection-layer pattern matching bypasses the policy regardless of whether deeper layers reconstruct the content.
Authors: Xiangyue Liu, Zijian Zhang, Miles Yang, Zhao Zhong, Liefeng Bo, Ping Tan
Abstract: Empowering Large Multimodal Models (LMMs) with image generation often leads to catastrophic forgetting in understanding tasks due to severe gradient conflicts. While existing paradigms like Mixture-of-Transformers (MoT) mitigate this conflict through structural isolation, they fundamentally sever cross-modal synergy and suffer from capacity fragmentation. In this work, we present Symbiotic-MoE, a unified pre-training framework that resolves task interference within a native multimodal Mixture-of-Experts (MoE) Transformers architecture with zero-parameter overhead. We first identify that standard MoE tuning leads to routing collapse, where generative gradients dominate expert utilization. To address this, we introduce Modality-Aware Expert Disentanglement, which partitions experts into task-specific groups while utilizing shared experts as a multimodal semantic bridge. Crucially, this design allows shared experts to absorb fine-grained visual semantics from generative tasks to enrich textual representations. To optimize this, we propose a Progressive Training Strategy featuring differential learning rates and early-stage gradient shielding. This mechanism not only shields pre-trained knowledge from early volatility but eventually transforms generative signals into constructive feedback for understanding. Extensive experiments demonstrate that Symbiotic-MoE achieves rapid generative convergence while unlocking cross-modal synergy, boosting inherent understanding with remarkable gains on MMLU and OCRBench.
Authors: Zijian Liang, Kai Niu, Changshuo Wang, Jin Xu, Ping Zhang
Abstract: The fundamental limit of natural signal compression has traditionally been characterized by classical rate-distortion (RD) theory through the tradeoff between coding rate and reconstruction distortion, while the rate-distortion-perception (RDP) framework introduces a divergence-based measure of perceptual quality as a modeling principle, leaving its theoretical origin unclear. In this paper, motivated by a synonymity-based semantic information perspective, we reformulate perceptual reconstruction as recovering any admissible sample within an ideal synonymous set (synset) associated with the source, rather than the source sample itself, and establish a synonymous source coding architecture. On this basis, we develop a synonymous variational inference (SVI) analysis framework with a synonymous variational lower bound (SVLBO) for tractable analysis of synset-oriented compression. Within this framework, we establish a synonymity-perception consistency principle, showing that optimal identification of semantic information is theoretically consistent with perceptual optimization. Based on this result, we further derive a tight-bound synonymous source coding rate characterization and show that its Jensen-limit relaxation leads to a synonymous rate-distortion-perception form for practical optimization. These analytical results show that the distributional divergence term arises naturally from the synset-based reconstruction objective, clarify its compatibility with existing RDP formulations and classical RD theory, and suggest the potential advantages of synonymous source coding.
Authors: HakGeun Lee, Hyonho Chun
Abstract: This paper studies the identifiability and stability of drifting fields in the framework of Generative Modeling via Drifting. The motivating question is whether a zero-drift equilibrium identifies the target distribution and whether an approximately vanishing drift implies weak distributional convergence. Since the original drifting model employs the Laplace kernel by default, we first analyze why Gaussian score-based arguments fail to apply. This analysis motivates the introduction of companion-elliptic kernel families, which are characterized by a companion potential satisfying an elliptic closure relation. We show that this class naturally contains the Laplace kernel and consists precisely of Gaussian and Mat\'ern kernels with smoothness parameter $\nu>0$. Within this class, we establish field identifiability for arbitrary Borel probability measures on $R^d$: if the drifting field between two such measures vanishes identically, then they must coincide. For stability, we demonstrate that convergence of the field alone does not guarantee weak convergence, since mass may escape to infinity while remaining invisible to the field. Although tightness directly removes this obstruction and restores weak stability, we prove that, even without tightness, every $C_0$-vague cluster point lies exactly on the defect ray $\{cp:0\le c\le1\}$. Consequently, a single scalar $C_0$ observable suffices to detect the missing mass and recover weak convergence.
Authors: Jinlun Zhang, Haoneng Huang, Zishu Zhan, Chunquan Ou
Abstract: Mediation analysis has traditionally focused on outcome-level summary contrasts, such as mean effects, which may obscure substantial distributional changes induced by complex and nonlinear causal mechanisms. We propose Distributional Causal Mediation Analysis (DCMA), a generative learning framework for identifying and estimating treatment effects on entire outcome distributions transmitted through multiple mediators. DCMA learns conditional generative models for the mediators and the outcome, recovering the relevant conditional distributions from observational data. Leveraging the identification formulas, it reconstructs interventional outcome distributions via Monte Carlo forward simulation by noise resampling, enabling the capture of both classical summary effects and rich distributional contrasts such as energy distance and the Wasserstein distance. Analytical error bounds are derived to decompose how estimation errors in the learned conditional models propagate to the reconstructed interventional outcome distributions. The empirical effectiveness of DCMA is demonstrated through numerical experiments and real-world data applications.
Authors: Brian Keith-Norambuena, Juan Bekios-Calfa
Abstract: We provide a unified theoretical analysis of Linear Discriminant Analysis with simultaneous multilabel scatter matrix formulations and Stiefel orthogonality constraints. Our contributions span both algebraic structure and statistical guarantees. On the algebraic side, we characterize the rank of the multilabel between-class scatter matrix, showing that the effective discriminant dimensionality can strictly exceed the classical single-label bound of $C-1$; we establish a multilabel partition of variance and prove that all four Fisher objectives are equivalent under the $W^\top S_t^{ML} W = I_r$ constraint while characterizing their divergence under the Stiefel constraint; and we prove a two-sided label-distance preservation bound relating projected distances to Hamming distances in label space. On the statistical side, we establish a finite-sample $O(k_{\max}\sqrt{d\log d/n}/gap_r)$ bound on the subspace estimation error under sub-Gaussian noise with a matching $\Omega(\sigma^2 d/(n\,gap_r))$ minimax lower bound, establishing a near-minimax-optimal rate (matching up to logarithmic and $k_{\max}$ factors) for multilabel discriminant subspace estimation. We further provide high-probability distance concentration, robustness guarantees under label interactions, and a regularization analysis preserving the spectral structure when $d \gg n$. All results are verified numerically on synthetic data generated from the linear label-effect model, covering both the algebraic identities and the multilabel-specific quantities ($k_{\max}$, $\kappa(S_t^{ML})$, $\|\Gamma/n\|_2$, $\Delta_r$) that govern the statistical bounds. The numerical experiments are designed as a sanity check for the theorems rather than as an empirical benchmark; evaluation on real multilabel datasets is left to future work targeting application-oriented venues.
Authors: Himanshu Udupi, Xiaocong Yang, ChengXiang Zhai
Abstract: Spiking Neural Networks (SNNs) have been proposed as biologically plausible and energy-efficient alternatives to conventional Artificial Neural Networks (ANNs). However, the training of SNN usually relies on surrogate gradients due to the non-differentiability of the spike function, introducing approximation errors that accumulate across layers. To address this challenge, we extend the work on convexification of parallel feedforward threshold networks to parallel recurrent threshold networks, which subsume parallel SNNs as a structured special case. Building on this theoretical framework, we propose a parameter reconstruction algorithm for SNN training that demonstrates consistent and significant advantages across various tasks, both as a standalone method and in combination with surrogate-gradient training. The ablations further demonstrate the data scalability and robustness to model configurations of our training algorithm, pointing toward its potential in large-scale SNN training.
Authors: Haejoon Lee, Vincent-Daniel Yun, Dimitra Panagou, Sai Praneeth Karimireddy
Abstract: Large language model (LLM) agents increasingly collaborate over peer-to-peer networks to improve their reliability. However, these same interactions can also become a source of vulnerability, as unreliable or Byzantine agents may sway neighboring agents toward incorrect conclusions and degrade overall system performance. Existing methods rely on leader-based coordination or self-reported confidence, both of which are susceptible to adversarial manipulation. We study decentralized LLM multi-agent systems (LLM-MAS) and propose Self-Anchored Consensus (SAC), a fully decentralized iterative filter-and-refine protocol in which agents iteratively exchange responses, locally evaluate and filter unreliable messages, and refine their own outputs. We present $(F{+}1)$-robustness conditions for the communication graph that ensure honest agents preserve and propagate reliable information despite Byzantine influence. Experiments on mathematical and commonsense reasoning benchmarks show that SAC effectively suppresses Byzantine influence and consistently improves performance across diverse communication topologies, whereas prior methods degrade under adversarial conditions.
Authors: Devdan Dey, Sujoy Bhore, Avishek Ghosh
Abstract: We study the $\textit{single-index bandit}$ problem, where rewards depend on an unknown one-dimensional projection of high-dimensional contexts through an unknown reward function. This model extends linear and generalized linear bandits to a nonparametric setting, and is particularly relevant when the reward function is not known in advance. While optimal regret guarantees are known for monotone reward functions, the general non-monotone case remains poorly understood, with the best known bound being $\tilde{\mathcal{O}}(T^{3/4})$ (under standard boundedness and Lipschitz assumptions on the reward function [Kang et al., 2025]). We close this gap by establishing the optimal regret for general single-index bandits. We propose a simple two-phase algorithm, namely, Zoomed Single Index Bandit with Upper Confidence Bound ($\texttt{ZoomSIB-UCB}$), that first estimates the projection direction via a normalized Stein estimator, and then reduces the problem to a one-dimensional bandit using discretization and finally use UCB. This approach achieves a regret of $\tilde{\mathcal{O}}(T^{2/3})$, and improves significantly upon prior work without any additional assumptions. We also prove a matching minimax lower bound of $\tilde{\Omega}(T^{2/3})$, showing that the upper bound is essentially tight. Our upper and lower bounds together provide a sharp characterization of the regret in single-index bandits. Moreover, the empirical results further demonstrate the effectiveness and robustness of our approach.
Authors: Zijie Wu, Lixin Xu, Puhua Jiang, Sicong Liu, Chunchao Guo, Xiang Bai
Abstract: Video-guided 3D animation holds immense potential for content creation, offering intuitive and precise control over dynamic assets. However, practical deployment faces a critical yet frequently overlooked hurdle: the pose misalignment dilemma. In real-world scenarios, the initial pose of a user-provided static mesh rarely aligns with the starting frame of a reference video. Naively forcing a mesh to follow a mismatched trajectory inevitably leads to severe geometric distortion or animation failure. To address this, we present Rectified Dynamic Mesh (R-DMesh), a unified framework designed to generate high-fidelity 4D meshes that are ``rectified'' to align with video context. Unlike standard motion transfer approaches, our method introduces a novel VAE that explicitly disentangles the input into a conditional base mesh, relative motion trajectories, and a crucial rectification jump offset. This offset is learned to automatically transform the arbitrary pose of the input mesh to match the video's initial state before animation begins. We process these components via a Triflow Attention mechanism, which leverages vertex-wise geometric features to modulate the three orthogonal flows, ensuring physical consistency and local rigidity during the rectification and animation process. For generation, we employ a Rectified Flow-based Diffusion Transformer conditioned on pre-trained video latents, effectively transferring rich spatio-temporal priors to the 3D domain. To support this task, we construct Video-RDMesh, a large-scale dataset of over 500k dynamic mesh sequences specifically curated to simulate pose misalignment. Extensive experiments demonstrate that R-DMesh not only solves the alignment problem but also enables robust downstream applications, including pose retargeting and holistic 4D generation.
Authors: Yunsong Fang, Tingyu Wang, Zhedong Zheng
Abstract: Drone-view geo-localization aims to match a query drone image, often captured under adverse weather conditions (e.g., rain, snow, fog), against a gallery of geo-tagged satellite images. Weather-induced degradations in the drone view, such as noise, reduced visibility, and partial occlusions, severely exacerbate the intrinsic cross-view domain gap. While prior methods predominantly rely on weather-specific architectures or data augmentations, they have largely overlooked road map data, a readily available modality that provides strong, inherently weather-invariant geometric layout cues (e.g., road networks and building footprints) at negligible additional cost. We introduce GeoFuse, a cross-modal fusion framework that integrates precisely aligned road map tiles with satellite imagery to yield more discriminative and weather-resilient representations. We first augment the existing University-1652 and DenseUAV benchmarks with geo-aligned road maps, supplying structural priors robust to meteorological variations. Building on this, we propose a flexible fusion module that combines satellite and road map features via token-level and channel-level interactions, with a lightweight dynamic gating mechanism that adaptively weights modality contributions per instance. Finally, we employ class-level cross-view contrastive learning to promote robust alignment between weather-degraded drone features and the fused satellite-roadmap representations. Extensive experiments under diverse weather conditions show that GeoFuse consistently outperforms state-of-the-art methods, achieving +3.46% and +23.18% Recall@1 accuracy on the University-1652 and DenseUAV benchmarks, respectively.
Authors: Mikael Turkoglu, Tim Bary, Vincent Thielens, Manon Dausort, Beno\^it Macq
Abstract: While high-capacity AI models have advanced state-of-the-art performance, their practical deployment is often hindered by high inference costs, environmental impact, and a "one-size-fits-all" approach that ignores varying sample complexity. In clinical settings for instance, the waste of computational resources on routine cases is a significant barrier to sustainable AI. In this paper, we introduce the Conformal Adaptive Decision System (CADS), a sequential multi-model algorithm designed to optimize resource allocation by efficiently sampling models based on the estimated data complexity. CADS leverages conformal prediction to quantify image uncertainty at runtime. CADS provides a mathematically grounded framework for balancing the cost-accuracy dilemma that dynamically routes samples through a model cascade, ranging from lightweight "Scout" models to high-capacity "Oracle" architectures. Validated on two datasets, CADS demonstrated superior efficiency and accuracy at a computational cost that can be up to 12 times lower than heavy-model inference. By accurately routing samples based on real-time complexity, CADS ensures high diagnostic reliability while drastically reducing the economic and environmental footprint of AI.
Authors: Andrea Ferrario
Abstract: The EU Artificial Intelligence Act (AIA) establishes a lifecycle governance regime for high-risk AI systems built around ex-ante conformity assessment, post-market monitoring, and re-assessment upon "substantial modification." These obligations presuppose AI identity judgments: regulators and providers must decide when an updated system remains the same system over time. In this work, we show how this logic is clarified by the function+ framework of artifact identity, which individuates AI systems by their intended function together with context-sensitive criteria of appropriate functioning, captured as "AI trustworthiness." We further argue that the AIA does not provide an internal, auditable criterion for synchronic identity--when two AI systems at a given time should count as the same for regulatory purposes--and instead largely defers such sameness determinations to sectoral or harmonization instruments. function+ supplies a synchronic identity test anchored in intended function and trustworthiness profiles and levels, making synchronic identity decisions inspectable in governance settings such as procurement, liability, and market surveillance. Our contribution is a conceptual and auditing lens: we provide a correspondence map between AIA lifecycle obligations and function+ identity components, and we make the synchronic case operationally legible via a minimal decision flow for audit and dispute contexts. We conclude with two implementation-facing recommendations: (1) more precise, testable reporting of intended purpose, and (2) standardized, auditable trustworthiness reporting that supports comparability over time and across deployments.
Authors: Siamak K. Sorooshyari, Manuel A. Rivas, Robert Tibshirani
Abstract: Despite being ubiquitous in science, clustering lacks a unified framework for quantitatively evaluating the replicability of its results. We present evaluating replicability via iterative clustering assignments (ERICA), a method for determining whether clusters can be identified reproducibly in a dataset. The pipeline computes a statistic that determines whether reproducible cluster structure is present in a dataset. Quantitative visualization methods are also introduced to characterize similarities between clusters and identify observations that may represent outliers or unstable assignments. Experiments on synthetic datasets demonstrate that ERICA successfully identifies reproducible cluster structure. In contrast, application of ERICA to three breast cancer gene-expression datasets reveals instances in which clustering solutions are not reproducible. The study underscores the importance of rigorously evaluating clustering solutions and provides a practical framework for doing so.
Authors: Vladimir Beskorovainyi
Abstract: Consumer-price measurement increasingly draws on alternative data sources -- scanner, web-scraped, and transaction/receipt data -- whose product descriptions are short, noisy, and carry no standard product code, so each item must first be mapped to a consumption classification (e.g., the UN COICOP scheme) before prices can be compared. This paper studies that mapping as a general, reproducible method. The pipeline is: (i) text normalization and tokenization of noisy item names; (ii) a prefix-tree (trie) rule-based pre-classifier driven by per-category key-phrases and stop-phrases; and (iii) a per-category binary confirmation model. For labels at scale we use a human-in-the-loop protocol in which annotators give a binary valid/reject judgment aggregated by a dynamically updated reliability weight; the model joins the same rule, enabling continual fine-tuning. On a reproducible synthetic benchmark of six COICOP-like categories, under one matched protocol, cheap models win and order-sensitive ones do not help: a character n-gram logistic regression tops every category (mean F1 = 0.997), word-order features add nothing, and small CNN/LSTM models are the weakest in this small-data regime. The trie alone admits only 32-50% of items, so the learned stage is necessary, and about 66 labels per category suffice. A Monte-Carlo study of the labeling protocol is self-critical: the reliability-weighted vote barely beats plain majority while Dawid-Skene recovers labels markedly better. No proprietary or production data are used; all code and synthetic data are released at https://doi.org/10.5281/zenodo.20909563
Authors: Jong-Ik Park, Shreyas Chaudhari, Jos\'e M. F. Moura, Carlee Joe-Wong
Abstract: Randomized smoothing (RS) certifies robustness in the vector space where Gaussian noise is added. In audio classification, this space is often not uniquely defined as standard pipelines normalize, range-control, and transform waveforms into log-mel or other spectral features. We show that direct RS is therefore under-specified unless the certified object and preprocessing policy are explicit. On two audio benchmarks, keyword spotting and environmental-sound classification, we study waveform, feature-space, and post-processed smoothing. Our diagnostics show why representation-aware reporting is necessary: at the same smoothing level $\sigma=0.0025$, the two datasets share the same median raw radius $.007996$, but different waveform energies yield different SNR-equivalent scales ($83.98$ vs. $90.97$ dB); log-mel smoothing gives higher positive-radius certified accuracy on environmental sounds ($68.42\%$ vs. $65.53\%$), certifying more examples with nonzero radius but over features rather than waveforms; and clipping or peak normalization changes the effective perturbation norm by roughly $230$--$351\times$. We therefore recommend that audio RS studies choose and report the task-specific certified object and perturbation model, including the perturbation location, gain policy, raw radius, and any post-noise geometry changes.
Authors: Na\"il B. Khelifa, Richard E. Turner, Ramji Venkataramanan
Abstract: Score-based diffusion models are typically trained by minimizing the $L^2$ score matching error, and standard theoretical analyses rely on this quantity to bound the sampling discrepancy between the learned and target distributions. We show the $L^2$ score error is not the right intrinsic measure of marginal distributional quality: a learned diffusion model can incur arbitrarily large $L^2$ score error while perfectly matching the target distribution. By decomposing score errors into a gradient and a solenoidal component (a Helmholtz-Hodge decomposition), we identify the geometric reason behind this: only the gradient component enters the marginal Fokker-Planck dynamics, while the solenoidal component is structurally invisible. We make this precise in three results. First, building on the corrected geometry, we prove an impossibility result: no monotone function of the $L^2$ score error can uniformly lower bound any divergence between the learned and target distributions. Second, we derive an upper bound on the Kullback-Leibler divergence that depends only on the observable gradient component of the error, tightening the standard Girsanov bound for generic score networks, and identifying its looseness as the cost of operating on path-space rather than marginal-space dynamics. Third, we give a tractable estimator of the gradient component via a dual Sobolev identity, which is shown to empirically correlate substantially better with sample quality than the full $L^2$ error.
Authors: Jianru Shen
Abstract: Retrieval-Augmented Generation (RAG) reduces but does not eliminate hallucination in large language models. Existing detection methods rely on flat similarity between generated answers and retrieved passages, ignoring structural relationships among evidence pieces and answer claims. We propose Evidence Graph Consistency (EGC), a framework that constructs a local evidence graph per response and computes five structural consistency measures as hallucination indicators. Evaluated on the full question answering split of RAGTruth across six LLMs (5,767 responses), EGC reveals a consistent model-family split: graph consistency features show the expected diagnostic direction for hallucinations in Llama-2 models but exhibit systematic reversal in GPT-4, GPT-3.5, and Mistral-7B. This reversal suggests qualitatively different hallucination patterns across model families and indicates that embedding-based graph consistency cannot serve as a model-independent hallucination detection signal.
Authors: Moshe Mandel, Shlomo E. Chazan
Abstract: We present a voice conversion (VC) framework that utilizes K-Nearest Neighbors (KNN) retrieval over WavLM representations to align non-parallel source and target speech, constructing synthetic training pairs for supervised learning. The retrieved segments serve as synthetic inputs, while real target audio provides ground-truth outputs, forming a synthetic-to-real training paradigm that naturally supports multilingual data without requiring parallel corpora or explicit alignment. To ensure consistent target-speaker identity, we incorporate a speaker loss derived from a pretrained speaker verification model. Experiments across multiple languages demonstrate that the proposed approach achieves high naturalness and strong speaker similarity, outperforming competitive VC baselines, despite being trained exclusively on English data. Samples can be accessed at: https://palindromic-vc.github.io.
Authors: Philipp Schmocker, Josef Teichmann
Abstract: We generalize the universal approximation theorem for functional input neural networks (FNN) to differentiable maps by including the approximation of the derivatives. A FNN maps the input from a possibly infinite-dimensional weighted manifold to the real-valued hidden layer, on which a non-linear scalar activation function is applied, and then returns the output into a Banach space via some linear readouts. By proving a weighted Nachbin theorem, we establish a universal approximation theorem for differentiable maps, which goes beyond the usual formulation on compact sets and also includes the approximation of the derivatives. This leads us to approximation results for non-anticipative functionals including the horizontal and vertical derivatives. As a further application, we show that linear functions of the signature are able to approximate path space functionals including their directional derivatives.
Authors: Miracle Kang, Lights Shi, Lucy Liang, Roy Gan, Dongxiu Liu, Pushi Zhang, Sylas Chen, Shawn Qin, Yinan Zheng, Jinliang Zheng, Hao Wang, Xianyuan Zhan, Hang Su
Abstract: Modern Vision-Language-Action (VLA) models must bridge pretrained vision-language reasoning and precise continuous robot control. Existing action tokenizers discretize actions primarily for reconstruction, producing codes that preserve motion geometry but provide only weak semantic supervision to the backbone. We therefore formulate action tokenization not as mere compression, but as semantic interface learning between multimodal reasoning and executable control. To this end, we introduce X-Tokenizer, a lightweight encoder-Semantic Residual Quantization (SRQ)-decoder architecture that provides a shared action interface across diverse robotic arm embodiments. Its key component, SRQ, imposes an asymmetric structure on residual vector quantization: the first level is trained with Masked Action Modeling (MAM) to form a discrete action language that captures coarse motion intent, while deeper levels remain reconstruction-oriented residuals that preserve fine-grained details. To further align action tokens with multimodal semantics, X-Tokenizer is pretrained with contrastive alignment to the representation space of a pretrained foundation model and with next-frame vision-language feature prediction. Pretrained on 2.4M trajectories (2.0B action frames), a single frozen X-Tokenizer plugs into a mixed discrete-continuous VLA as a representation-shaping supervision signal. X-Tokenizer achieves top real-world aggregate and strong RoboTwin 2.0 simulation results. Outperforming FAST in multimodal grounding (+13.5%) and long-horizon tasks (+8.25), it shows that action tokenizers serve as semantic interfaces for VLA pretraining beyond mere action compression.
Authors: Chris Lee, Xiuli Chao, Izak Duenyas
Abstract: In this paper, we study a sequential workforce management problem in a contingent labor setting with uncertainty in both worker production and labor supply. A firm seeks to maximize cumulative profit by maintaining an active team of fixed size while learning worker productivity over time. We emphasize two critical operational frictions in this problem: replacing workers is costly, and workers may not be available immediately for hiring because of, for example, prior job commitments, scheduling constraints, or onboarding procedures. Thus, hiring decisions take effect only after a random delay. We formulate this problem as a stochastic multi-play bandit with costly switching and delayed actions, and develop a learning-based hiring policy, DR-UCB (DelayedReplacement-UCB), that makes replacement and hiring decisions sequentially through learning cycles. In each cycle, the policy uses real-time production data to determine when to initiate workforce changes and which workers to replace and hire. We show that the leading-order regret of the proposed policy matches its lower bound in its dependence on the time horizon. Our numerical experiments show that DR-UCB outperforms benchmark policies.
Authors: Wenqin Liu, Weizhi Quan, Aoqi Zuo, Erdun Gao, Vu Nguyen, Dino Sejdinovic, Howard Bondell, Mingming Gong
Abstract: Data valuation quantifies the intrinsic quality of individual samples to enable principled data curation, quality control, and robust learning. For time series in critical domains such as healthcare, finance, and industrial monitoring, effective valuation methods are essential yet fundamentally lacking. Existing approaches are either model-dependent, limiting their generalizability, or designed for i.i.d. data and thus fail to capture temporal dependencies, multi-scale patterns, and non-stationary dynamics inherent to sequential data. We introduce TimeLAVA, a learning-agnostic framework that values temporal segments by their marginal contribution to minimizing distributional discrepancy between evaluated and reference data. At its core is a novel Selective Wavelet-based Wasserstein discrepancy combining multi-scale wavelet transforms for temporal localization with unbalanced optimal transport for robustness to distributional shifts. Segment values are efficiently computed via sensitivity analysis without requiring model training and aggregated into point-wise scores. We provide theoretical guarantees linking valuation to model-agnostic generalization and prove bounded sensitivity to outlier contamination. Extensive experiments across anomaly detection, data pruning, and label noise detection demonstrate that TimeLAVA produces significantly more informative value scores than existing methods on diverse real-world datasets.
Authors: Mingzhi Song
Abstract: We develop finite-sample certificates for local population-risk increments \(P\delta_v=R(\theta_0+v)-R(\theta_0)\), \(v\in\mathcal D\). The primitive object is an expected-valid upper endpoint \(\widehat{\mathsf U}_{\mathcal D}\) satisfying \(\mathbb E\sup_{v\in\mathcal D} \{P\delta_v-\widehat{\mathsf U}_{\mathcal D}(v)\}\le0\). This uniform criterion certifies any measurable update selected from the same sample and allows penalties to depend on empirical geometry. The main construction is a cross-fitted ridge calibration for linear feature classes. A pilot fold learns the ridge metric, the complementary fold calibrates the squared mean error in that metric, and complete split averaging recovers the full empirical covariance in the directional quadratic form \(\widehat q_{X,\lambda}\). The optimized diagnostic scale is \(\{\widehat q_{X,\lambda}(h) \widehat r_{X,n_{\rm p},\lambda}^{\rm cf}/n\}^{1/2}\), and the calibrated trace factor \(\widehat r_{X,n_{\rm p},\lambda}^{\rm cf}\) is compared with the ordinary ridge effective dimension \(\widehat r_{X,\lambda}\). For nonsmooth losses, an exact fixed-mask decomposition \(\delta_v=J_v^0+R_v^\circ+C_v\) separates frozen Taylor fluctuations, good-path remainders, and interface crossings. Applying the linear and composite certificates componentwise yields endpoints for same-sample expected local search and concentrated release rules.
Authors: Ashim Dhor, Rasel Mondal, Pin-Yu Chen
Abstract: Convolutional networks, recurrent networks, and transformers each encode different inductive biases -- locality, sequential memory, and content-dependent pairwise interaction -- and have remained mathematically distinct since their inception. We show that this fragmentation reflects not a fundamental diversity in how signals should be processed, but rather incomplete views of a single underlying mathematical object: a learnable integral transform. We introduce the Integral Transform Network (ITNet), a unified architecture built around a learnable kernel that depends jointly on positions and features. This kernel is implemented as a small neural network, specifically an MLP, that models pairwise interactions, enabling the model to adapt its behavior from data. We show that convolution, self-attention (including multi-head), and autoregressive recurrence (including LSTM, GRU, S4, and Mamba) arise as special cases under appropriate parameterizations, and that ITNet is a universal approximator of continuous operators. To make this practical, we develop tiled kernel fusion, importance-weighted Monte Carlo integration, and learned low-rank factorization, enabling efficient and scalable computation. A single ITNet architecture with a shared operator and lightweight modality-specific encoders matches or exceeds specialized baselines on ImageNet-1K , GLUE, ModelNet40, VQA\,v2 and NLVR2. The results demonstrate that a single learned interaction mechanism can recover the behavior of all three architectural families from data.
Authors: Aagam Sogani, Botao Rui, Swetha Vaidyanathan, Rishi Agarwal, Minghao Yan, Shivaram Venkataraman
Abstract: Long-horizon web agents often fail in ways hidden by final-answer evaluation: they may visit useful pages, produce a well-formed answer, and terminate confidently while still missing fields, over-including unsupported items, or relying on stale evidence. We study these failures with Parallel WebBench, a parallel web-exploration benchmark containing 1,679 verified records: 350 manually curated parallel tasks and 1,329 reconstructed records with verified URL-based trajectories. We train WebExplorer-style agents with GRPO under human-only, balanced human-synthetic, and synthetic-heavy data mixtures. At 16k context and 16 interaction rounds, the best GRPO model improves completion over WebExplorer-8B from 50.7% to 96.0% and GPT-4.1-mini-judged element-wise F1 from 0.2489 to 0.4529, but binary accuracy remains far below completion. Trace-level analysis identifies three persistent failure modes: context-bound search loops, premature termination on partial answers, and synthesis collapse after relevant evidence has already been retrieved. These results show that synthetic-data GRPO reduces abstention and improves partial correctness, but leaves a completion-correctness gap that requires evidence-grounded coverage and synthesis diagnostics.
Authors: Alex Costanzino, Pierluigi Zama Ramirez, Giuseppe Lisanti, Luigi Di Stefano
Abstract: Implicit Neural Representations (INRs) have been proven successful in encoding continuous signals through coordinate-based networks, yet facing a spectral dilemma: periodic activations capture fine details but act as all-pass filters that memorise noise, while spatially compact activations regularise effectively but suffer from low-frequency bias. Existing attempts to resolve this trade-off introduce computational overhead or tuning frailty. We propose to model each neuron's activation as the steady-state response of a sinusoidally-forced damped harmonic oscillator, whose amplitude naturally governs the network's spectral selectivity during training. By jointly optimising the oscillator parameters alongside the network weights, our method adapts to the target signal's spectral content without explicit regularisation. Initialised in the stopband, the network exhibits a coarse-to-fine learning curriculum that progressively expands its spectral gate, capturing low-frequency structures first and high-frequency details only when justified by the reconstruction objective. Comprehensive experiments show that our approach consistently achieves state-of-the-art or competitive results against established INRs, while requiring no task-specific tuning of any hyperparameters.
Authors: Krishna Teja Vepa
Abstract: Machine-learning screens for battery materials are trained and judged almost entirely against computed reference voltages, and those references carry their own systematic errors. We report a case in which this matters quantitatively: our own screening stack (a graph-network voltage screen, a prior-art triage layer, and a local PBE+U bench) fails pre-registered validation against experiment-anchored literature values. Verdict thresholds, failure modes, and the primary metric were committed before analysis. On an operator-audited set of known Na-ion cathodes (n = 6 after one documented exclusion; verdict unchanged at n = 7), the raw held-out mean absolute error was 0.67 V, the pre-registered conservative metric, the upper 95% confidence bound of the cross-validated bias-corrected error, was 1.09 V, and the residual was strongly voltage-dependent (r = -0.94), so no additive calibration is valid. On the two compounds where prediction, database reference, and experiment could all be compared, the Materials Project PBE+U reference sat about 0.54 V below measurement: the reference, not the model, dominated the error. A prior-art screen found at least 70% of the targeted Na substitution space already published. We retire the screen, bound what "verified" means for our DFT ledger, and pre-register a calibration audit of it against four benchmark Li couples.
Authors: Alex Kwon
Abstract: A language model's memory can be worse than no memory at all. A memory that keeps a wrong conclusion but drops the work behind it makes the model emit the stale value as a confident answer, where an empty memory would make it abstain; we call this brittle memory. We measure it with reclaim evaluation: compress a drifted interaction at a fixed budget, then test whether a correction recovers the known answer, scored against ground truth with no judge. Correctability is bottlenecked not by capability but by whether the answer-determining source survives compression, so an 8B model and a frontier one wall in the same place. Across eight models a lossy memory is never better than an empty one, and strictly worse on those disposed to answer rather than abstain. A one-line source-first policy, keep the recomputable source and drop the re-derivable conclusion, restores correctability at equal budget where the answer-determining source is compact and identifiable; a length-matched control rules out added text, and a deployable one-prompt form reclaims 0.49-0.88, rising toward the oracle's 1.00 when a frontier model writes the note. The failure compounds through a memory loop and replicates on three deployed memory systems and on real dialogue (MultiWOZ), with a located boundary past which the fix fails silently unless the note records its completeness. This is a controlled study of a mechanism: judge-free exact scoring, matched-budget controls, and validators built to come out false; we release the harness, the paired memory conditions, and these validators.
Authors: Jobst Heitzig
Abstract: A non-agentic "oracle" that reports probabilities of future events is performative: once its answer is learned and acted upon, it can change the very probability it was asked to report. Performativity is not in itself the difficulty -- one consults an oracle precisely in order to be informed, and hence influenced, by it. The difficulty is agency. The requirement that a report be self-consistent, still holding once announced, may be met by many different values -- the classical non-uniqueness of self-fulfilling prophecies -- and any rule the system uses to choose among them is a lever for goal-directed steering. We remove the choice rather than the performativity. Reporting a credal set instead of a single probability distribution, we lift the reaction to an isotone operator on the complete lattice of closed credal sets, whose fixed points are self-consistent, and report its Knaster--Tarski least fixed point as a canonical, rule-determined answer; a variant reports instead the least fixed point that contains every self-consistent point estimate. We prove existence, self-consistency, and nonemptiness; show that the construction reduces to the classical point answer when the question is non-performative; and show that for a binary event the answer is, under a natural hull-factoring assumption, an interval.
Authors: Sayak Dutta
Abstract: Recurrent models must forget in order to remember, yet the state of the art decides what to erase without consulting what is stored -- the gate sees only the arriving token, not the memory it is about to modify. This memory-blind gating is one of three coupled defects in the leading delta-rule architecture (GDN-2): the value-axis erase mask wastes parameters at the scale of the value projection, and -- as we prove -- mathematically prevents the WY-form triangular chunk solver that makes recurrent training competitive with Transformers. We introduce CARVE (Content-Aware Recurrent with Value Efficiency), which resolves all three problems through one principle: erase only on the key axis. This is provably necessary and sufficient for the WY-form solver to remain valid. Within it, CARVE reuses the recurrent output tensor -- already written to GPU memory -- as a free content signal for the erase gate, and replaces the per-value write-gate projection with a single scalar per head. At initialisation CARVE is bit-identical to GDN-2; any quality difference emerges from what the content gate learns. At 1.3B parameters trained on 100B tokens, CARVE achieves WikiText perplexity 15.72 (minus 0.18 vs. GDN-2, a 4.5-sigma effect), leads every recurrent baseline on nine common-sense reasoning benchmarks, and sets state of the art on every RULER retrieval probe -- at 0.4% throughput overhead, 13% lower peak memory, and 19% fewer parameters. Six formal theorems cover memory capacity, Lyapunov stability, gradient flow, expressivity separation, Pareto-optimal chunk size, and hybrid optimality.
Authors: T\=ikun \^Ong, Georg B\"okman
Abstract: Vision transformers have become a dominant architecture for visual recognition. However, standard models do not explicitly encode the planar symmetries that arise in many vision domains. We introduce a family of vision transformers equivariant to arbitrary discrete subgroups of $\mathrm{O}(2)$, providing a unified framework that generalizes prior flipping- and $D_4$-equivariant transformer architectures. Our construction yields equivariant analogues of the core transformer components, together with expressivity guarantees for the resulting layers. In particular, we show that whenever $H \le G$, the class of $G$-equivariant ViTs embeds naturally into the class of $H$-equivariant ViTs. We also prove that, in the single-head setting, the corresponding equivariant self-attention layer realizes every $G$-equivariant self-attention map representable by ordinary self-attention. We further construct a $D_6$-equivariant model based on hexagonal patches, making the architecture compatible with six-fold rotational symmetries. We evaluate the resulting models on the PatternNet aerial image dataset in artificially data-scarce regimes across subgroups of $D_4$ and $D_6$. Our experiments compare two equivariant attention mechanisms and analyze how the choice of homogeneous-space configurations used in the nonlinearities affects performance. Preliminary results under matched parameter budgets indicate that equivariance can improve recognition accuracy, motivating further study of how discrete symmetry groups shape transformer-based visual recognition models.