Authors: Tao Liu, Ye Lu, Ruohua Zhang, Siyu Song, Wentao Liu, Aimin Zhou, Hao Hao
Abstract: Evaluating large language models (LLMs) for education requires measuring how models teach, not only what they know. Existing benchmarks emphasize domain-general correctness or depend on manually designed rubrics that scale poorly to long-tail pedagogical scenarios. We introduce Elmes*, an end-to-end framework for constructing, refining, and applying fine-grained scenario-specific rubrics. Elmes* combines a declarative multi-agent engine for teacher--student--judge interactions with SceneGen, a self-evolving module that co-optimizes evaluation criteria and test data from expert-defined pedagogical dimensions. Using Elmes*, we build Edu-330, covering 330 scenarios across 11 subjects, 3 grade bands, and 10 task types, with over 1{,}000 second-level indicators. Experiments on Edu-330 and four expert-authored gold-standard scenarios show that educational capability is multidimensional: top-tier LLMs differ mainly in creativity and values integration, knowledge-strong models may fail at Socratic scaffolding, and the education-specialized InnoSpark achieves the best human-evaluated average score. LLM judges preserve human-comparable rankings with much lower scoring variance, but exhibit judge-specific biases such as self-preference. Ablations show that expert-scored few-shot anchoring improves human--LLM alignment, while reasoning enforcement and greedy decoding are model-dependent. Elmes* thus provides scalable diagnostic infrastructure for pedagogically grounded LLM evaluation.
Authors: Haoyu Huang, Linlin Yang, Sheng Xu, Boyu Liu, Guodong Guo, Zhongqian Fu, Hang Zhou, Baochang Zhang
Abstract: Diffusion Large Language Models (dLLMs) refine tokens iteratively but commit them irreversibly, leading to a "stability lag" where early decisions remain fragile even after being written. We reveal that Post-Training Quantization (PTQ) error easily flips these borderline decisions at the write frontier, which are then permanently locked in and amplified. To address this, we propose Frontier-Aware Instability-Reweighted Calibration (FAIR-Calib), a two-stage PTQ framework for dLLMs. Stage I probes a full-precision teacher to estimate a position prior that combines frontier hits and masked-stage reliability. Stage II performs off-policy, layer-wise calibration by minimizing a reweighted hidden-state MSE, effectively prioritizing the protection of fragile frontier states without requiring expensive end-to-end diffusion rollouts. We further theoretically justify our weighted objective as a surrogate for output KL divergence. Empirically, FAIR-Calib consistently outperforms state-of-the-art baselines on LLaDA and Dream (W4A4), significantly reducing frontier decision flips and suppressing post-commit mismatches across diverse benchmarks.
Authors: Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor
Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination. Terahertz (THz) spectroscopy offers a promising alternative, providing high-resolution and non-destructive measurements. In this work, we leverage THz signals to classify 12 types of polymers, including pure polymers, multilayer films, commercial blends, and biopolymers. To handle the complexity of these spectral signals, we propose the Multi-Scale Feature Attention Network (MSFAN), a novel deep learning architecture tailored for THz data. The framework integrates feature gating for signal recalibration and multi-scale parallel convolutions to capture diverse frequency patterns. These features are further refined through cross-feature attention and attention pooling, enabling the model to intrinsically highlight the most informative THz regions. MSFAN consistently outperforms state-of-the-art models, reaching a classification accuracy of 85.2%. This study demonstrates the potential of combining THz spectroscopy with deep learning techniques for effective, scalable, and interpretable polymer classification.
Authors: Victor Muryn, Maksym Shamrai, Sofiia Mazepa, Yehor Khodysko
Abstract: Computer-use agents (CUAs) operate graphical user interfaces (GUIs) through vision and control primitives, and their capabilities have advanced rapidly, driven in part by standardized online evaluation benchmarks such as OSWorld, which serve both as evaluation tools and as training environments for reinforcement learning. However, macOS remains underserved in this landscape: the only existing benchmark, macOSWorld, covers a narrow slice of first-party applications with simpler tasks, and runs on x86 virtual machines incompatible with Apple Silicon. We introduce MacArena, a benchmark of 421 manually verified tasks spanning 50 applications that combines a curated port of OSWorld tasks, content sourced from macOSWorld, and 49 new macOS-native tasks, all running on Apple's native Virtualization framework on Apple Silicon. We argue that macOS presents distinct GUI challenges beyond what Linux-based benchmarks capture, and our evaluation supports this claim: strong model performance on existing benchmarks can reflect familiarity with task distributions rather than genuine cross-platform GUI competence. Notably, model rankings invert between ported and macOS-native tasks, with a leading model trailing by over 26% on the MacArena subset, suggesting that macOS poses a genuinely harder environment for current GUI agents.
Authors: Kehan Wang
Abstract: Residual connections are central to training deep Transformers, but standard PreNorm residual streams aggregate sublayer updates with fixed unit weights. Recent Attention Residuals replace this fixed accumulation with content-dependent depth-wise routing, and Block Attention Residuals make the mechanism efficient by routing over block-level residual summaries. However, a single block summary stores only the low-frequency total residual displacement inside a block, discarding directional structure such as attention-vs-MLP imbalance and early-vs-late block dynamics. We propose WAV v1, a lightweight multi-resolution residual routing method for decoder-only Transformers. Instead of representing each block only by its accumulated residual sum, WAV v1 augments every block with two directional detail bases: a phase basis that contrasts attention and MLP updates, and a split basis that contrasts early and late sublayer updates. These bases are routed together with standard block summaries through the same depth-wise softmax mixer, while negative detail-source initialization and detached RMS matching stabilize training. On character-level TinyStories and Text8 language modeling, WAV v1 shows a clear depth-dependent benefit. Although it is not consistently beneficial at 12 layers, it becomes competitive at 24 layers and outperforms all baselines at 48 layers. At 48 layers, WAV v1 reduces validation loss relative to Block AttnRes from 0.4960 to 0.4738 on TinyStories and from 0.9363 to 0.9305 on Text8, with negligible additional parameters. These results suggest that directional residual details, not only block-level sums, are important for scaling residual routing in deeper Transformers.
Authors: Julia Reuter, Fabricio Olivetti de Franca
Abstract: Symbolic regression (SR) is a class of methods that systematically explore the space of mathematical functions to discover models that accurately capture the underlying relationships in a dataset. Despite recent advances in the field, a lack of support for uncertainty quantification (UQ) limits its adoption in real-world decision processes. In regression analysis, UQ provides important information about the model reliability, which can both help to avoid overfitting by accounting for uncertainty in the data, and provide insights for decision-making. This survey is the first to clearly address this issue, with the objective of introducing essential UQ concepts and reviewing the current literature on UQ in SR, which can be broadly organized into three research directions: frequentist, Bayesian, and model selection. Despite its importance, UQ in SR is still underexplored, which motivates further research into reliable UQ methods for SR.
Authors: Wenjun Cao
Abstract: We argue that modern generative models create structural risks for knowledge and cultural production at current, sub-AGI capability levels. We define Human Temporal Learning (HTL) as path-dependent knowledge accumulation through sustained engagement with problems over time. Generative outputs increasingly resemble HTL-intensive work in surface features, so verifying whether a given output reflects genuine human learning grows costly relative to its expected benefit. Once verification loses economic justification, evaluators reward outputs regardless of production mode, and producers who invested years of learning compete on price against outputs that cost almost nothing to generate. We call this pathway value collapse and formalize it through a costly-inspection framework. Cross-domain evidence from academic publishing, legal practice, content platforms, and software security maps onto four stages of verification erosion. Alignment success is orthogonal. Better-aligned models narrow observable gaps between human and AI outputs, making source verification harder and intensifying competitive pressure against HTL-intensive work even when individual AI outputs improve.
Authors: Ziyue Li, Yang Li, Tianyi Zhou
Abstract: Large language models (LLMs) perform inference by following a fixed depth and order, non-recurrent execution of all layers. We reveal the wide existence of training-free, flexible, dynamic program-of-layers (PoLar), where pretrained layers can be packed as modules and then skipped or looped to form a customized program for each input. For most inputs, substantially shorter program executions can achieve the same or better accuracy, while incorrect predictions of the original LLM can be corrected by alternative programs with fewer layers. These observations indicate that inference admits multiple valid latent computations beyond the standard forward pass. To efficiently achieve PoLar in practice, we propose a lightweight PoLar prediction network, which learns to generate execution programs that dynamically skip or repeat pretrained layers for each input. Experiments on mathematical reasoning benchmarks demonstrate that PoLar consistently improves accuracy over standard inference and prior dynamic-depth methods, often while executing fewer layers, and that these gains persist under out-of-distribution evaluation. Our results suggest that fixed-depth execution captures only a narrow subset of an LLM's latent reasoning capacity.
Authors: Edward T. Stevenson, Eric T. Wolf, Mei Ting Mak, N. J. Mayne, Miles Cranmer
Abstract: In the sciences, regression tasks often require predicting high-dimensional outputs from few training examples. Multi-output Gaussian processes excel in low-data regimes but typically struggle with high-dimensional outputs. Compress-then-predict pipelines such as PCA-GP (principal component analysis plus Gaussian process regression) handle high dimensionality, but rely on bases optimized for reconstruction rather than prediction. To address this gap, we propose a model that represents each output as a linear-Gaussian decoding of a low-dimensional latent state drawn from a Gaussian process prior. By analytically marginalizing the decoder weights, we couple compression and prediction in a single objective that scales to high-dimensional outputs. We refer to this model as Gaussian process latent factor regression (GPLFR). We demonstrate GPLFR by building the first spatially resolved emulator of global climate models for rocky exoplanets.
Authors: San Buchanan, Druv Pai, Peng Wang, Yi Ma
Abstract: In the current era of deep learning and especially generative models, there is significant investment in training very large generative models. Thus far, such models have been "black boxes" that are difficult to understand in the sense that they have opaque internal mechanisms, leading to difficulties in interpretability, reliability, and control. Naturally, this lack of understanding has led to both hype and fear. This book is an attempt to "open the black box" and understand the mechanisms of large deep networks, through the perspective of representation learning, which is a major factor - arguably the single most important one - in the empirical power of deep learning models. A brief outline of this book is as follows. Chapter 1 will summarize the threads that underlie the whole text. Chapters 2, 3, 4, 5, and 6 will explain the design principles of modern neural network architectures through optimization and information theory, reducing the process of architecture development (long having been described as a sort of "alchemy") to undergraduate-level linear algebra and calculus exercises once the underlying principles are introduced. Chapters 7 and 8 will discuss applications of these principles to solve problems in more paradigmatic ways, obtaining new methods and models which are efficient, interpretable, and controllable by design, and yet no less - sometimes even more - powerful than the black-box models they resemble. Chapter 9 will discuss potential future directions for deep learning, the role of representation learning, as well as some open problems.
Authors: Jun-You Lin, Ying Choon Wu, Tzyy-Ping Jung
Abstract: Objective. EEG foundation models (FMs) report strong accuracy on clinical resting-state EEG. However, high accuracy under subject-disjoint cross-validation remains ambiguous: it can reflect a genuine clinical biomarker, or subject-identity features that correlate with the label. We name this the Identity Trap and ask whether it can be diagnosed at the representation level before fine-tuning. Approach. We propose FMScope, a frozen-representation protocol packaging five diagnostics: variance decomposition, subject-axis erasure, aperiodic 1/f ablation, layer-wise label probing, and within-subject direction consistency. We apply it to three pretrained FMs (LaBraM, CBraMod, REVE) across four datasets in a 2x2 layout: subject relation of label x presence of a consensus cross-subject EEG marker. Main results. (i) The Identity Trap is universal: frozen subject-variance is 13-89x a random null in 12/12 pairs, rising in all 12 under fine-tuning (+10 to +63 pp). This dominance is a removable linear axis: erasing it improves label decoding where the label varies within subject (+6 to +12 pp in primary cells; +4 to +27 pp across external cohorts). (ii) Aperiodic 1/f is one subject carrier: removing it drops the subject probe by 9-19 pp on LaBraM and CBraMod. REVE saturates subject identity without measurable aperiodic dependence. (iii) Fine-tuning amplifies label-variance only in cells with a literature-established cross-subject marker. Significance. The Identity Trap is a physically-grounded instance of shortcut learning: the preferred cue has a measurable physiological component, and subject-disjoint splitting alone cannot rule it out. FMScope separates gains reflecting a biological marker from those reflecting subject identity.
Authors: Bhargav Sriram Siddani, John B. Bell, Alejandro L. Garcia, Ishan Srivastava
Abstract: Hydrodynamic models of stochastic particle systems represented by coarse-grained stochastic partial differential equations (SPDE), such as the regularized Dean-Kawasaki (DK) equation, do not accurately capture the short-time system dynamics that is dominated by non-Markovian effects, and low particle density regimes where the distributions are highly non-Gaussian. We develop a generative flow matching method that directly models the probability distribution of fluxes from particle simulations that explicitly incorporates non-Markovian and non-Gaussian effects. As a demonstration, we use this method to simulate the Kramers first passage time problem for a system of non-interacting Brownian particles. We show the model accurately captures the short-time behavior and provides better predictions of the statistical moments of the number density when compared against the solution of the Markovian baseline, regularized DK equation.
Authors: Christie Djidjev, Nicholas Kaminski
Abstract: Future AI-integrated Radio Access Networks (AI-RAN) will combine open programmability with learning-enabled xApps, rApps, and control functions that act on shared parameters and key performance indicators (KPIs). For conflict monitoring, it is not enough to know which applications are deployed; the system must also know whether the parameter--KPI dependencies assumed by runtime diagnosis remain valid under the current operating regime. This paper studies a lightweight monitoring primitive for that purpose: tracking an interpretable dependency representation from streaming telemetry events. We represent active dependencies by a Boolean matrix and use Boolean matrix multiplication to check whether recent parameter-activity and KPI-response events are consistent with the current estimate. We propose a sliding-window inference procedure that reuses the estimate when it remains consistent and recomputes it when recent observations indicate structural change. The tracker is intended as an explainable signal for conflict diagnosis and slow-loop model refresh, not as an autonomous mitigation mechanism. Experiments on controlled Boolean event streams show efficient and accurate tracking under dependency changes and Boolean observation noise.
Authors: Ujjwal Bhatta, Utsabi Dangol, Sumaly Bajracharya, Rodrigue Rizk, KC Santosh
Abstract: Sparse rewards and heterogeneous task sequences remain persistent challenges in Reinforcement Learning (RL), often resulting in slow convergence, weak generalization, and inefficient exploration. We propose Uncertainty-Aware LLM-Guided Policy Shaping (ULPS), a novel framework that integrates a calibrated Large Language Model (LLM) into the RL training loop to provide structured, uncertainty-modulated behavioral guidance. ULPS employs an A*-based oracle to synthesize optimal symbolic trajectories, which are used to fine-tune a BERT-based language model. During training, this model supplies action suggestions whose influence is conditioned on epistemic uncertainty estimated via Monte Carlo (MC) dropout. An entropy-based blending mechanism adaptively balances LLM guidance and the learned policy (via Proximal Policy Optimization, PPO), allowing the agent to prioritize reliable priors while preserving adaptability. We evaluate ULPS on the MiniGridUnlockPickup benchmark and observe consistent improvements in success rate, reward efficiency, and sample complexity over unguided, uncalibrated, and standard RL baselines. ULPS achieves more than 9% improvement in execution accuracy after fine-tuning, requires fewer environment interactions, and yields higher reward AUC. Our results demonstrate that integrating symbolic A* trajectories, pretrained language priors, and uncertainty-aware control offers a principled and effective approach to multi-task reinforcement learning in sparse-reward domains, with potential extensibility to partially observable and multi-agent settings.
Authors: Zepeng Zhang, Aref Einizade, Jhony H. Giraldo, Olga Fink
Abstract: Missing data is a common challenge in spatiotemporal systems, arising in applications such as air quality monitoring and urban traffic management. Traditional machine learning approaches, like recurrent and graph neural networks, rely on iterative propagation, which tends to accumulate errors over time and space. Recent diffusion-based methods mitigate error propagation but require iterative sampling and often depend on problem-agnostic Gaussian priors, limiting both efficiency and effectiveness. To address these limitations, we propose GiFlow, a Graph-Informed Flow Matching framework for spatiotemporal imputation. GiFlow replaces the typical Gaussian prior with a graph-informed prior constructed via spatiotemporal filtering of observable signals, which better aligns the source distribution to the target and thereby simplifies the generation trajectory. The flow field is parameterized by a hybrid vector field model that integrates spatial attention, temporal attention, and spatiotemporal propagation, enabling joint modeling of spatial and temporal dependencies. Extensive experiments on both synthetic and real-world datasets demonstrate that the proposed GiFlow outperforms the state-of-the-art approaches in spatiotemporal imputation. The code is available at https://github.com/zepengzhang/GiFlow.
Authors: Su Wang, Mung Chiang, H. Vincent Poor
Abstract: We investigate cluster formation, involving the number and composition of clusters, in decentralized federated learning (FL) with heterogeneous machine learning (ML) optimizers. While clustering in centralized FL has enabled scalability and resource savings, its value and development in fully decentralized environments have yet to be explored. Optimizing cluster formation in such environments is challenging, especially due to the complex coupling between network graph structures, local data heterogeneity, and different local ML model optimizers. To address these challenges, we propose serverless semi-decentralized FL (SSD-FL), a methodology requiring no persistent server infrastructure. In SSD-FL, cluster formation occurs via a lightweight, one-time device-to-device (D2D) initialization phase, after which actual ML model training (alongside consensus and convergence processes) is fully serverless. Functionally, SSD-FL segments global rounds into intra-cluster and inter-cluster regimes, ensuring global convergence and consensus through novel "effective loss functions" that integrate device-specific ML optimizers with network graph-based regularization. Next, SSD-FL leverages the consensus gap via the Cheeger inequality to develop an iterative clustering algorithm evaluated against our derived convergence and consensus bounds, which incorporate a unique scoring metric to quantify data and optimizer heterogeneity across devices. Finally, experimental evaluation against three categories of decentralized FL methodologies validate that SSD-FL improves both convergence speeds and communication efficiency across various network graphs, datasets, and local optimizer regimes.
Authors: Hana Samad, Trung Lam, Christoph M\"ugge-Durum, Michael Akinwumi
Abstract: Large language models (LLMs) are rapidly assuming an intermediary role in housing search through the integration of listing platforms within conversational interfaces, mediating access to information, search, and recommendations within urban settings. We expand on prior work on racial steering in LLMs by conducting a behavioral audit of seven open-weight and closed-source LLMs across four U.S. cities, testing location recommendations across three iterative prompting conditions that progressively add lifestyle preference context and reflect fair housing paired-testing methodologies. We find that steering is an emergent behavior of the model's interpretive license rather than primarily a static property. Steering results from the interaction of a user's identity, preference articulation, and the spatial logic that a model has internalized about learned representations of place, preference, and opportunity in a given city, and how different types of users relate to it. While steering was present, it was not uniform in direction or magnitude across evaluated conditions. Preference-conditioned testing often increased or reconfigured the number of models that exhibited steering behaviors relative to baseline conditions, suggesting that LLMs may interpret what the same housing preference means differently depending on the racial identity of the user. Our findings also demonstrate that the city is not a neutral testing unit for LLM evaluation in place-based sectors, and results from one local market cannot be assumed to generalize to another. Local and domain expertise will be required in the housing sector to ensure that legal and institutional commitments to fair housing are not undermined while adopting AI tools that mediate spatial access.
Authors: Harsh Deshpande, Kushal Chawla, Sangwoo Cho, William Campbell
Abstract: Production agentic systems routinely face evolving constraints and must comply from the very next interaction. Scenarios like a tool-call notification changing a compliance threshold or a policy update adding disclosure requirements fit this criteria, having close to no room for errors in production. This proactive adaptation setting is common in deployment, but absent from current benchmarks, which assume either static constraint sets or reactive protocols with evaluation feedback. We introduce RECAP, a benchmark that measures continual-learning phenomena (forgetting, regression, forward transfer) at the constraint level under a strictly proactive adapt-then-test protocol: prompt optimization methods receive only the constraint specification and must generalize before seeing any test data. Evaluating six methods across four LLMs and three schedules with evolving constraints, we find that these methods show no significant improvement in performance, even after incurring a higher latency. These methods, designed for offline or reactive settings, are inadequate for the proactive paradigm. Our work emphasizes the growing need for designing proactive prompt adaptation methods, where the models must remain robust to evolving needs in deployment.
Authors: Saket Reddy, Shiwei Liu
Abstract: While generative AI models have demonstrated remarkable success in structure-based drug design, they predominantly rely on deep binding pockets and struggle to sample effective ligands for challenging low-pocketability targets, such as the historically "undruggable" oncology targets KRAS and MYC. To address this gap, we introduce ShallowBench, a strictly curated benchmark of 5,780 shallow-pocket targets extracted from CrossDocked2020. By computing the difference between an Alpha Shape "lid" volume and the underlying protein atom voxel volume, we successfully isolated targets with low concavity while ensuring sufficient surface area for binding. Evaluating various state-of-the-art generative models reveals weaker predicted binding affinity on these low-concavity interfaces. ShallowBench therefore provides a rigorous benchmark for generative biology models and highlights the necessity of new architectural innovations or loss functions capable of navigating these challenging targets.
Authors: Canyu Lei, Fenglin Zhang, Derek Bivona, Cristiane Singulane, Jonathan Pan, Kenneth Bilchick, Amit R. Patel, Jianxin Xie
Abstract: Myocardial substrate abnormalities, such as myocardial scar and myocardial infarction (MI), are associated with adverse cardiovascular outcomes. Electrocardiography (ECG) provides a low-cost and widely available tool for detecting these abnormalities, but ECG-based detection remains challenging due to heterogeneous lead-dependent manifestations, high-dimensional multi-lead signals, class imbalance, and the limited interpretability of deep learning models. We propose a multi-scale attention-enhanced convolutional network (MSAIC-Net) for ECG-based myocardial substrate abnormality detection. MSAIC-Net employs parallel atrous convolutional branches to extract ECG features across multiple temporal receptive fields. %, enabling the model to capture both local and longer-range temporal patterns. Channel attention is then used to adaptively reweight informative lead-wise and feature-channel representations. To address class imbalance and improve feature separability, we introduce a novel imbalance-aware supervised contrastive learning strategy that encourages samples from the same class to form compact representations while increasing separation between abnormal and normal samples. Lead-wise permutation importance is further incorporated to quantify the contribution of each ECG lead and improve model interpretability. The proposed method was evaluated on two complementary datasets: a low-data institutional cohort from the University of Virginia (UVA) Health System for myocardial scar classification and the large-scale public PTB-XL dataset from PhysioNet for MI identification. Experimental results show that MSAIC-Net outperforms baseline models, with particularly pronounced improvements in the low-data UVA cohort. Overall, the proposed framework provides an effective and interpretable approach for ECG-based detection of myocardial substrate abnormalities.
Authors: Leonardo Galli, Curtis Fox, Wiebke Bartolomaeus, Mark Schmidt, Holger Rauhut
Abstract: The training of neural networks often entails objective functions that are not globally $L$-smooth. For these functions, it is both theoretically and practically difficult to reply to the question: what is the largest possible step size that ensures the convergence of gradient descent (GD)? We address this longstanding open question in deep learning by providing a unifying definition of "large" step sizes that requires only local Lipschitz (or even H\"older) continuity of the gradient. We design first-order adaptive methods that provably yield large step sizes and show that they operate at the edge of stability (EoS) right from the start of the training. In particular, the loss decreases nonmonotonically and the product between the step size and sharpness, i.e., the largest eigenvalue of the Hessian, stays above the EoS threshold of 2 throughout training. Using our method, we are also able to minimize the sharpness all the way down to its global minimum. Contrary to expectation, we find that encountering globally-flat regions too early in the training may both slow down convergence and jeopardize the generalization ability of the network. Exploiting a self-stabilization argument, we allow GD to enter slightly sharper valleys and turn unsuccessful training runs into very successful ones.
Authors: Jari Veps\"al\"ainen
Abstract: Representative data is fundamental in machine learning, as limited data hinders generalisation. Collecting sufficient real-world samples is often infeasible. Synthetic data generation offers a practical solution, but only if the generated data faithfully reflects the structure of real observations. In this paper, a method for generating synthetic regression datasets that structurally resemble physics equations from a given equation corpus is presented. The approach uses a Bayesian Probabilistic Context-Free Grammar to capture the underlying algebraic structure of the corpus, from which novel equations are sampled. To ensure the generated inputs lie within a physically meaningful domain, the applicability domain is characterised for each equation through non-intrusive probing, also recovering inter-variable constraints. Input sampling further mimics realistic experimental conditions by drawing from random sub-ranges of the valid domain with mixed uniform and truncated normal distributions. The generated data is statistically validated against the Feynman equation corpus using Kolmogorov-Smirnov tests. The generated equations match the corpus on all of the eight studied structural features, compared to only two for an unsmoothed purely probabilistic grammar, demonstrating that the Bayesian prior is essential for structural fidelity given the size of the corpus. In a downstream hyperparameter-tuning task, a gradient-boosted regressor tuned on the synthetic data picks, on average, the 6th-best configuration out of 20 on real data, matching the result of tuning on real data itself and substantially outperforming random expression trees (10th) and noise (19th).
Authors: Yikai Zhang, Gaoxiang Jia, Jie Ding, Boxiang Wang
Abstract: TorchKM is an open-source library for kernel machines, including support vector machines, kernel logistic regression, and kernel quantile regression, with GPU acceleration. The library features a scikit-learn-style API and is designed to exploit GPU-friendly linear algebra, accelerating the full training and model-selection pipeline through intelligent reuse of matrix operations. Benchmarks show competitive predictive performance together with substantial speedups over standard baselines. Code and documentation are available at https://github.com/YikaiZhang95/torchkm, and the package can be easily installed via PyPI.
Authors: Haijing Zong, Yancheng Liang, Boyang Zhou, Natasha Jaques
Abstract: Two-sided matching markets often involve information that unfolds over time through interviews, repeated interaction, learning, and separation. Existing matching models typically reduce this process to immediate sub-Gaussian feedback about fixed preferences, missing settings where payoff-relevant information is revealed gradually and changes future matching decisions. We introduce a framework with temporally extended feedback, that formulates two-sided matching as a partially observable Markov game with costly pre-match screening, noisy post-match observations, evolving latent profiles, and endogenous continuation or dissolution. We instantiate this framework in Learn2Match, a multi-agent reinforcement-learning benchmark for dynamic matching markets. Learn2Match supports decentralized decision making over whom to interview, whom to match with, and when to dissolve a match, while evaluating policies using regret, social welfare, and an information-friction loss that measures the welfare gap caused by incomplete revelation of latent preferences. We find that independent PPO achieves higher cumulative social welfare and lower cumulative regret than the bandit-style CA-ETC baseline under temporally extended feedback, demonstrating the promise of MARL for dynamic matching markets. However, PPO still incurs higher information-friction loss, revealing that end-to-end MARL does not yet provide the coordinated exploration structure of matching-bandit methods. These results position Learn2Match as a benchmark for developing the next generation of matching-market algorithms: methods that are adaptive like RL agents, statistically disciplined like bandit algorithms, and structurally aware like stable-matching mechanisms.
Authors: Haruto Tanaka, A. Rupam Mahmood
Abstract: Deep reinforcement learning (RL) algorithms often suffer from low run-to-run robustness, manifesting as significant performance variation across independent runs of identically configured agents. Although this issue poses a spectrum of challenges across research and practice, relatively few studies develop methods to evaluate it; RL research instead often reports uncertainty in the estimated mean performance. In this paper, we outline the limitations of conventional uncertainty and variation estimates, particularly their misalignment with purpose and the risk of underreporting. We then propose an alternative percentile-based statistic and visualization method, min-max IPR and run-wise percentile highlighting, respectively. These percentile-based tools are easy to interpret and rely on standard properties of sample percentiles, providing rich information about run-to-run performance variation. We demonstrate this through three case studies. First, we show that LayerNorm and penultimate-layer normalizations narrow performance variation in PPO, whereas the variation is mostly unchanged in SAC. Second, we compare PPO, SAC, TD-MPC, and TD-MPC2, and show TD-MPC exhibits the least variation while being the most data efficient among the four. Finally, in a comparison of DQN and Rainbow on five Atari environments, we show that both algorithms exhibit similar levels of performance variation.
Authors: Muhammad Jawad Mufti, Omar Hammad, Haitham Saleh, Muqaddas Gull
Abstract: Customer churn prediction is a central task in customer analytics, particularly in non-contractual, pay-per-use service environments where disengagement is not explicitly observed and must be inferred from behavioral inactivity. Existing churn prediction approaches often rely on simplified temporal assumptions or single-point representations of customer behavior, which limit their ability to support continuous risk assessment, interpretability, and realistic deployment over time. This study proposes a temporally explicit churn prediction framework that models customer behavior using rolling behavioral windows, enabling repeated and instance-level churn risk estimation as customer activity evolves. Customer behavior is summarized within a fixed 30-day observation window, followed by a 30-day future churn evaluation window, ensuring a clear temporal separation between behavioral evidence and churn outcomes. The framework integrates feature-based and sequence-based learning approaches within a unified temporal design. The proposed approach is evaluated on a large-scale, real-world dataset from a non-contractual service platform. Empirical results demonstrate strong and stable predictive performance, with accuracy reaching 87.6% and ROC-AUC of 0.94 for the feature-based model, while the sequence-based model achieves recall as high as 96.1% by capturing temporal disengagement patterns. Evaluation on future unseen data confirms meaningful robustness under temporal shift, with accuracy remaining above 83% and ROC-AUC exceeding 0.91 without model retraining. Overall, the findings highlight that carefully designed temporal framing, rather than model complexity alone, is critical for achieving robust, interpretable, and deployment-ready churn prediction. The study provides a practical foundation for churn-oriented decision support in dynamic service environments.
Authors: Kasra Borazjani, Fardis Nadimi, Payam Abdisarabshali, Owen Palinski, Allan Salihovic, Dinh Nguyen, Minghui Liwang, Seyyedali Hosseinalipour
Abstract: This paper presents a forward-looking vision for integrating the emerging multi-modal multi-task federated foundation models (M3T FedFMs) into vehicular networks, with the goal of unifying the expressive power of multi-modal multi-task foundation models (M3T FMs) with the privacy-preserving and distributed learning capabilities of federated learning (FL). Given the largely underexplored nature of this research direction, we first introduce the fundamental training/fine-tuning principles of M3T FedFMs. We then discuss a range of their representative use cases in vehicular networks, illustrating the significant potential of M3T FedFMs to enable next-generation vehicular intelligence. Afterwards, we identify key constraints inherent to vehicular environments that challenge the practical deployment of M3T FedFMs, and articulate a set of forward-looking research directions to address these challenges. Furthermore, through a case study conducted on a real-world vehicular dataset (i.e., Waymo Open Dataset), we demonstrate the promise of M3T FedFMs for vehicular networks and release our implementation to facilitate reproducibility and stimulate research in this emerging area (repository: https://github.com/KasraBorazjani/vehicular-fedfm)
Authors: Yawen Ma, Sahoko Ishida, Kate Cain, Gabriel Wallin
Abstract: Digital learning environments record learners' responses to individual items, making it possible to study the development of specific skills rather than overall scores. Drawing conclusions about learning from these data requires a model that links responses to latent skills and tracks how mastery changes over time. When the skills measured by each item are unknown, the analyst must decide whether to estimate this structure, the Q-matrix, jointly with the learning process, or to establish it first and study learning afterwards. We show that this decision can change substantive conclusions about how learners develop. Using dynamic cognitive diagnostic models, we analyse data from two reading games measuring vocabulary and comprehension from Grade 2 to Grade 3, with item-text embeddings providing prior information for the unknown Q-matrix. A joint analysis and a bias-corrected stepwise analysis agree that most learners move toward mastering both skills, but disagree about how many remain only partially proficient at Grade 3, changing how reading progress would be reported. A simulation study identifies when the two analyses diverge and shows that joint analysis is more reliable when the item-skill structure is uncertain and the item pool changes between grades. We provide R code for both analyses.
Authors: Zhifei Xu, Jierui Lan, Zixuan Liang, Aiji Liang, Jinxi He
Abstract: Agentic Large Language Model (LLM) systems decompose complex tasks into workflow Directed Acyclic Graphs (DAGs) whose primitives must be scheduled on heterogeneous clusters. Existing deep reinforcement learning (DRL) schedulers are tied to a fixed cluster size and require retraining whenever the number of servers changes. We propose SCALE (Scalable Cross-Attention Learning with Extrapolation), a DRL scheduler that generalizes to unseen cluster scales without fine-tuning. SCALE employs a cross-attention pointer network where task features query against server features, so the architecture accepts any number of servers by construction. We observe, however, that permutation-invariant architecture alone does not guarantee good performance at new scales - the attention feature undergoes distribution shift as the server count grows. To counter this, we introduce Structured Representation Regularization (SRR): a decorrelation loss combined with a KL penalty toward the standard normal, which keeps feature statistics stable regardless of input size. Trained on 16 nodes and tested directly on 32 and 48 nodes, SCALE reduces average response time by 8.9% at N=48 relative to the same architecture without SRR, confirming that explicit regularization is necessary to close the scale-generalization gap.
Authors: Yuqi Li, Siyuan Liu, Bingjun Liu
Abstract: While deep learning has excelled in various domains, its application to sequential decision-making in finance remains challenging due to the low Signal-to-Noise Ratio (SNR) and non-stationarity of financial data. Leveraging the reasoning capabilities of Large Language Models (LLMs), we propose \textbf{PandaAI}, a closed-loop neuro-symbolic LLM agent with market regime modeling and constrained alpha generation, which bridges general LLM reasoning with financial rigor and suppresses the financial toxicity of LLM-generated outputs. To bridge the gap between general linguistic capability and financial rigor, we fine-tune a domain-specific LLM. Furthermore, we integrate this LLM into a modular architecture and form a closed-loop system. Unlike traditional models that optimize isolated prediction metrics, \textbf{PandaAI} is designed as a neuro-symbolic agent that navigates the complex, real-world financial environment with explicit risk awareness. Extensive experiments on CSI 300 stock data show that \textbf{PandaAI} achieves a $18.2\%$ higher Rank IC and $25.7\%$ lower maximum drawdown than state-of-the-art time-series models. Our constrained LLM generation and dual-channel adaptation method provide a general paradigm for LLM deployment in high-stakes sequential decision-making scenarios.
Authors: D Yang Eng
Abstract: Transfer in coordinate networks is often measured by warm-start gain, but whether that gain reflects source-specific structure or generic weight reuse is less clear. We study this question across three implicit neural representation (INR) families, SIREN, ReLU MLPs, and Fourier-feature MLPs, using controlled analytic tests, a 2D lid-driven-cavity Navier--Stokes benchmark, and 1D PDE reference-solution suites for heat, viscous Burgers, and focusing cubic NLS. The analytic tests use independent-seed random controls, while the PDE benchmarks use alternate same-family source controls and auxiliary ablations. Across settings, transfer magnitude and transfer specificity separate clearly. In a 10-seed controlled 1D geometric test, Fourier Features show the largest structured transfer ($33.1\times$), followed by SIREN ($23.0\times$) and ReLU ($10.7\times$), but ReLU is far more selective: random-control transfer is $0.41\times$ for ReLU versus $14.24\times$ for SIREN. On a controlled two-parameter 1D family, the ranking changes: ReLU gives the clearest structured-versus-control separation at default settings, whereas Fourier Features improve only after bandwidth retuning. In Navier--Stokes and the broader 1D PDE suite, no single architecture dominates every equation, yet the same pattern remains: SIREN often reuses weights broadly, whereas ReLU and, in some equations, Fourier Features are more source-selective. Static diagnostics remain weak, and the heuristic scaling law $A_{\text{transfer}} \propto 1/\Delta t^2$ is rejected in the implemented 1D audit. These results position transfer specificity as a useful diagnostic for coordinate networks and suggest that architecture selection in scientific machine learning should be evaluated under explicit control conditions, not by transfer magnitude alone.
Authors: Jiani Xie, Andrew C. Cullen, Paul Montague, Benjamin I. P. Rubinstein
Abstract: Automatic Speech Recognition (ASR) systems operating in real-time settings must process acoustic input under strict temporal constraints, where transcription decisions are inherently made on incomplete information. This causal constraint serves as an information bottleneck on attackers, significantly limiting attack performance. Our new Semantic Gambit attack breaks this causal limitation by augmenting the adversary with predictive context derived from a Large Language Model in real-time. Our experiments show that this form of augmentation can elevate the corpus-level Word Error Rate to 35.6% -- a three-fold increase over the current state-of-the-art. Ultimately, this work reveals how common, low-latency LLM tooling can be exploited to systematically subvert real-time ASR pipelines.
Authors: Snigdha Chandan Khilar
Abstract: This paper uses geometry to explain how a machine learning model can be stolen using an already existing well-known method. The author has shown the exact conditions required to perfectly copy the final layer of a transformer network. When looking deeper into the hidden layers the author has explained clear limits. The author has also demonstrated that a hidden network cannot be fully reverse engineered just by looking at the final results. The research clearly maps out what can and cannot be stolen from a model.
Authors: Ziyuan Li, Uwe Jaekel, Babette Dellen
Abstract: Understanding nonlinear feature interactions is crucial in science and engineering, yet standard multilayer perceptrons (MLPs) often capture such interactions only implicitly, leading to entangled representations that can impair robustness and interpretability. We investigate product-unit residual networks (PURe) that integrate multiplicative product units with residual connections to explicitly model cross-feature couplings while stabilizing optimization. We conduct a systematic evaluation on an interaction-driven synthetic benchmark and two real-world datasets, assessing predictive accuracy, robustness to Gaussian feature noise, and performance under limited training data, and we compare real- and complex-valued variants under a matched parameter budget. Beyond accuracy, SHapley Additive exPlanations (SHAP)-based interaction analyses show that PURe learns more concentrated and structurally coherent interaction patterns than MLP baselines. Overall, PURe achieves competitive or improved performance, better robustness and sample efficiency in low-data regimes, and enhanced interaction-level interpretability.
Authors: Ziyuan Li, Paulo S. A. Freitas, John W. Clark, Babette Dellen
Abstract: The prediction of masses of atomic nuclei using machine learning can complement theoretical models and advance the exploration of poorly known domains of the nuclear chart. We propose a machine learning technique based on gated recurrent units (GRU), which have demonstrated competitive performance in nuclear-mass prediction by exploiting long-term dependencies. By integrating multiplicative interactions and product-unit transformations within recurrent units, we report significant improvements in nuclear-mass prediction. Computations are performed in the complex domain to jointly capture amplitude and phase dynamics. For interpolation and temporal-extrapolation tasks based on the atomic mass evaluation (AME2016 and AME2020), the complex additive-multiplicative product-unit gated recurrent unit (AM-PU-GRU) model consistently achieves the lowest prediction errors, with an interpolation RMSE of 0.227 $\pm$ 0.004 MeV and an extrapolation RMSE of 0.179 $\pm$ 0.015 MeV. These results surpass other state-of-the-art machine learning models and also outperform the real-valued GRU baseline and product-unit ablation variants, while remaining robust to different theoretical priors, including WS4 and SEMF. Our findings establish complex-valued product-unit recurrent networks as a new benchmark for sequence-based nuclear-mass prediction.
Authors: Jerome Henry, Swadhin Pradhan, Miroslav Popovic
Abstract: Diagnosing 802.11 packet captures requires expert protocol knowledge, is slow, inconsistent across engineers, and unscalable. LLM-based approaches sound plausible but fabricate protocol events absent from captures (especially truncated traces), produce uncalibrated confidence scores, and suffer evaluation bias when golden references are co-produced by the model under test. We introduce PROBE (Protocol Reasoning Over evidence-Based Ensembles), a multi-stage pipeline addressing all three failures. It integrates (i) deterministic PCAP-to-text normalization with frame-level verifiability, (ii) multi-run, multi-candidate ensembles with optional cross-model second opinion and progressive obfuscation, (iii) a verdict-aware evidence framework treating absence of failure evidence as contributing evidence, and (iv) a fully deterministic composite reliability score from evidence validity, run-to-run stability, and cross-model agreement without LLM self-assessment. On 87 enterprise Wi-Fi captures (104 capture-reviewer pairs), single-pass LLM analysis raises weighted evidence F1 from 0.871 (expert baseline) to 0.912 but misses critical frames in 35% of cases. Naive ensemble voting drops below baseline (0.842) as majority voting amplifies conservative verdicts: 50% of confirmed failures are misclassified as 'no issue' or 'insufficient evidence.' Adding evidence-grounded reconciliation achieves 0.957 F1, a 96% auto-accept rate, and a worst-case floor above 0.70. LLM self-reported confidence clusters at 0.95 regardless of difficulty (71% report exactly 0.95), confirming it is uninformative. We also introduce a model-agnostic evaluation framework using per-field assertion matching, eliminating circular bias from model-co-produced golden references.
Authors: Baiying Lu, Zhaohui Liang, Ryan Pontius, Shengpu Tang, Temiloluwa Prioleau
Abstract: Blood glucose forecasting models are foundational for modern diabetes management systems, as reliable short-term predictions can enable proactive interventions, support automated insulin delivery, and reduce the risk of hypo- and hyperglycemic events. From a modeling perspective, glucose forecasting poses unique challenges due to heterogeneous physiological dynamics across diabetes populations. Traditional machine learning and deep learning models have been extensively evaluated for glucose prediction, yet recent time-series foundation models (TSFMs) remain much less studied in this setting. To bridge this gap, we present GlucoFM-Bench, a comprehensive benchmark evaluating state-of-the-art TSFMs alongside supervised deep learning models for blood glucose forecasting. We assess eight representative architectures, including pre-trained TSFMs, time-series large language models, and task-specific deep learning models, across 15 publicly available diabetes-relevant datasets comprising 1,117 individuals with type 1 diabetes, type 2 diabetes, prediabetes, and no diabetes. Models are evaluated under zero-shot, few-shot, and full-shot protocols, with systematic variation in context length and prediction horizon. Across datasets, pre-trained TSFMs, especially Chronos-2 and TimesFM, show strong zero-shot and few-shot transfer, with the best zero-shot model performing within 5% of the best full-shot supervised model. Yet, when task-specific data are abundant, a lightweight LSTM remains strongest, outperforming TSFMs by 4--21% under full-shot training. Stratified analyses reveal persistent challenges in T1D cohorts and hypo-/hyperglycemic ranges, highlighting the need for evaluation beyond aggregate error metrics. Together, GlucoFM-Bench provides a standardized and reproducible foundation for evaluating, comparing, and improving foundation models for blood glucose forecasting.
Authors: Zhiwei Xu, Shihao Wu, Hanseul Cho, Wei Hu, Yixin Wang
Abstract: Classical scaling laws for language model pretraining balance model size against training dataset size under a fixed compute budget, assuming abundant data and a single pass over the corpus. As training compute grows faster than the supply of natural language data, pretraining is likely to enter a data-constrained, compute-rich regime where models train for multiple epochs over a finite dataset. We study data-constrained pretraining along two axes, regularization and scaling. For regularization, we study masked-input regularization (MIR), an auxiliary next-token prediction loss on randomly masked inputs. MIR tests whether the random masking central to diffusion language models can benefit autoregressive pretraining without architectural changes or inference overhead. Across 72M to 1.4B parameter models, we find that MIR added on top of strong weight decay improves validation loss over autoregressive strong-weight-decay-only models, with downstream gains at 1.4B. For scaling, we propose SoftQ, a scaling law that couples model size and data size to capture their interaction under repeated data. Classical alternatives such as the Chinchilla law use an additive form that decouples these terms, making them misspecified in the data-constrained regime. We find that SoftQ fits data-constrained experiments substantially better than these alternatives, and estimates MIR's gains as equivalent to roughly 1.3 times as much unique training data. We release our code at https://github.com/yixinw-lab/dc_pretrain.
Authors: Yue Min, Ruining Chen, Yujun Li
Abstract: Scalable data attribution methods typically assign isolated utility scores to individual training examples. This prevalent additive assumption fundamentally fails to capture critical subset dynamics, including data redundancy and complementary coverage. In this work, we reframe attribution as subset-level counterfactual utility prediction and introduce GRASP, an interaction-aware surrogate. Grounded in a theoretical smoothness lower bound, GRASP explicitly models subset interactions through a quadratic geometric penalty. To achieve pretraining-scale efficiency without relying on hidden oracle tuning, we couple low-dimensional feature sketches with a strictly finite lower-confidence bound selection protocol. Extensive subset-retraining evaluations demonstrate that GRASP decisively outperforms existing scalable baselines. It more than doubles the task-level rank correlation for counterfactual subset fidelity while reducing upfront artifact construction costs by nearly an order of magnitude. Downstream diagnostics further show that this scoring mechanism transfers to language model curation and cross-domain vision selection, establishing a robust foundation for optimizing massive pretraining corpora.
Authors: Chengkai Zhang, Ziteng Liu, Junpu Wang, Zeyi Tao, Yang Wang, Sagar Chordia, Qin Huang
Abstract: Targeted post-training aims to improve reasoning, math, and code without degrading strengths. Low-rank adapters are efficient but task-global; activation interventions are input-aware but often require separate probes, vectors, or inference-time steering. We introduce TALAN (Task-Aligned Latent Adaptation Networks), a sequence-conditioned latent side path inserted into a transformer's residual stream and co-trained with a low-rank adapter in one SFT loop. TALAN compresses the active sequence into latent memory, remixes it into token-level perturbations, and writes them back through a controlled residual update. It is configured along six axes: insertion location, memory size, mixer, writeback rule, trainability scope, and gradient scale. Across four Qwen3-family backbones and four STEM/code benchmarks, TALAN improves matched LoRA and DoRA baselines. With LoRA, it yields a +1.41 point cross-model mean gain, positive on all four backbones and non-negative on all 16 model-benchmark cells. With DoRA, it yields a +1.85 point mean gain, positive on all backbones and on 13 of 16 cells. Paired seed checks support positive average effects but show nontrivial variance, so we treat them as sensitivity checks. Cost is small: <1% trainable parameters relative to the backbone and 1.01-1.02x inference overhead versus matched LoRA. A Llama-3.2-1B transfer probe is also positive under LoRA and rsLoRA across seven paired seeds, supporting a transfer beyond Qwen. Internal-state analyses suggest TALAN is a small complementary activation intervention. The matched adapter update is 80-1,700x larger than the TALAN perturbation, yet their directions have near-zero cosine; per-layer measurements show this small orthogonal perturbation propagates and amplifies through depth. TALAN offers a practical platform for studying steerable activation-level adaptation within standard adapter-based post-training.
Authors: Rahul Nair, Chun Tao
Abstract: Deploying Small Language Models (SLMs) on edge devices requires efficient fine-tuning strategies that adapt models to new tasks without degrading their general capabilities. In this study, we benchmark five sub-1B models (135M-1B) on mathematical reasoning tasks and uncover a critical vulnerability: Full Fine-Tuning (Full FT) actively harms performance in models under 300M parameters, often dropping accuracy below zero-shot baselines. This "negative transfer" makes Parameter-Efficient Fine-Tuning (PEFT) not just an efficiency preference, but a stability requirement. We find that while Low-Rank Adaptation (LoRA) and Weight-Decomposed LoRA (DoRA) perform comparably, their strengths vary by task; DoRA excels in complex reasoning (GSM8K), while LoRA dominates pattern matching (OrcaMath). In particular, Full FT is outperformed by LoRA on aligned models (Qwen2.5-0.5B) and even by simple 5-shot In-Context Learning on the smallest architectures (SmolLM2-135M). Based on these findings, we recommend defaulting to PEFT for all aligned sub-1B models and caution against Full FT for any architecture smaller than 500M parameters to prevent catastrophic forgetting. Reproduction of this work can be found at https://github.com/gulguluu/tiny-slm-finetune-compare.
URLs: https://github.com/gulguluu/tiny-slm-finetune-compare.
Authors: Guannan Lai, Haoran Hu, Long Chen, Zhenguo Li, Han-Jia Ye
Abstract: Existing LLM routing methods typically treat a model's single response to a query as its capability label for training routers. However, because LLM generation is inherently stochastic, such single-shot supervision provides only a noisy observation of a query-model pair's behavior rather than a reliable capability estimate. We show that this assumption introduces systematic noise into routing supervision, making learned routing policies less reliable. To address this issue, we propose DARS (Distribution-Aware Routing Supervision), a framework that constructs routing supervision from a distributional view of model behavior. Instead of relying on a single generated response, DARS considers uncertainty from both the input side and the output side, capturing how semantically equivalent query formulations and stochastic generations affect model performance. Based on these distribution-aware observations, DARS builds more reliable supervision signals for routing. Experiments across diverse tasks show that single-shot labels can be misleading for model selection, while distribution-aware supervision provides more stable labels and improves learned routing behavior. Our results suggest that reliable LLM routing should move beyond single-response observations and be grounded in query-level model capability distributions.
Authors: Jonghyun Shin, Sejun Park
Abstract: We analyze generalization error, uniform stability, and uniform argument stability of gradient descent (GD) and stochastic gradient descent (SGD) over discrete parameter spaces, where each update involves deterministic or stochastic rounding. We show that deterministic rounding degrades the generalization error of GD on convex, Lipschitz, and smooth loss functions, increasing the rate from $O(T/n)$ to $O(T/\sqrt{n})$, and establish matching lower bounds. We further prove that uniform stability of GD becomes $\Omega(T)$, showing that stability-based generalization bounds are vacuous in this setting. In contrast, for the same losses, stochastic gradient descent with deterministic rounding admits nontrivial uniform stability guarantees, which differ qualitatively from the real-valued case and exhibit distinct dependencies on the number of iterations and the dimension: we prove tight bounds $O(T/n)$ for one dimension and $O(T^2/n)$ for higher dimensions. We also show that stochastic rounding can introduce generalization error that increases with the dimension; such a phenomenon is absent in standard real-valued optimization and in the deterministic rounding case. Finally, we provide upper bounds on uniform argument stability for stochastic rounding schemes and show that these bounds are tight when the loss can be represented as a sum of coordinate-wise functions.
Authors: Ke Hu, Shutong Ding, Panxin Tao, Jingya Wang, Ye Shi
Abstract: Generative policies provide expressive and multimodal action distributions, making them attractive for reinforcement learning (RL) in complex continuous-control tasks. Among them, flow-based policies are especially appealing because they generate actions through deterministic transport maps. However, applying such generative policies to likelihood-based on-policy learning remains limited by the difficulty of evaluating the probability of executed actions. Existing flow RL methods either replace the true action-density ratio with approximate surrogates, which can introduce biased updates, or recover exact likelihoods through dummy-action augmentation, which enlarges the policy space and increases computation. In this work, we propose GenPO++, a reversible generative policy optimization framework that uses history states as auxiliary memory in a high-order reversible ODE solver, yielding exact inversion without changing the original action dimension. The resulting generative policy map has a log-determinant determined only by fixed solver coefficients, enabling exact and Jacobian-free likelihood-ratio computation. This design preserves the expressiveness of generative flow policies while avoiding both action ratio bias and dummy-action overhead. We evaluate GenPO++ on large-scale simulated control, fine-tuning, and real-world robotic manipulation tasks, where it achieves competitive or superior performance over state-of-the-art on-policy RL methods, while improving training stability and computational efficiency.
Authors: Alma Rahat, Tinkle Chugh, Jonathan Fieldsend, Richard Allmendinger
Abstract: This paper presents a general acceleration mechanism for multi-objective Bayesian optimisation (MOBO) that leverages Gaussian process predictive gradients as auxiliary signals. Rather than replacing existing Pareto-compliant acquisition functions, the proposed approach augments them with local stationarity information derived from surrogate-derived gradients, enabling faster convergence toward the global Pareto set under limited evaluation budgets. Two catalyst instantiations are investigated: an adaptive Multiple-Gradient Descent Algorithm-Based Catalyst (MGDA) and a predefined-weight variant that enables focused exploration when budgets are tight. Experiments on the DTLZ benchmark suite (using 2 objectives and 10 decision variables) show that predictive gradient catalysis can deliver significant acceleration compared to other acquisition functions (EHVI, AugTch, tMPoI, SAF) when surrogates are accurate, particularly for stationary problems.
Authors: Xueyang Li, Jinlei Ma
Abstract: While green finance has become a key instrument for low-carbon city transitions, its actual decarbonization effects and transmission mechanisms remain unclear. This study employs econometric models and machine learning-based analysis to examine whether and how green finance reduces city-level carbon intensity. Results show that green finance significantly lowers carbon intensity, with green bonds and green investment having the strongest impacts and evident spatial spillovers. The effects vary by development level, being most pronounced in Fourth- and Fifth-tier cities. Mediation analysis reveals that green finance operates mainly through energy structure optimization, followed by industrial upgrading, foreign direct investment, and technological innovation. SHAP analysis confirms substantial differences across financial instruments, with green bonds, funds, and credit contributing most to decarbonization. Moreover, the marginal impact is stronger in cities with low technological capacity, high industrial dependency, and coal-based energy mixes. These findings provide theoretical support and policy guidance for building a multi-level, regionally differentiated green finance system to promote inclusive low-carbon transitions. Keywords: Green Finance; Carbon Intensity; Decarbonization Effect; Machine Learning; City
Authors: Jalen Jiang, Chufan Gao, Ethan Rasmussen, Stephen Z. Xie, Jimeng Sun
Abstract: The generation of high-fidelity synthetic Electronic Health Records (EHR) is crucial for advancing medical research while preserving patient privacy. However, head-to-head comparison of existing generative models is hindered by disjointed codebases, incompatible data loaders, conflicting library dependencies, and inconsistent evaluation protocols. To address these gaps, we introduce a lightweight, end-to-end benchmarking framework for reproducible synthetic EHR evaluation, organized as a unified pipeline spanning data ingestion, standardized model training, and architecture-agnostic evaluation. Our current implementation targets the generation of longitudinal ICD diagnosis codes -- the most commonly studied modality in this literature -- and is built on the community-maintained PyHealth library. We reimplement and unify strong baselines (MedGAN, CorGAN, PromptEHR, HALO) under full ICD-9 vocabulary granularity, and add a lightweight GPT-2 baseline from the general-purpose sequence-modeling literature. We contribute a rigorous, architecture-agnostic privacy-utility evaluation suite that applies identically to GAN- and transformer-based generators, and report bootstrapped confidence intervals across all metrics. We further analyze the poor long-tailed performance of existing models and discuss the extensibility of our framework beyond diagnosis codes. By lowering the engineering barrier to running, extending, and evaluating under a single pipeline, we introduce a starting point for community-driven reproducibility and benchmarking synthetic EHR models.
Authors: Yongliang Miao, Fengyuan Liu, Wei Shi, Yanguang Liu, Fei Sun, Na Zou, Mengnan Du
Abstract: Supervised fine-tuning (SFT) is a prevailing method for adapting large language models to reasoning tasks by imitating offline expert demonstrations, often treating a single expert trajectory as the target behavior. However, reasoning is not simple path imitation: rigidly following one demonstrated solution may overfit to surface forms and suppress the model's own reasoning distribution. We propose Rollout-Adaptive Supervised Fine-Tuning (RASFT), a policy-aware SFT framework that calibrates expert supervision according to problem-level solvability estimated from verified on-policy rollouts. For each problem, RASFT strengthens expert guidance when the current policy struggles, while relaxing rigid imitation and incorporating correct self-generated trajectories when the model already exhibits reliable reasoning behavior. To preserve useful reasoning priors, RASFT further introduces a clipped inverse ratio between the frozen reference model and the current policy to constrain excessive policy drift. Experiments across multiple models on six mathematical reasoning benchmarks and two code reasoning benchmarks show that RASFT achieves better overall performance than SFT, SFT variants, and representative RL methods. The code is available at https://github.com/zjd1sq/RASFT.
Authors: Chenhao Zhang, Chris Lin, Su-In Lee
Abstract: We propose a unified mathematical framework for a geometric understanding of concept learning and neuron interpretation in sparse autoencoders (SAEs). While SAEs improve interpretability of neural networks by learning sparse feature representations, a principled definition of ''concept'' and ''learning'' remains unclear. We formalize concepts as sets of data points and cast concept learning as a set-alignment problem between human-defined and model-induced concepts. This formulation distinguishes three increasingly strong notions of learning -- detection, separation, and approximation -- and yields geometric conditions, error bounds, and capacity constraints for when concepts can be represented by individual neurons or multi-neuron units. It also provides a set-theoretic account for common SAE phenomena, including feature splitting, feature absorption, feature families, and hierarchical concepts. Finally, we connect concept learning and neuron interpretation through formal concept analysis, showing that the two directions need not agree and that their many-to-many structure can be organized by concept lattices. Experiments on synthetic data with ReLU and Top-$K$ SAEs illustrate the theory and reveal the effects of SAE size and sparsity on concept learning.
Authors: Jaehoon Lee, Sunghyun Sim
Abstract: Self-supervised learning (SSL) for time-series representation learning is dominated by two paradigms: contrastive methods, which face challenges in constructing positive or negative pairs, and masking-based methods, which disrupt the temporal continuity of time-series signals. Joint-Embedding Predictive Architecture (JEPA) offers a promising alternative by predicting in representation space rather than reconstructing raw inputs. However, existing time-series JEPA variants still rely on masking and therefore inherit its continuity problem. Crop-based Forward JEPA (CF-JEPA) is proposed as an innovative mask-free framework that replaces masking with multi-horizon forward prediction: random crops serve as context views, and short-, mid-, and long-horizon future representations are predicted in the forward temporal direction, directly leveraging the inherent temporal ordering of time-series data as a learning signal. A strong asymmetry is also identified between the online encoder and the exponential moving average (EMA) target encoder, both produced from a single training run: the online encoder develops higher-rank discriminative features, while the EMA target encoder develops smoother, lower-rank temporal features. Exploiting this asymmetry, classification is routed to the online encoder and forecasting or anomaly detection to the EMA target encoder, achieving a 27% reduction in multivariate forecasting mean squared error (MSE) at no additional training cost. Across 126 University of California, Riverside (UCR) and 26 University of East Anglia (UEA) classification datasets, eight electricity transformer temperature forecasting benchmarks, and Key Performance Indicator /Yahoo anomaly detection, CF-JEPA achieves the highest average accuracy and rank on UCR and UEA among self-supervised baselines and ranks second on univariate forecasting and k-nearest neighbors-scored anomaly detection.
Authors: Dang Viet Anh Nguyen, Alma Fazlagic, Kristine Pryds Loft, Filipe Rodrigues
Abstract: Accurate and coherent passenger demand forecasting is essential for Urban Rail Transit (URT) operations. Passenger demand has a hierarchical structure in which origin-destination (OD) flows aggregate to station-level inflows and outflows through conservation constraints. In practice, station-level and OD-level forecasts are often generated independently, producing incoherent predictions that violate these constraints and introduce inconsistencies into operational decision-making. Such issues become more severe during disruptions, when forecasting reliability is most critical. This paper presents the first hierarchical forecast reconciliation framework for joint station-level and OD-level URT demand prediction. A neural Fully Connected Reconciler (FCR) learns a non-linear mapping from incoherent base forecasts to coherent hierarchical predictions while guaranteeing exact structural consistency by construction. The method is benchmarked against OLS, WLS, and Minimum Trace (MinT) variants using Rejsekort smart-card data from the Copenhagen S-train network under one-step, multi-step, and disruption forecasting scenarios. Results show that reconciliation consistently improves OD forecasting accuracy while ensuring hierarchical coherence. Under normal conditions, FCR performs competitively with MinT-based methods. An oracle analysis indicates that perfect station-level forecasts could reduce OD prediction error by up to 34 percent, highlighting the value of improved base forecasts. Under severe disruptions, FCR outperforms classical methods, reducing OD forecasting error by up to 17.45 percent in multi-step destination-side delay scenarios. These findings establish hierarchical reconciliation as an effective mechanism for improving forecast robustness, with the largest benefits occurring under the most challenging operating conditions.
Authors: Jilles S. van Hulst, Jakub M. Tomczak, W. P. M. H. Heemels, Duarte J. Antunes
Abstract: Variational autoencoders (VAEs) learn low-dimensional latent representations of high-dimensional data. When the data lies on a manifold with non-Euclidean topology, the standard Gaussian prior introduces a topological mismatch that degrades reconstruction quality and prevents faithful representation. We present a constructive mathematical framework that resolves this mismatch for all manifolds that admit a product covering space. These are manifolds expressible as products of elementary factors (circles, intervals, or lines) or as quotients of such products by a finite symmetry group. The class includes cylinders, tori, M\"{o}bius strips, Klein bottles, and real projective spaces. Factorized distributions over the elementary factors yield product topologies with closed-form, decoupled KL divergences, so that each latent factor can be shaped independently while keeping training tractable. We catalogue reparametrizable encoder-prior pairs for periodic, bounded, and unbounded supports, and provide coordinate transformations that allow standard neural networks to output non-Euclidean parameters with smooth gradients. For quotient manifolds, the decoder receives group-invariant features of the covering-space coordinates, so that identified points produce identical outputs. Anchor constraints fix the coordinate system relative to the data or create soft topological holes. Experiments on synthetic manifolds and real-image datasets (rotated and cyclically shifted MNIST) confirm that a topology-matched prior aligns KL regularization with the data manifold. The resulting topology-aware models outperform the Gaussian baseline at all practically relevant regularization strengths. The code is available at https://github.com/JvHulst/VAE-Topology.
Authors: Malick Ebiele, Malika Bendechache, Rob Brennan
Abstract: Background: Since 1990 many feature selection methods have been proposed across heterogeneous applications. To validate the usefulness of a new method, it needs to be compared against at least one baseline method from the existing literature on a feature selection task using at least one dataset. Recent developments in tabular Deep Learning (DL) and data valuation in Machine Learning (ML) suggest that the evaluation of new methods, algorithms, and models may be consciously or unconsciously biased. We hypothesise that a similar trend exists in feature selection (FS), particularly in filter feature selection (FFS). The aim of this study is therefore to examine FFS studies to identify factors that influence the evaluation and that might consist entry point for biases in order to recommend stronger principles for FFS evaluation. Methods: We analyse a sample of 28 high profile FFS studies published between 1994 and 2025. The analysis provides reflections on how to examine FFS studies, highlights lessons learned throughout the process, and gives five evidence-based recommendations for future FFS evaluation. Results: Multivariate Linear Regression analysis achieved a score of $R^2=0.33$. It means that 33% of the variance in the performance of new methods against chosen baselines (win rate) is explained by the number of datasets (#Datasets), the number of baselines (#Baselines), and the number of new methods (#NewMethods). Discussion: $R^2=0.33$ is considered medium explanation; which is promising given that this is the first such study. The medium explanation result is due to the fact that win rate is influenced by additional factors such as the maturity of the feature selection domain, the type of datasets and baselines, and the simplicity of the regression model used to explain the relationship.
Authors: Zequn Xie, Junjie Wang, Dan Yang, Jie Feng, Yue Shen, Jian Wang, Jinjie Gu
Abstract: Deep research agents have demonstrated remarkable capabilities in complex information-seeking tasks, yet this power comes at a steep computational cost. Driven by accuracy-focused training paradigms, current models adopt brute-force strategies characterized by blind tool dependency and performative reasoning-generating long, redundant trajectories that are far from necessary for resolving these tasks, leading to wasteful tool calls and excessive token consumption. To overcome this efficiency trap, we propose SlimSearcher, a principled framework that pushes the Pareto frontier between accuracy and computational cost across both Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL). In the SFT stage, SlimSearcher employs Pareto-efficient filtration to distill trajectories that are both successful and economical, guiding the model toward inherently efficiency-aware search behaviors. During RL, we introduce Adaptive Reward Gating, a dynamic reward-shaping mechanism that evaluates relative tool and token efficiency within a sampled cohort. By cascading these adaptive efficiency metrics with a strict correctness gate, our approach effectively avoids the brevity bias associated with absolute penalties and mitigates reward hacking. Extensive experiments on long-horizon benchmarks, including GAIA, BrowseComp, and XBenchDeepSearch, demonstrate that SlimSearcher reduces average tool-call rounds by 17%-58% while maintaining or improving accuracy.
Authors: Zhennan Shen, Yanshu Li, Qingyu Yin, Chak Tou Leong, Zhilin Wang, Yanxu Chen, Rongduo Han, Sunbowen Lee, Yi R. Fung
Abstract: On-policy distillation (OPD) is increasingly used to improve large language model reasoning, but its training dynamics remain poorly understood. We characterize the trajectory of OPD updates in parameter space and compare it with supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR). A suite of parameter-space diagnostics consistently places OPD in a relaxed off-principal regime: compared with SFT, its updates affect fewer weights and avoid principal directions more strongly, while compared with RLVR, they remain less tightly constrained. Beyond this static localization, OPD exhibits subspace locking: its cumulative updates rapidly enter a narrow low-dimensional channel. Constraining training to the update subspace formed early in training preserves OPD performance but substantially degrades SFT, indicating that the locked subspace is functionally sufficient for OPD. Control experiments further show that sparsifying the update tokens and shifting rollout generation off-policy preserve the rank dynamics, whereas mixing the OPD objective with RLVR changes them. Overall, these results suggest that OPD is not merely an intermediate point between SFT and RLVR, but induces its own update geometry in parameter space.
Authors: Kang Liu, Jianchen Hu, Ziyu Qu
Abstract: Stochastic constrained decision-making requires optimizing performance objectives while enforcing statistical requirements such as safety or fairness. However, standard primal--dual methods struggle to update multipliers robustly under stochastic mini-batch feedback, as the noise of mini-batch gradients and constraint estimates can be directly accumulated into the multiplier memory. To address this issue, we propose Residual-Controlled Multiplier Learning (RCML), which reformulates multiplier updating as projected-pressure feedback. The central idea is to decompose the projected multiplier into an effective pressure signal for primal descent and a pressure-memory residual for finite-gain multiplier tracking. To handle heterogeneous and noisy observations, we further augment this residual-integral backbone with modular stochastic stabilization components. For the convex-affine backbone, we establish finite-gain convergence, derive a stochastic residual bound under mini-batch feedback, and show that the residual feedback law admits a local KKT-residual interpretation near regular KKT points of nonconvex problems. Experiments across optimization, allocation, and fair-ranking tasks show that RCML improves feasibility control and multiplier stability while maintaining competitive objective performance. Code is available here.
Authors: Thi Kim Ngan Nguyen
Abstract: The fertility trend in developing countries has experienced a significant decline in the last few decades; at the same time, the role of women in the workplace has improved. To have a better insight of the causality of the rate of women participation in the labor market on the total fertility rate in developing world, this paper divides the dataset of 115 developing countries in the period of 1991-2018 into four continents group (Africa, North/South America, Asia/Pacific, Europe) and then applies a data-driven panel data econometric procedure to mitigate omitted bias. The results suggest that the fertility behaviors of women in the North/South America continents are influenced by their career choice; meanwhile in society of other regions, other factors might be more important to women when thinking of having children. In conclusion, policymakers can reference to the paper and formulate policies to have more incentives in making reproductive decisions and further research in the field needs to consider family policies and patrilocality of developing countries as important data.
Authors: Haoqi Wang, Lorenz K. Mueller, Jiawei Zhuang, Mathieu Salzmann, Lukas Cavigelli
Abstract: Low-bit quantization has been widely adopted to accelerate the inference of large language models (LLMs) by significantly reducing computational cost and memory usage. However, activation outliers pose a major challenge to effective quantization, often leading to notable performance degradation. In this paper, we introduce OffQ, a method designed to mitigate activation outliers in low-bit quantization through a novel offsetting mechanism. Specifically, OffQ first identifies a low-dimensional outlier subspace in the activations using a proposed top-1 PCA, and then concentrates high-magnitude activations into 1 channel via rotation. OffQ then absorbs this concentrated outlier channel by converting its magnitude into a shared offset, thereby reducing the standard deviation of the activations. This offsetting strategy enables effective W4A4KV4 quantization of LLMs using deployment-friendly uniform-grid and uniform-precision quantization. Extensive experiments across diverse LLM architectures and benchmarks demonstrate that OffQ outperforms state-of-the-art baselines, consistently improving model accuracy while preserving low-bit efficiency.
Authors: Santanu Das, Ramyak Bilas, Pascal Esser, Satyaki Mukherjee
Abstract: Autoencoders (AEs) learn low-dimensional representations by mapping data into a latent space while minimizing reconstruction error. Despite their empirical success, theoretical understanding remains limited and largely restricted to linear models or settings without a bottleneck. In this work, we study nonlinear AEs with a fixed finite-dimensional bottleneck in the mean-field (MF) regime. We derive explicit MF learning dynamics for both encoder and decoder, providing a tractable characterization of training in the nonlinear setting. We show that, over finite time horizons, the empirical risk of finite-width networks trained with stochastic gradient descent closely tracks the MF risk trajectory with high probability. At optimality, we further establish that the finite-width risk converges to the MF optimum, demonstrating that finite networks are sufficiently expressive to approximate the infinite-width solution.
Authors: Hikaru Shindo, Yu Deng, Teng Cao, Quentin Delfosse, Christopher Tauchmann, Jannis Bl\"uml, Gopika Sudhakaran, Kristian Kersting
Abstract: Interactive agents trained only against task return can achieve high scores while failing to represent the mechanisms that make their actions succeed. This makes brittle behavior difficult to diagnose and limits adaptation when environment dynamics change. Existing LLM reflection and policy-code repair can revise behavior from failed trajectories, but questions and world-understanding tests are usually used only after training. We introduce an Explicit Symbolic Behavioral Model (ESBM), a trainable behavioral model that couples task performance with evidence-grounded question answering and executable mechanism prediction. An ESBM represents behavior through typed predicates, weighted rules, bounded options and mechanism memory; the mechanism layer predicts symbolic events, object changes, rewards and terminal consequences under action interventions. After each rollout, adaptive questions and active world-model probes convert score failures, QA errors and transition-prediction errors into constraints for local ESBM edits. Candidate models are selected by a multi-criterion rule that jointly evaluates task score, answerability and active world-model consistency. Under the tested Atari-style protocols, ESBM learns high-scoring policies while producing explicit answers and executable mechanism predictions, indicating that adaptive questions can serve as both training pressure and reusable benchmarks for mechanistic policy learning in this setting.
Authors: Zhuphua Cao
Abstract: Raw numerical datasets remain less systematically examined in integrity screening than images, plagiarism, or summary-statistic inconsistencies. We developed the Fabrication-risk Digit Randomness Screening model (FDRS), a statistical and machine-learning framework for detecting non-random digit-pattern irregularities in numerical research data. FDRS integrates single- and joint-decimal-digit tests, Cramer's V, entropy metrics, Kullback-Leibler divergence, digit-preference indices, progressive subsampling, and semi-supervised risk scoring. It was evaluated using an instrument-derived enzymatic absorbance dataset (RawData, n=253) and a blinded manually simulated irregular dataset (ErrData, n=255). RawData showed no significant deviation in single third-decimal-digit analysis, whereas ErrData showed a significant deviation. In joint third-fourth decimal digit analysis, ErrData showed higher Cramer's V, lower normalized entropy, higher KL divergence, and a more persistent progressive-subsampling deviation signal. In internal validation, Elastic-net Logistic Regression achieved the highest AUC (0.98395) and lowest Brier score (0.048439), while Random Forest achieved the highest accuracy (0.926667) and balanced accuracy (0.935). RawData received a low ensemble risk score of 0.124627 and was classified as Grade 0; ErrData received a score of 0.740760 and was classified as Grade 3. External real-world benchmarks supported graded risk stratification: three datasets without identified public post-publication concerns were classified as Grade 0 or 1, whereas two datasets from publicly questioned or institutionally handled articles were classified as Grade 2 or 3. FDRS can prioritize raw numerical datasets for further review by integrating interpretable statistical and machine-learning features. It is an auxiliary digit-structure screening tool, not standalone evidence of fabrication or misconduct.
Authors: Herilalaina Rakotoarison, Steven Adriaensen, Tom Viering, Carl Hvarfner, Samuel M\"uller, Frank Hutter, Eytan Bakshy
Abstract: Information-theoretic acquisition functions such as Entropy Search (ES) offer a principled exploration-exploitation framework for Bayesian optimization (BO). However, their practical implementation relies on complicated and slow approximations, i.e., a Monte Carlo estimation of the information gain. This complexity can introduce numerical errors and requires specialized, hand-crafted implementations. We propose a two-stage amortization strategy that learns to approximate entropy search-based acquisition functions using Prior-data Fitted Networks (PFNs) in a single forward pass. A first PFN is trained to be conditioned on information about the optima; second, the $\alpha$-PFN is trained to predict the expected information gain by training on information gains measured with the first PFN. The $\alpha$-PFN offers a flexible learned approximation, which replaces the complex heuristic approximations with a single forward pass per candidate, enabling rapid and extensible acquisition evaluation. Empirically, our approach is competitive with state-of-the-art entropy search implementations on synthetic and real-world benchmarks, while accelerating the different entropy search variants across all our experiments, with speed ups over 50x. Source code: https://github.com/automl/AlphaPFN.
Authors: Lubna Mahmoud Abu Zohair, Hind Zantout
Abstract: Huntington's disease (HD) is a progressive neurodegenerative disorder that affects motor, cognitive, and behavioral functions, where accurate characterization of disease progression remains essential to improve patient outcome and quality of life. Unsupervised machine learning (ML) approaches have demonstrated the ability to uncover disease progression trajectories and meaningful latent stages from longitudinal data; however, their limited interpretability restricts clinical trust and translation. We extend a previously proposed ML-based disease staging framework by applying an explainability analysis to the extracted feature representations and discovered disease stages. Applied to the Enroll-HD dataset, we first project the learned representations into a lower-dimensional space to intuitively assess whether the resulting clusters align with the progression of established clinical measures. We then use saliency maps to identify the clinical features that most strongly contribute to the learned embeddings over time. Finally, we train a surrogate classifier and apply SHAP to quantify feature importance for cluster assignments and to analyze which clinical variables drive transitions between disease stages. The explainability analysis indicates that the learned embeddings capture clinically meaningful disease structure, aligning with established motor and functional severity scores and exhibiting progressive deterioration across clusters. Within this analysis, SHAP reveals a stratification of disease stages, ranging from early cognitive-motor impairment to severe functional dependency, consistent with known clinical progression patterns, while also highlighting intra-stage variability.
Authors: Anurag Sharma, Sai Teja Chunchu, Prasenjit Mitra, Sandipan Sikdar, Koustav Rudra
Abstract: Language models trained for clinical disease inference are trained on patient data, which may include sensitive and private information, and data owners may request the removal of their data from a trained model due to privacy or copyright concerns. However, exactly unlearning patient-specific data is intractable, and retraining with minor data removal is resource-intensive. While there exists several machine unlearning methods that can be used, their utility is generally restricted to non-medical domains. Moreover, the existing benchmarks for evaluating such unlearning methods primarily utilize synthetically curated datasets, which are not truly representative of real-world systems. Hence, the effectiveness of these unlearning methods in the medical domain is largely unclear. To this end, we introduce REMEDI, an extensive benchmark for machine unlearning tailored to multi-label and multiclass clinical disease inference, where label correlations, longitudinal structure, and safety constraints make unlearning particularly challenging. Unlike the existing benchmarks, REMEDI considers: (1) a relevant application domain (medical), (2) comprehensive unlearning setups involving diverse sets of forget instances, (3) challenging unlearning scenarios including multi-label and multi-class classification tasks, and (4) evaluation metrics involving performance both in terms of utility and extent of unlearning achieved. REMEDI is developed using the MIMIC-III clinical database that contains comprehensive clinical data of patients. Experiments with existing unlearning methods indicate that there exists a trade-off between utility and unlearning performance. They are also largely unsuited to multi-label classification tasks. To facilitate reproducibility, we make our benchmark publicly available.
Authors: Daniel Cie\'slak, Andrzej Czy\.zewski
Abstract: Physics-informed machine learning is often assessed by curve error, although engineering use depends on downstream decisions: ranking candidates, avoiding infeasible designs and limiting regret. We introduce pinn-gym, an open benchmark for material-conditioned lattice design that couples a transparent reduced-order crush-and-impact oracle with five printable polymer cards, dimensionless force-response targets and a protocol spanning curve fidelity, physical admissibility, top-k retrieval and mass regret. Across per-material, pooled and cross-material settings, low nRMSE is frequently insufficient to identify useful design selections. Physics-informed losses alter trade-offs rather than monotonically improving all metrics, and dimensionless conditioning improves comparability without making transfer symmetric. The benchmark is not a certified material model; within the released oracle, candidate generator and material cards, pinn-gym provides a reproducible testbed for evaluating PIML surrogates as decision systems rather than curve predictors alone.
Authors: William Cappelletti, \'Etienne Voutaz, Pascal Frossard
Abstract: Traditional change point detection in dynamic networks assumes abrupt transitions between stationary states, overlooking scenarios of continuous evolution which arise in most real-world applications, such as social networks or physical systems. We address this gap by formally defining regimes as periods of coherent dynamics in temporal graphs, which we characterize as trajectories along geodesics in a suitably defined graph space. This original perspective allows us to define regime changes as significant drifts in dynamics, either toward new trajectories or with pace changes. We leverage graph regression methods to measure the cumulative distance of sequences of observed graphs from the estimated geodesics between their endpoints, in the relevant graph space, which we can combine with change point detection algorithms. We present experiments on dynamic networks, with changing trajectories and varying speeds, in which we outperform state of the art change point detection models. Then, we analyse mobility data during the Covid-19 pandemic, and show that our assumptions on regular network evolution lead to change points that are more aligned to external events compared to the outcomes of baseline methods. Our work is the first to model and detect changes between evolving regimes in graph space, providing a realistic and powerful tool for analyzing complex temporal graph data.
Authors: Raja Sekhar Pappala, Shreyas Vinaya Sathyanarayana, Ronit Kumar Choudhary, Arjun Verma, Deepak Warrier
Abstract: Single-step retrosynthesis needs both accurate first-ranked suggestions and candidate lists that are rich enough for downstream selection. We study this as a proposal-selection decomposition. Our system, RETROSPECT, combines a single Transformer proposal model, which we call the ChemAlign Transformer, with a LambdaMART reranker over structural, reaction-template, upstream-score, and optional DFT-derived descriptors. The generator is trained with hybrid root-aligned and random SMILES augmentation, Pre-LayerNorm, tied embeddings, exponential moving average weights, and a differentiable atom-balance auxiliary loss. On the full USPTO-50K test set of 5,007 reactions, the generator reaches 55.00% top-1 and 86.18% top-10 exact-match accuracy with 99.86% top-1 validity. On the merged candidate-pool benchmark used for reranking, which contains 5,007 test products and about 111 candidates per product, a LambdaMART model trained on the structural feature set reaches 59.4% top-1 with 0.7171 mean reciprocal rank. Feature ablations show that upstream proposal score and template-frequency statistics provide most of the reranking signal, while DFT and reaction-center DFT features provide smaller and less consistent gains. These results support a modular view of retrosynthesis: stronger single-model proposal and learned candidate selection are complementary, and the proposal model can serve as a drop-in component for ensemble systems such as RetroChimera (Maziarz et al., 2024)
Authors: Marco Morik, Xiao Ruiting, Shinichi Nakajima, Stefan Haufe, Ismail Huseynov
Abstract: Classical sparse Type-II Bayesian methods for M/EEG brain imaging support joint estimation of source and noise hyperparameters, but rely on fixed iterative update rules. Although these updates are principled and interpretable, their dynamics cannot be adapted from data. We propose to learn the update mechanism itself while preserving the underlying Bayesian structure by unfolding a classical joint hyperparameter-learning solver into a trainable neural architecture whose layers mirror the original iterations. The resulting framework is initialized to recover the classical solver exactly before training and is enriched through progressively more expressive correction-learning mechanisms, ranging from learnable biases to adaptive MLP and attention-based contextual refinements. In this way, training does not replace Bayesian inference with a black-box predictor, but instead learns structured correction terms while retaining the interpretability and model-based character of the original update dynamics. Structured correction learning therefore aims to improve empirical reconstruction performance without replacing the original model-based inference mechanism. Experimental results show that the learned correction variants improve reconstruction performance and convergence behavior over the baseline unfolded solver while preserving its algorithmic transparency.
Authors: Tongzhou Yu, Mingjia Li, Hong Qian, Wenkai Wang, Zongbao Zhang, Yaoyu Jiang, Xiangfeng Wang, Aimin Zhou, Jiajun Guo
Abstract: Human creativity has emerged as a critical competency in the era of large language models. Assessing creativity in complex, open-ended environments is a grand challenge in data mining, currently hindered by a reliance on standardized simple tasks and the scarcity of fine-grained expert data. As an ecologically valid assessment context, debate reflects multiple dimensions of creativity, encompassing both divergent thinking and convergent thinking. Moreover, debate is a data-rich domain, with a large volume of publicly accessible materials. Current mainstream automated scoring methods are poorly suited to complex settings such as debate, and therefore still rely on costly human evaluation. To this end, this paper proposes DEFINED, a data-efficient computational framework for fine-grained creativity assessment in debate scenarios. DEFINED operationalizes debate creativity through a hierarchical eight-dimensional metric system, implemented via a pre-trained autoregressive language model with a hierarchical scoring head that supports both fine-grained and coarse-grained evaluation. Statements and their associated expert scores were obtained from authentic debate competitions, and a constrained data augmentation strategy was employed to address the elite bias inherent in the original data. DEFINED adopts a mixed-granularity training strategy enabling robust learning from limited fine-grained supervision annotated by trained graduate experts. To rigorously validate ecological validity beyond synthetic benchmarks, we incorporate an empirical study with debate-naive participants, utilizing these authentic data to serve as a qualitative case study for mid-to-low proficiency populations. Across our evaluation protocol, our scoring model achieves accurate and stable scoring, outperforming prompt-based large language model evaluators and existing debate scoring methods.
Authors: Malte Franke, Stefan P. Schmid, Zarko Ivkovic, Kjell Jorner, Andreas Krause
Abstract: The success of generative molecular design hinges on a model's steerability toward high-reward samples. Because many molecular properties are intrinsically linked to molecular size, accurately capturing the joint distribution of properties and the number of atoms is essential. However, current diffusion and flow-based models fix the number of atoms, which ultimately limits their ability to navigate this complex relationship. To address this, we introduce Morph, a flexible-size generative model for conditional and unconditional 3D molecular design based on geometric graphs. By dynamically adapting size, Morph can seamlessly integrate existing structural priors, like scaffolds, and significantly enhances property steering. We show that Morph matches current fixed-size state-of-the-art models while offering the benefit of unparalleled sampling flexibility. We demonstrate out-of-distribution generation in regimes where previous models fail, paving the way for enhanced generative modeling for molecular design.
Authors: Jeonghoon Lee
Abstract: State tracking exposes a sharp limitation of sequence models: the relevant signal is often not a summary of observed tokens, but an ordered latent state that evolves through non-commutative transformations. We introduce a held-out transition-pair falsifier for finite non-Abelian group tracking. The protocol forbids selected ordered generator pairs during training and requires the same local patterns during evaluation, blocking one direct local-transition memorization pathway. In a controlled $S_3 \times S_3$ benchmark, a projected recurrent state model trained only on length-8 sequences produces error-free final-state predictions (perfect 250/250 per horizon) through evaluation horizons up to 1,048,576 tokens across five seeds. Matched native-readout baselines, including bag, GRU, and a single-configuration structured state-space model, remain near floor under the same protocol. Projection-matched GRU, structured SSM, and bag baselines equipped with analogous finite-group prototype readouts also remain near chance under the same split. Mechanism diagnostics show that hard projection coincides with low homomorphism error, low state-consistency drift, and non-trivial commutator separation, while softened projection collapses final-state accuracy. Clean-split audits verify zero verbatim reduced-word overlap and zero structural-template overlap between training and evaluation partitions. The evidence is scoped to this controlled finite-group falsifier rather than to a general architecture ranking. Within that regime, explicit projected non-commutative state composition acts as a useful inductive bias for long-horizon hidden-state tracking.
Authors: Thomas Sesmat, Gabriel Meseguer-Brocal, Geoffroy Peeters
Abstract: Understanding what generative models retain from training data remains challenging, with implications for copyright and privacy. Beyond verbatim reproduction, models can encode subtler traces of their training data that never surface in their outputs yet remain exploitable. We study this regime for Rectified Flows, which are increasingly used in deployed generative systems. We analyse the interpolation path $X_\lambda = (1-\lambda)X_0 + \lambda X_1$ that defines the Rectified Flow training. We show that a gap exists between the reconstruction of train and test data that follows a bell-shaped curve over $\lambda$, wich accumulates during training, while the validation metrics remain stable. The signal has a maximum whose location we derive in closed form under Gaussian assumptions. We validate these predictions on both audio and images and show that the bell-shaped structure is universal, while the peak prediction holds when our assumptions are satisfied. As a proof of concept, we exploit this specific $\lambda$-resolved structure to perform a Membership Inference Attack, distinguishing members of the training set from non-members.
Authors: Yongxian Wei, Runxi Cheng, Xingxuan Zhang, Li Shen, Chun Yuan, Peng Cui, Dacheng Tao
Abstract: Model merging combines several independently fine-tuned experts into a single multi-task model without any training data, reducing the storage, serving, and decentralized-development costs of large foundation models. State-of-the-art merging methods formulate merging as a layer-wise quadratic interference minimization problem. Although this problem admits an exact closed-form pseudoinverse solution, that solution underperforms hundreds of iterations of gradient descent in practice. The iterative loop dominates the cost of the pipeline, yet its effectiveness has remained unexplained. We revisit this regime and show that the iterative solver does not primarily act as an optimizer; rather, it serves as an implicit spectral regularizer for an ill-posed normal equation, where small-eigenvalue directions of the per-layer interference operator amplify proxy noise. Building on this finding, we formalize multi-task model merging as a noisy linear inverse problem and propose a spectral filtering estimator parameterized by a per-direction filter. We instantiate this estimator with SWUDI, a closed-form method that combines a soft exponential filter, which matches the gradient-flow trajectory of iterative descent, with a hard top-K truncation that suppresses noise-amplifying small-eigenvalue directions. Furthermore, we propose SWUDI-A, an adaptive variant that replaces the global rank hyperparameter with per-layer rank rules, further improving robustness across architectures. Both variants share a single symmetric eigendecomposition per linear layer and require no training data or optimizer state. Across four general benchmarks and a multimodal merging benchmark spanning VQA, Geometry, Chart, OCR, Grounding, and modality merging, our proposed spectral solvers match or outperform state-of-the-art merging methods. Crucially, they reduce wall-clock time by 28-72x and peak GPU memory by up to 50%.
Authors: Tao Chen, Yexu Zhou, Zhi Gong, Hengwei He, Hongda Li, Zhewei Chen, Dongjing Wang, Xin Zhang, Decheng Liu, Chunlei Peng, Zheng Chen, Wenyue Ding
Abstract: Multivariate time-series forecasting requires models to reason over temporal dynamics, cross-variable dependencies, and historical input-output correspondences. Recent Prior-Data Fitted Networks (PFNs) suggest that synthetic tasks can be useful for learning transferable inference behavior. However, directly transferring this paradigm to time-series forecasting remains difficult, since temporal order, dynamic lags, and recurring historical patterns are not naturally captured by ordinary tabular priors. Motivated by this observation, we propose Trio, a sample-aware time-series forecasting architecture based on Temporal-Spatial-Sample attention. Temporal attention captures within-window dynamics, spatial attention models inter-variable dependencies, and sample attention retrieves relevant historical lookback-future pairs to guide the current prediction. Rather than claiming a fully general PFN-style forecaster, our goal is to study how historical input-output examples can be explicitly organized and reused within a forecasting model. We further introduce a Time-Series Structural Causal Model (TS-SCM) generator to create structured synthetic forecasting tasks with dynamic lags, cross-variable interactions, noise, feedback, and distributional drift. Experiments on synthetic, industrial, and public benchmarks show that the proposed architecture improves forecasting performance. Exploratory zero-shot experiments further suggest that TS-SCM-generated tasks may provide useful structural priors, while fully general PFN-style time-series forecasting remains an open problem.
Authors: Jacques Raynal, Pierre Slangen, Elsa Raynal, Jacques Margerit
Abstract: Representation learning is central to modern machine learning, enabling transitions from handcrafted features to learned embeddings, latent spaces, foundation models, world models, and digital twins. Yet most research examines how representations are optimized after a representational framework has been selected, while less attention is given to when a new level of representation becomes necessary. We introduce the Bootstrap Theory of Representational Emergence (TBER), a framework describing how new representations arise when existing ones become explanatorily insufficient. In this view, representational innovation is not only driven by more data, larger models, or greater computational power, but also by persistent explanatory gaps: situations in which a representation can still describe observations but can no longer make their organization or transformations intelligible. TBER identifies explanatory insufficiency as a positive signal for representational transition. A representation becomes insufficient not because it is necessarily false, but because its explanatory domain has been exceeded. The bootstrap dynamic follows a recursive sequence: observations reveal anomalies; anomalies expose insufficiencies; insufficiencies motivate new representations; and these new representations generate further observations and possible new insufficiencies.We formalize this process through five stages: stabilized observation, anomaly detection, recognition of explanatory insufficiency, representational emergence, and provisional stabilization. We discuss applications to representation learning, latent spaces, foundation models, world models, digital twins, adaptive biological systems, and scientific discovery. TBER suggests that future AI systems may benefit from mechanisms for detecting the explanatory limits of their own internal representations.
Authors: Si-Yang Liu, Han-Jia Ye
Abstract: Tabular foundation models, exemplified by TabPFN, perform prediction via in-context learning, inferring test labels directly from labeled training examples. They have demonstrated competitive performance, particularly on small-to-medium datasets. However, recent tabular foundation models often improve accuracy with increasingly complex architectures, incurring higher inference cost and limiting practical deployment. In this work, we revisit the original TabPFN design and show that a lightweight row-wise attention-only backbone can remain highly competitive with two simple enhancements: a gated attention stabilization mechanism and a small set of learnable register tokens that provide global context and improve pretraining quality. The resulting model, TabSwift, supports both classification and regression, and is competitive with stronger tabular foundation models (e.g., TabPFN v2 and TabICL) while being more efficient at inference. For latency-sensitive serving, we further introduce an adaptive layer-wise early-exit mechanism that dynamically adjusts inference depth per sample. Overall, TabSwift enables efficient and anytime tabular in-context learning for practical deployments.
Authors: Rafsan Jany, Md. Hamjajul Ashmafee, Iqram Hussain, Md Azam Hossain
Abstract: Classification of sleep stages is one of the most important diagnostic approaches for a variety of sleep-related disorders. Electroencephalography (EEG) is regarded as a powerful tool for examining the association between neurological effects and sleep phases since it correctly identifies sleep-related neurological alterations. During Non-Rapid Eye Movement (NREM) and Rapid Eye Movement (REM) sleep phases, a number of nerve and bodily functions are affected and therefore hold an important role both in their functionalities. This work aims to classify NREM and REM sleep stages from sleep EEG data and present a noble SleepExplain model, an explainable NREM and REM sleep stage classification to explain its predictions. In this work, sleep stages were classified using Random Forest, XGBoost, and Gradient Boosting ensemble classification models. Overall, we obtained an accuracy of 92.54% (Random Forest), 94.25% (Gradient Boosting), and 94.30% (XGBoost). For explainable classification model, we utilized a game theoretic approach, SHAP (SHapley Addictive exPlanations) to offer a convincing explanation for the prediction.
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 of its startup latency. With major architectural innovations such as the V1 API and the introduction of torch.compile, this paper presents the first detailed performance characterization of vLLM startup latency. We break down the startup process into six foundational steps and demonstrate that it is predominantly CPU bound. Each step exhibits consistent and interpretable scaling trends with respect to model-level 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 startup latency for a given hardware configuration, providing actionable guidance for resource planning in large-scale inference environments. All benchmarking datasets, analysis tools, and prediction scripts are open sourced at https://github.com/upb-cn/vllm-startup-profiler.
Authors: Eloy Geenjaar, Vince Calhoun, Scott Daly, Gouthaman KV, Lie Lu, Trisha Mittal, Daniel P. Darcy
Abstract: Photoplethysmography (PPG), a non-invasive measure of changes in blood volume, is widely used in both wearable devices and clinical settings. Recent PPG foundation models either use open-source ICU datasets with pretraining paradigms that require curated data and thus complicate generalization to field-like data, or use closed-source field-like PPG data. In contrast, we propose a PPG foundation model that does not require high-quality or field-like pretraining data, and instead leverages accompanying electrocardiogram and respiratory signals in ICU datasets to select contrastive samples during pretraining. Our approach allows the model to retain and learn from noisy PPG segments, improving robustness at inference. Our model, pretrained on 3x fewer subjects than existing state-of-the-art approaches, achieves performance improvements on 14 out of 15 diverse downstream tasks, including field-like daily activity and heart rate prediction. Our results demonstrate that multimodal supervision can integrate complementary physiological information to improve the robustness of PPG foundation models and enhance their generalization to consumer-grade data.
Authors: Yudi Zhang, Meng Fang, Zhenfang Chen, Mykola Pechenizkiy
Abstract: Large Language Models (LLMs) have recently emerged as powerful controllers for interactive agents in complex environments, yet training them to perform reliable long-horizon decision making remains a fundamental challenge. A key difficulty lies in credit assignment: agents often receive delayed rewards only at the end of episodes. In this paper, we propose Q-Evolve, a self-evolving framework for LLM agents that unifies automatic process-reward labeling and policy learning within a principled in-distribution reinforcement learning paradigm. In each evolving iteration, our method learns an in-distribution critic from a hybrid off-policy dataset that combines expert demonstrations with agent-generated trajectories, stabilizing Bellman backups in sparse-reward settings via a weighted Implicit Q-Learning objective. The learned value function is then used to derive step-wise process rewards through advantage estimation, enabling dense and reliable supervision without environment backtracking or human annotation. Leveraging these signals, we perform behavior-proximal policy optimization that evolves the agent over the data used for process reward labeling, allowing iterative self-improvement without exacerbating distribution shift. We evaluate our method on AlfWorld, WebShop, and ScienceWorld, showing Q-Evolve outperforms strong baselines in sample efficiency, robustness, and overall task performance. Our results demonstrate that stable agent self-evolution is achievable through the co-evolution of process-level supervision and policy, both grounded within a shared in-distribution learning loop.
Authors: Thanawat Lodkaew, Johannes Ackermann, Soichiro Nishimori, Nontawat Charoenphakdee, Masashi Sugiyama, Takashi Ishida
Abstract: A growing failure mode in agent evaluation and training is that models can achieve high evaluation scores by exploiting shortcuts instead of solving the intended task, producing deceptive performance. This makes evaluation scores unreliable as measures of true task-solving ability. We propose CapCode, a framework for constructing coding datasets with randomized tests whose best achievable non-cheating performance is deliberately capped below one. This capped-performance design gives evaluation scores a clearer interpretation: scores substantially above the cap are implausible and therefore provide evidence of cheating. To prevent cheating, we propose CapReward, a reward design based on the CapCode principle to discourage optimization beyond the cap. Experiments across multiple datasets show that CapCode detects cheating while preserving performance ranking of models, and CapReward reduces cheating behavior, yielding models that better follow the intended task specification.
Authors: Mathieu Chalvidal, Florentin Coeurdoux, Eric Vanden-Eijnden
Abstract: We recast classical shrinkage of high-dimensional covariance estimators as empirical risk minimization over a parametric stochastic interpolant between a source and a target distribution. This formalism recovers known shrinkage estimators as special cases and reveals three distinct mechanisms for reducing statistical risk: (i) Scheduling: the interpolant schedule determines the class of admissible covariances, and hence the achievable risk. (ii) Flow maps and couplings: whereas naive constructions amount to assuming independence between the distributions, specific coupling structures (e.g., solutions of optimal transport problems) can lower the empirical risk. Moreover, non-linear flow maps realizing such couplings free the interpolant covariance from the eigenbasis of the empirical estimate, enabling eigenvector regularization. (iii) Early stopping: estimators defined by integrating a regressed vector field afford an additional bias-variance trade-off through approximation of the true interpolant distribution. We then propose a neural estimator of the interpolant, together with an upper bound on its quadratic risk in terms of the interpolant approximation error, and validate both on synthetic experiments. Finally, we apply the estimator to real neuroimaging data, demonstrating the additional regularization power this approach offers in practice.
Authors: Yun-Chen Cheng, Tzu-Hung Huang, Chih-Pin Tan
Abstract: State-of-the-art text-to-music generation systems rely on massive proprietary datasets and industrial-scale compute, making it impossible to disentangle architectural contributions from resource advantages. We propose \textit{score-aware training}, which treats audio-caption alignment score as a direct supervision signal throughout the pipeline. Rather than discarding low-scoring segments, we repurpose them via a CLAP-conditioned Beta noise timestep schedule that routes them to high-noise training regimes, acting as an effective implicit regularizer. Complementarily, segment-level filtering removes the most misaligned examples, and a two-stage caption procedure bridges the distribution gap between verbose training captions and concise inference prompts. A REPA auxiliary loss further transfers structured semantic knowledge from pretrained CLAP and MuQ encoders without additional data. Our 450M-parameter FluxAudio-based system, submitted to the ICME 2026 ATTM Grand Challenge Efficiency Track, ranked 2nd across both tracks in the objective evaluation and 3rd in the Efficiency Track in the final MOS evaluation.
Authors: Stefan Ivanovic, Ge Liu, Mohammed El-Kebir
Abstract: Many scientific problems require inferring unobserved mechanistic latent states from indirect observations. While classical approaches, including expectation maximization, do not scale to combinatorially large spaces, deep learning approaches such as variational autoencoders typically form artificial latent states rather than reconstructing the mechanistic ground-truth states. Here, we introduce GReinSS, a policy learning framework that uses dynamically rescaled rewards to learn latent state distributions that maximize the observed data likelihood. We show that GReinSS accurately reconstructs simulated latent sets and latent graphs, outperforming alternative policy learning and generative modeling baselines. Additionally, GReinSS reconstructs isoforms from real short-read RNA sequencing data that better match isoforms detected by orthogonal long-read sequencing than the standard RSEM algorithm. Overall, GReinSS is a principled and practically effective approach for generative modeling and inference of combinatorial latent states from indirect observations.
Authors: Rohan Shravan
Abstract: This paper reports on training a hundred-billion-parameter sparse mixture of experts on a single eight-GPU node, end to end. LightningLM 0.1V is a recurrence-backbone language model family grown in four stages from a small dense seed, through a 5B and a 9B mixture of experts, to a 120B model with 460 routed experts under top-12 routing. Each larger model is grown from the trained weights of the smaller one; active parameters rise monotonically from 1.78B at the dense seed to 5.93B at 120B (about 5% of the 118.67B stored). The full lineage runs on single nodes, the larger stages at 8K context, reaching a released training loss of 1.78 at 120B scale. This is a systems and experience report. It is organized around three disciplines. Reversibility: a reversible recurrence stack reconstructs activations in the backward pass instead of storing them, holding activation memory flat as the model grows. State-preserving growth: each expansion (dense to MoE, shallow to deep, few experts to many) is given as a reproducible principle paired with the failure that results from getting it wrong; several failures are silent. Single-node economics: the 120B trains through TQP, a strategy of quantized base expert weights and trained low-rank adapters that carries optimizer state on 2.26B adapter parameters rather than 100B+ resident in routed experts, cutting expert-path optimizer state by a factor of ~45. What is new is the integration of known primitives, not any primitive in isolation: one grown lineage running end to end on a single node, documented at practitioner level, with per-domain held-out loss as evidence that targeted capabilities (multilingual Indic competence, code) were learned by construction. Model family, tokenizer, and training code are released.
Authors: Yuxiang Chen, Jun Wang
Abstract: The emergence of "Aha moments" in large language models, particularly DeepSeek-R1-0120, has raised the question of whether these systems genuinely reason or merely imitate the appearance of reasoning. We conduct a comprehensive empirical comparison between model and human reasoning across all 30 problems from AIME 2025, exhaustively annotating 10,247 reasoning steps into five functional categories: Analysis, Inference, Branch, Backtrace, and Reflection. We find a clear structural difference. Human solutions maintain a compact alternation between analysis and deduction, whereas DeepSeek-R1 frequently revisits intermediate results, performs shallow and often unnecessary verification, and loops through local checks without meaningful logical progress. We describe this as topological mimicry: reproducing the surface form of reasoning without its functional role. Despite this, we identify two signals of genuine reasoning. First, successful traces exhibit stable use of branching and backtracking, while failed traces either underuse or overuse exploratory actions. Second, reflection is only effective when placed within deductive inference; reflections trapped in analysis loops focus on local numerical details while missing global logical errors. These findings suggest that current long-CoT models may be rewarded more for the appearance of reasoning than for genuine deductive progress. We discuss directions for improving evaluation and training, including measuring cross-trace stability, penalising "spinning-wheel" traces, encouraging deeper logical correction, and reallocating inference-time compute toward deduction and backtracking. Overall, reasoning quality depends not simply on how much reflection occurs, but on whether reflection appears consistently and at the appropriate logical scale.
Authors: Simon Schug
Abstract: Sparsity allows scaling model parameters without proportionally increasing computational cost. While mixture of experts (MoE) models are made increasingly sparse, individual experts typically remain large and dense. Here, we demonstrate that further increasing sparsity by shrinking each expert to consist of a single neuron and selecting a tiny fraction of many available neurons can improve compute efficiency and interpretability. Counterintuitively, the key to achieving both is removing the nonlinearity typically applied to the experts, resulting in a network of sparsely gated linear neurons (sgatlin). In an isoflop comparison, we find that replacing all transformer feedforward layers with sgatlin improves perplexity in language models across different compute budgets. At the same time, the sparsity and linearity of the resulting feedforward circuits present new opportunities for model interpretability. In a small-scale case study, we demonstrate that feedforward circuits in sgatlin can be interpreted without having to train additional replacement models. We find that they form semantically structured clusters and are causally implicated in factual recall. Our findings paint a possible path towards compute-efficient and interpretable transformer feedforward layers.
Authors: Abhijeet Praveen, Sareh Soleimani, Cormac Cureton, Aman Sidhu, Kintak Raymond Yu, Cristian Cojocaru, Narges Armanfard
Abstract: Atmospheric plasma spraying (APS) is a widely used coating process in which in-flight particle temperature and velocity strongly influence coating quality. However, these particle characteristics are difficult to monitor continuously during operation, motivating the development of non-invasive data-driven diagnostic methods. In this work, we investigate the predictive potential of high-speed video observations of the plasma plume for estimating in-flight particle characteristics in APS. We introduce three different video-derived feature representations and evaluate them using Tabular Prior-Data Fitted Networks (TabPFN), convolutional neural networks (CNN), and classical regression baselines including Random Forest, Gradient Boosting, Support Vector Regression, and XGBoost. Experiments are conducted using grouped leave-one-out cross-validation on 126 labeled pre- and post-spray video recordings from 63 APS spray runs. Across the engineered feature experiments, TabPFN achieves the most consistent performance for temperature prediction, reaching R2 = 0.86 using the combined feature representation. CNN models particularly perform stronger for velocity prediction, achieving R2 of 0.81. In addition, we evaluate models operating directly on raw video frames using pretrained CNNs and find that the highest performance is achieved by a pretrained CNN with a regression head with R2 of 0.90 and 0.82 for temperature and velocity, respectively. The results demonstrate that video-derived plume information provides a promising and scalable foundation for non-invasive APS diagnostics and real-time process monitoring.
Authors: Hanqiao Yu, Shusen Yang, Xuebin Ren, Cong Zhao
Abstract: A fundamental problem in science is identifying underlying patterns of complex systems in the form of concise mathematical formulas. Current Artificial Intelligence (AI)-based methods have shown strong performance in single-scale systems, yet remain limited in identifying scale-specific formulas in multiscale complex systems. We present Deflex, an end-to-end AI method to automatically extract multiscale formulas with potentially different forms, including invariants and distributions, from complex systems. Deflex consists of two subsystems named Deflexformer and Deflexpressor. Deflexpressor is a lambda-calculus symbolic regression model for higher-order formulas. Deflexformer is a decomposable deep energy model for learning unified representations across scales. Deflexpressor generates synthetic data to pre-train Deflexformer, which then guides formula discovery by decoupling multiscale latent relationships. Across six representative complex systems with diverse behaviors, Deflex achieves up to 7-fold higher efficiency than the state-of-the-art methods while enabling automated multiscale discovery. Our work could be a useful tool for scientific discovery across disciplines.
Authors: Lorenzo Longarini, Alessandro Rongoni, Simone Silenzi, Emanuele Frontoni, Riccardo Rosati
Abstract: At commissioning time, Photovoltaic (PV) operators must forecast production before target-site observations are available, limiting the direct use of standard supervised forecasters. This cold-start setting is addressed with a zero-shot pipeline that generates a synthetic production history from plant metadata and meteorological covariates, enabling time-series foundation models (TSFMs) to forecast through inference-time conditioning. Five TSFMs are benchmarked against classical baselines under strict Cold-Start Baseline, Real Feedback, and Self-Forecast Feedback strategies. The evaluation spans $440$ PV sites across four datasets and diverse climate regimes. Covariate-aware foundation models outperform baselines by approximately $1.7-2\times$: TabPFN-TS achieves the lowest error under Real Feedback (MAE $0.514$, RMSE $0.721$ $kWh$ ${kWp}^{-1}$ ${d}^{-1}$), while Chronos-2 is most robust under Self-Forecast Feedback. Performance is largely insensitive to the synthetic-history source, indicating that accuracy is driven more by the availability of plausible temporal context than by the specific generator.
Authors: Mohammadreza Sadeghi, Sareh Soleimani, Zihan Wang, Narges Armanfard
Abstract: Unsupervised Continual Learning (UCL) aims to enable neural networks to learn sequential tasks without labels or access to past data. A major challenge in this setting is Catastrophic Forgetting, where models forget previously learned tasks upon learning new ones. This challenge is amplified in UCL due to the absence of labels to guide learning and memory retention. Existing mitigation strategies, such as knowledge distillation and replay buffers, often raise memory and privacy concerns. Moreover, current UCL methods largely overlook clustering-specific objectives. To fill this gap, we introduce Unsupervised Continual Clustering (UCC) and propose Forward-Backward Knowledge Distillation for Continual Clustering (FBCC). FBCC employs a continual teacher network with a clustering projector and lightweight task-specific students. Through a dual-phase forward-backward distillation process, the teacher learns new clusters while preserving previously discovered cluster structure without storing past data. FBCC represents a pioneering approach to UCC, demonstrating improved clustering performance across sequential tasks. Experiments on four benchmark datasets demonstrate that FBCC consistently outperforms existing continual learning baselines in clustering accuracy while significantly reducing catastrophic forgetting.
Authors: Takuto Takahashi, Itsuki Nakayama, Takahiro Mitani, Ryosuke Kikuchi, Yuya Sasaki, Makoto Onizuka
Abstract: Node classification in graph neural networks (GNNs) has been widely applied in various fields of graph analysis. GNNs achieve high-accuracy node classification in homophilous graphs, where nodes with the same class label tend to be connected. However, their performance remains limited in heterophilous graphs, where nodes with different class labels are more likely to be connected. In particular, current GNNs derived from graph convolutional networks cannot capture higher-order class label connectivity, which is frequently observed in real-world heterophilous graphs. To address this issue, we propose a novel classifier, Label Context Classifier (LCC), designed to capture higher-order class label connectivity in directed graphs. LCC estimates the class label of a target node by leveraging label context embeddings that are generated through four distinct types of walks. In addition, our approach allows the integration of LCC and any GNN by adaptively learning their importance. Experimental results demonstrate that GNNs integrated with LCC outperform SOTA methods and the label context embeddings improve the node classification performance in heterophilous directed graphs.
Authors: Chris R. Jung, Markus D\"orr, Natalie J\"ungling, Jennifer Niessner, Adam T. M\"uller, Nicolaj C. Stache
Abstract: While Computational Fluid Dynamics (CFD) provides high-fidelity flow fields for optimizing indoor environments, its computational cost limits rapid exploration. To solve this problem generative surrogates offer better distribution modeling than deterministic networks, but iterative sampling is slow. To enable high-quality, single-pass generation, we adapt the novel generative drifting framework to fluid mechanics. We introduce a conditional architecture that performs drifting in a learned VAE latent space and uses label-aware masking to align generated samples with their boundary conditions. Our label-conditioned model matches iterative diffusion in accuracy and flow consistency while running two orders of magnitude faster. Additionally, we propose a spatial-conditioning variant that establishes a promising path towards generalization to unseen geometries. Ultimately, conditional drifting serves as a highly efficient alternative to diffusion based approaches, unlocking real-time CFD surrogates where inference speed is critical.
Authors: Lei Huang
Abstract: Many important outcomes unfold as dynamic cascades, including product adoption, disease spread, financial distress, and information diffusion. A central challenge is to recover the hidden influence network behind these cascades. Existing methods typically assume a specific diffusion model, and their performance degrades substantially when that assumption is misspecified. We propose CascadeNet, a Jacobian-based machine learning framework for network recovery that does not require specifying a diffusion mechanism. The key idea is that the underlying influence structure can be characterized by the Jacobian of the one-step transition function. CascadeNet first constructs a flexible estimator of the transition function, and further applies Neyman-orthogonal debiasing via the Riesz representer, so that the debiased Jacobian is $\sqrt{n}$-consistent and asymptotically normal, enabling formal inference on the network structure. We validate CascadeNet in both a simulation exercise and a real-world empirical application. In simulations, where the data-generating process is known, CascadeNet achieves the highest network recovery accuracy across nine common data-generating processes. In an empirical application to COVID-19 transmission across Spain's 52 provinces, CascadeNet recovers transmission networks that are significantly correlated with the true inter-province mobility network, whereas networks recovered by baseline methods show no significant alignment with the ground truth.
Authors: Ryan Missel, Xiajun Jiang, Linwei Wang
Abstract: Personalized virtual heart simulations face challenges in model personalization and computational cost. While neural surrogates offer state-of-the-art solutions, they typically address either efficient personalization or training generalizable models. Recent work reframes this by learning the process of personalizing a surrogate using limited subject-specific context data, through few-shot generative modeling with set-conditioned surrogates and meta-learned amortized inference. These methods, however, assume a static and diverse training distribution with known task identifiers. When new data becomes available, they require costly retraining with all prior data to avoid catastrophic forgetting - a phenomena where the model forgets earlier tasks when trained on new ones. This is a major limitation in clinical settings where often unlabeled data arrives sequentially and full retraining is infeasible. This paper presents a new continual meta-learning framework to achieve personalized neural surrogates able to not only continually integrate information but also identify whether incoming data stems from a known or unknown dynamics source. By leveraging a continual Bayesian Gaussian Mixture Model over a memory buffer, our framework can infer the identifiers and relationships of data over time - required for effective meta-learning. Empirical results on synthetic cardiac data demonstrate superior simulation forecasting, computational scalability, and resilience to catastrophic forgetting compared to existing baselines.
Authors: Jin Guo, Roy Y. He, Jean-Michel Morel
Abstract: Understanding how training data shape neural network predictions is a central problem in modern learning theory. In 2020, Pedro Domingos proposed an interpolation formula valid for every model learned by deterministic gradient descent. It expresses the model's prediction as an integral, along the optimization path, of a data-dependent kernel that aligns the model's gradients at the test and training data. Such a first-order characterization remains valid for models trained with batch-based stochastic optimization. In this paper, we develop second-order forms of these interpolation formulas. We show that the leading path-kernel interpolation is supplemented by a curvature-weighted interpolation term. For stochastic gradient descent, an additional sampling-induced component appears, coupling the curvature of the prediction with the covariance of mini-batch gradient noise. We also extend the representation to stochastic gradient descent with momentum, where the interpolation structure is preserved but with the weights modified by a memory-related factor. Moreover, we establish a concentration estimate for the terminal prediction, identifying the fluctuation scale around the expected second-order representation. Together, these results provide a refinement of the path-kernel interpretation of neural network prediction.
Authors: Ming Sun, Kun Yuan
Abstract: Decentralized stochastic optimization is a fundamental paradigm for large-scale learning over networks, where agents communicate only with their neighbors and no central coordinator is required. For strongly convex problems, communication efficiency is mainly determined by the condition number \(\kappa=L/\mu\) and the network spectral gap \(1-\beta\). Although deterministic decentralized methods can simultaneously achieve accelerated \(\sqrt{\kappa}\) and \(1/\sqrt{1-\beta}\) dependences, no existing stochastic method attains both improvements at once. In this paper, we propose \emph{Multi-Gossip Accelerated DSGD} (MG-ADSGD), a decentralized stochastic algorithm that combines Nesterov-type primal--dual extrapolation with multi-round fast gossip averaging. The key idea is to couple the gossip depth with the mini-batch size so that additional communication rounds simultaneously improve consensus accuracy and reduce gradient variance. We show that MG-ADSGD achieves the communication complexity \[ \widetilde{\mathcal O}\!\left( \frac{\sigma^2}{\mu n\epsilon}\log\frac{1}{\epsilon} + \sqrt{\frac{\kappa}{1-\beta}}\log\frac{1}{\epsilon} \right), \] where \(\epsilon\) denotes the target accuracy, \(n\) is the number of nodes, and \(\sigma^2\) is the gradient variance. To the best of our knowledge, this bound yields the best currently available communication complexity for decentralized stochastic strongly convex optimization, up to logarithmic factors that are independent of $\epsilon$.
Authors: Fatema Siddika, Md Anwar Hossen, Tanwi Mallick, Ali Jannesari
Abstract: Continual learning in Large Language Models (LLMs) is hindered by the plasticity-stability dilemma, where acquiring new capabilities often leads to catastrophic forgetting of previous knowledge. Existing methods typically treat parameters uniformly, failing to distinguish between specific task knowledge and shared capabilities. We introduce Mixture of Sparse Experts for Task Agnostic Continual Learning (SETA), a framework that resolves the plasticity-stability conflict through adaptive sparse subspace decomposition into task-specific expert modules. Unlike standard updates, where tasks compete for the same parameters, SETA separates knowledge into unique experts, designed to isolate task-specific patterns, and shared experts, responsible for capturing common features. This structure is maintained through adaptive elastic anchoring and a routing-aware regularization that jointly protect shared knowledge at both the weight and routing levels and enable a unified gating network to automatically retrieve the correct expert combination during inference. Extensive experiments across diverse domain-specific benchmarks demonstrate that SETA achieves competitive or superior overall performance relative to state-of-the-art continual learning baselines, with particularly strong retention of early-task knowledge and improved backward transfer on LLaMA-2 7B and Qwen3-4B.
Authors: Martin Clason, Joakim Argillander, Didrik Bergstr\"om, Daniel Spegel-Lexne, Giulio Foletto, Ashraf El Hassan, Mohamed Bourennane, Onur G\"unl\"u, Katia Gallo, Rui Lin, Guilherme B. Xavier
Abstract: Quantum key distribution (QKD) is increasingly considered for deployment in realistic communication networks, where long distances, heterogeneous fiber infrastructure, and coexistence with classical traffic present substantial challenges. Here, we demonstrate trusted-node QKD between Link\"oping University and the Stockholm hub of the Swedish national quantum communication infrastructure over 270 km of deployed single-mode fiber, extended by a 33 km multi-core fiber (MCF) segment emulating a metropolitan access link, for a total distance of 303 km. The two sub-links use commercial QKD systems whose receivers are interfaced with external superconducting nanowire single-photon detectors, enabling operation at losses beyond those supported by standard internal gated-mode detectors. We operate the link while actively switching the QKD channel between two MCF cores, with co-propagating Ethernet traffic and injected broadband optical noise in the other cores. The results demonstrate the integration of commercial QKD into demanding, dynamically reconfigurable fiber infrastructure relevant to future hybrid quantum-classical networks. Finally, using the generated secret keys, we illustrate how limited and time-varying QKD throughput affects one-time-pad-protected image transmission: image fidelity depends strongly on the available QKD-generated key budget and the choice of compression algorithm, highlighting application-level challenges for QKD-based encryption in realistic scenarios.
Authors: Himanshu Singh
Abstract: Numerous medical imaging problems must be solved under limited labels and constrained compute, yet it remains unclear whether performance gains are driven mainly by more expressive models or by better representation of clinically meaningful anatomy. We study this question through a low-data anatomy-aware benchmark for 5-class cardiac pathology prediction on the public ACDC MRI dataset. Using segmentation-derived patient descriptors from the right ventricle, myocardium, and left ventricle, we compare anatomy-specific and multi-structure representations across linear, kernel, and tree-based classifiers. We find that under limited label settings, representation dominates complexity. These results suggest that in resource-constrained healthcare settings, identifying and representing the most informative anatomy may matter more than the increasing complexity of the model alone.
Authors: Nishit Singh
Abstract: Machine learning systems deployed in high stakes socioeconomic settings routinely display bias. We formalize bias as a symmetry breaking operation: a classifier is fair if its outputs remain invariant under the counterfactual operation of switching a sensitive attribute, with merit features held fixed. We implement loss based regularization as a symmetry restoring mechanism and evaluate the framework on four synthetic datasets with varying levels of noise, correlation, and bias. The framework achieves upwards of 90\% violation reduction, with accuracy costs around 5\%. This framework does not require causal graph knowledge, is computationally lightweight, and generalizes to any sensitive attribute definable as a bit-flip, making it suitable for contexts where local sources of discrimination remain absent from mainstream benchmarks.
Authors: Rachmad Vidya Wicaksana Putra, Solomon Micheal Serunjogi, Mahmoud Rasras, Muhammad Shafique
Abstract: Transformer-based networks have emerged as prominent AI models with state-of-the-art performance, which potentially pave the way toward artificial general intelligence (AGI). However, their large sizes still hinder their efficient implementation, thus highlighting the need for alternate solutions to enable their energy-efficient acceleration. Recently, state-of-the-art works propose photonic transformer accelerators (PTAs) with significant speedup and energy efficiency improvements over the conventional electronic accelerators. However, their PTA architectures are developed without considering the application constraints (e.g., area, power, energy, and latency). Moreover, their manual design approach also requires huge design time to determine a suitable architecture for the targeted application, hence making this approach not scalable. To address these limitations, we propose DxPTA, a novel design space exploration methodology for enabling efficient hardware/software co-design of the appropriate PTA architecture that meets all constraints. It is achieved by (1) identifying the PTA architecture parameters based on the coherent optical dataflow; (2) analyzing the impact/significance of the parameters; and (3) leveraging this analysis for devising a constraint-aware architecture search algorithm. Experimental results show that, our DxPTA can find the appropriate PTA architectures for different transformer-based models (i.e., DeiT-T/S/B and BERT-B/L). It achieves up to 26mm^2 area, 4.8W power, 39mJ energy, and 6ms latency, for constraints of 50mm^2 area, 5W power, 50mJ energy, and 10ms latency; with 15.2x faster searching time than the exhaustive approach. These results demonstrate the potential of DxPTA methodology for enabling efficient PTA designs for diverse AGI-based applications.
Authors: Dalia Chakrabarty, Kane Warrior, Chuqiao Zhang, Akash Bhojgaria, Joydeep Chakrabartty
Abstract: We advance a new probabilistic supervised learning approach that permits reliable, automated, and early individualised prediction of the severity with which a disease will develop in a prospective patient. The prediction capacity is illustrated via the pre-transplant prediction of the score of severity of Veno Occlusive Disease (or VOD) in the digital twin (DT) of the considered prospective patient, where this score parametrises the severity with which VOD will develop in this patient, after they undergo their Bone Marrow Transplant. The learning of the relationship between the pre-transplant variables, and a severity score variable is undertaken by modelling this relationship as a (random) function that is treated as a sample function of an adequately-chosen stochastic process. The parameters of this underlying process are learnt using a training dataset that is generated using the real-time evolution of retrospective patients in a cohort, with this training dataset subsequently augmented in size by a probabilistic inverse learning of the score of prospective patients. The augmented training set, then permits the learning of the function that capacitates - at the pre-transplant stage - automated prediction of the score of the severity of VOD that characterises the DT of a physical patient in their unique pre-transplant state. This score is subsequently fed back to the real prospective patient as the severity with which VOD will develop in them, after this patient undergoes their transplant. Such a score then permits the treating Haematologist-Oncologists to decide on the treatment regimen, which in this illustration reduces to deciding on treating the patient with Defibrotide. An AI facility is developed to undertake such automated prediction, with the physician inputting the data on the pre-transplant state that characterises the DT of the prospective patient under consideration.
Authors: Bo Liu, Yuan Xie, Yuan Gao, Xiaolong Luo, Peng Ye, Tao Chen, Fujun Han
Abstract: Sudoku is a representative constraint satisfaction problem that requires global structural reasoning under strict discrete constraints. The existing works of solving Sudoku mainly focus on two dominant approaches, i.e., traditional heuristic and deep learning solver. However, they suffer from two complementary limitations: learning-based solvers lack hard correctness guarantees, while complete symbolic solvers are still prone to long-tail search. To address these shortcomings, we propose a novel diffusion model-guided approach, termed as DiBS, for the branch selection search process. Specifically, DiBS keeps the symbolic solver complete and uses the diffusion model as a branch-ordering guide. The core method is ranking candidate values under the current partial assignment and lightweight consistency signal. Furthermore, we provide an in-depth theoretical proof to reveal how it works and why it works. Experiments on the challenging Royle 17-clue Sudoku benchmark show that our DiBS substantially reduces search cost relative to strong heuristic baselines, especially in nodes, backtracks, and long-tail percentiles. Besides, these results confirm that learned global guidance is effective on hard instances where branch-order mistakes are most expensive. All codes are available at https://github.com/shanxierdan/DiBS.
Authors: Yanghan Wang, Zhiqiang Kou, Fu Feng, Jing Wang, Xin Geng
Abstract: Open-weight LLMs are increasingly fine-tuned into customized assistants, but downstream fine-tuning can weaken safety alignment and make models more vulnerable to malicious prompts, even when the training data is not intentionally harmful. This creates a recurring safety recovery problem as target models are repeatedly updated with new task data or user interactions. We propose SafeGene, a reusable safety-adapter module designed for cross-task reuse within each architecture-compatible model family. Rather than treating safety recovery as a model-specific repair step, SafeGene treats safety capability as an independent, reusable adapter representation decoupled from task-specific updates. This representation is obtained from aligned--degraded model discrepancies, refined into task-transferable safety vectors through data-aware layer selection, and expressed in each downstream task-adapted model via few-shot layer-wise coefficient recalibration. Experiments across multiple model families, downstream tasks, and safety judges show that SafeGene-enhanced models reduce harmful response rates while maintaining downstream performance, outperforming representative safe adaptation methods in safety--utility trade-off.
Authors: Reed Lau
Abstract: FP8 (E4M3) acceleration for attention computation offers significant throughput gains, but the 3-bit mantissa introduces precision challenges when the softmax probability matrix~$P$ is cast to FP8 before the $P \cdot V$ matrix multiplication. We analyze two implementation choices that affect output precision under the \emph{Attention Sink} phenomenon: (1)~the KV block iteration order, and (2) the static scaling factor applied to $P$ before casting. We show that forward KV iteration causes \emph{P-collapse} -- to leading order a fraction $\Phi(\Delta + \delta_k - 6.93 - \ln S)$ of non-sink $P$ values underflow to zero, where the small shift $\delta_k \approx 1$ (for $k_{\text{sink}}{=}4$) is the expected within-sink-block score maximum -- and that reverse iteration removes it, with a zero-underflow guarantee when reverse is combined with $S{=}256$. We further give a constructive characterization of $S = 256 = 2^8$ as the static scale that simultaneously satisfies (i)~bit-exact IEEE 754 scaling, (ii) the lower envelope of a sawtooth function $dp(S)$ over the E4M3 number line ($dp = 2^{-4}$, the minimum worst-case quantization step), and (iii)~the maximum normal-range coverage \emph{among bit-exact ($2^k$) scales} (a non-bit-exact scale such as $448$ attains slightly higher coverage; sec.5}). Both optimizations are already deployed in FlashAttention-3/4 on engineering grounds; our contribution is a quantitative account of \emph{why} these choices are good and a closed-form threshold $\Delta_c = 6.93 + \ln S - \delta_k$ for predicting kernel-level precision loss. Kernel-faithful experiments ($Q, K, V$ in FP32 to isolate the P-cast effect) show $3$-$10\times$ MSE improvement at moderate sink strengths, and paired tests confirm both fixes saturate to the same precision floor when combined -- which motivated updating the hpc-ops kernel from $S{=}1$ to $S{=}256$.
Authors: Ruida Wang, Jerry Huang, Pengcheng Wang, Xuanqing Liu, Luyang Kong, Tong Zhang
Abstract: Equipping Large Language Models (LLMs) to execute reliable multi-step workflows has become a central challenge in artificial intelligence. Despite recent advances in LLMs' agentic capabilities, most agent systems still lack formal methods for specifying, verifying, and debugging their workflow and execution trajectories. This challenge mirrors a long-standing problem in mathematics, where the ambiguity of natural languages (NLs) motivates the development of formal languages (FLs). Inspired by this paradigm, we propose **Lean4Agent**, to the best of our knowledge, the first framework that uses Lean4, a dependent-type FL to model and verify agent behavior. **Lean4Agent** launches **FormalAgentLib**, an extensible Lean4 library for formally modeling and verifying agent workflows' semantic consistency under explicit assumptions, and enabling localization of execution-time failures revealed by trajectories. Building on **FormalAgentLib**, we further develop **LeanEvolve**, which applies results in **FormalAgentLib** to revise workflows to enhance its capability. Extensive experiments on a hard problem subset of SWE-Bench-Verified and a subset of ELAIP-Bench across 5 leading LLMs indicate that the verification-passing workflows outperform the failing ones by an average of **11.94%**, and **LeanEvolve** further improves SWE performance by **7.47%** on average. Furthermore, **Lean4Agent** establishes a foundation for a new field of using expressive dependent-type FL to formally model and verify agent behavior.
Authors: Tewodros Syum Gebre, Jagrati Talreja, Leila Hashemi-Beni
Abstract: Accurate and scalable flood mapping remains challenging due to limited ground observations, heterogeneous terrain conditions, and the difficulty of enforcing hydrodynamic consistency within data-driven models. This work introduces a physics-guided deep learning framework that integrates multi-modal remote sensing (Sentinel-1 SAR, Sentinel-2 optical imagery, and DEM-derived terrain features) with constraints from the depth-averaged shallow water equations (SWE). The proposed hybrid architecture combines a UNet to capture fine-scale spatial details with a Fourier Neural Operator (FNO) to model basin-scale hydraulic interactions, while physics-informed residual losses ensure mass and momentum consistency. Evaluated across diverse floodplain settings, the hybrid model achieves an Intersection over Union of 0.82 and an F1 score of 0.90 for flood extent prediction, outperforming UNet-only and FNO-only baselines. Using hydrodynamic simulations as reference data, the model achieves an RMSE of 0.21 m for water depth and 0.15 m/s for flow velocity. Physics consistency is maintained, with low residuals and mass imbalance below 2.1%. Ablation studies confirm that removing physicsbased regularization significantly degrades performance, underscoring the value of physical constraints for stability and generalization. These results demonstrate that embedding hydrodynamic principles into deep learning yields more accurate, reliable, and physically coherent flood predictions, offering strong potential for operational monitoring and large-scale deployment.
Authors: Sherin Muckatira, Jesse Geneson, Slava Gerovitch, Pavel Etingof, Mikhail Gronas, Anna Rumshisky
Abstract: Large language models have made substantial progress on mathematical reasoning, but existing benchmarks typically evaluate well-specified problems with final answers, step-by-step solutions, or complete proofs. They do not capture collaborative open-problem solving: a setting in which participants propose partial arguments, identify gaps or errors in prior steps, repair flawed reasoning, and gradually synthesize incremental contributions into a proof. We introduce CrowdMath, a dataset of 164 expert-annotated progress chains from the MIT PRIMES--Art of Problem Solving (AoPS) CrowdMath program (2016-2025), a collaborative research initiative whose discussions have led to peer-reviewed publications. Each chain traces a multi-participant forum discussion from an open-problem statement to a completed proof. Posts are labeled by their functional roles in the evolving solution process, including partial progress, proof completion, erroneous reasoning, and error identification. We define evaluation tasks and benchmark six frontier models. Models achieve 83-88% accuracy on next-post prediction, suggesting that they can follow the local flow of mathematical discussion. However, they struggle to identify the functional significance of individual contributions with the best model achieving only 0.42 macro-F1 on post-role classification. CrowdMath exposes a gap between solving well-specified mathematical problems and understanding collaborative mathematical progress as it unfolds.
Authors: Ovishake Sen, Venkata Nithin Kamineni, Daniel Lobo, Swarup Bhunia, Rickard Ewetz, Baibhab Chatterjee
Abstract: Energy-efficient neural-network inference at the edge requires reducing arithmetic cost, memory traffic, computation energy, and storage overhead while maintaining acceptable accuracy. This paper presents an ablation-focused study of NVFP4 quantization for edge-efficient neural networks, with emphasis on the relationship between activation precision, weight precision, block-size scaling, retraining, and model accuracy. NVFP4 activations are represented using 4-bit FP4 data, an FP8 block scale, and an FP32 tensor scale, enabling ultra-low precision inference while preserving activation dynamic range. A block-size ablation over six edge-efficient models shows that block size B = 16 provides a practical accuracy/storage trade-off, requiring only 4.5078 bits per input for N = 4096. A weight precision ablation further shows that FP8 and FP16 weights provide only modest gains over FP4 weights under the same NVFP4 activation path, suggesting that activation quantization and scaling dominate much of the accuracy behavior. To isolate the benefit of the NVFP4 data type, this work compares conventional unscaled FP4 activation inference and NVFP4 activation inference with and without retraining. The results show that conventional FP4 inference collapses accuracy for most compact models, while NVFP4 without retraining already recovers substantial accuracy by restoring activation dynamic range through FP8 block scaling and FP32 tensor scaling. When combined with retraining, NVFP4 achieves the best accuracy across the evaluated models, demonstrating the effectiveness of scaling-aware FP4 (NVFP4) inference. These findings provide general design guidance for hardware-software co-design of low power edge inference across a broad range of accelerator platforms, including GPUs, Tensor Cores, FPGAs, domain-specific AI accelerators, near-memory computing systems, and emerging edge-computing architectures.
Authors: Catherine Ge-Wang, Tyler Crosse, Benjamin Hadad IV, Joachim Schaeffer, Ram Potham, Tyler Tracy
Abstract: An attacker that strategically chooses when to attack is much harder to catch than one that attacks indiscriminately. AI control is a safety framework for deploying capable but untrusted AI agents under the oversight of a weaker, trusted monitor and a limited human audit budget. Control evaluations stress-test these protocols by pitting a red-team attack policy against the blue-team monitor, but current evaluations typically assume attackers that do not strategically select when to attack. We study this capability, attack selection, in agentic settings by decomposing attack decisions into a start policy, which decides when an attacker should attack, and a stop policy, which decides when an attacker should abort an ongoing attack. Across two agentic settings, BashArena and LinuxArena, both policies substantially lower measured empirical safety without changing the underlying attack capability. At a 1% audit budget, our start policy reduces safety by 20pp on both BashArena and LinuxArena, and our stop policy reduces safety by 20pp on BashArena and 28pp on LinuxArena. These reductions should be interpreted as upper bounds on the effect of attack selection. Existing control evaluations may therefore yield overly optimistic safety estimates against selective attackers. We recommend that future evaluations, system cards, and safety cases elicit attack selection to produce more realistic safety estimates.
Authors: Faezeh Amou Najafabad, Markus Haug, Keerthiga Rajenthiram, Justus Bogner, Ilias Gerostathopoulos
Abstract: Context. Despite the growing adoption of Machine Learning Operations (MLOps), teams often approach MLOps projects in an ad hoc manner due to the lack of consolidated architectural guidance. The community would benefit from a reference that synthesizes knowledge to inform the architectural design of MLOps systems, especially regarding the integration and deployment of ML models. Objective. In response, our goal is to provide a comprehensive overview of architecturally significant guidelines for the integration and deployment of ML models in MLOps systems. Method. We conduct a gray literature review of 103 web sources to analyze state-of-practice knowledge on MLOps model integration and deployment. We then apply thematic analysis to synthesize these practices into recommended guidelines. Results. We contribute a collection of 25 architecturally significant MLOps guidelines for model integration and deployment, organized into five categories, and describe their impact on the overall system architecture. Conclusion. Our results serve as an overview of state-of-practice MLOps guidelines to support researchers and practitioners with the integration and deployment of ML models in their MLOps systems.
Authors: Malak Allam, Khaled Shaban, Ali Hamdi
Abstract: Automated defect detection in high-voltage transmission-line insulators remains challenging due to severe class imbalance, large scale variation, and the small spatial extent of defect instances in Unmanned Aerial Vehicle (UAV) imagery. To address these challenges, this paper proposes AE-YOLO, an Attention-Guided AutoEncoder-Enhanced YOLO framework for robust insulator defect detection. The architecture integrates lightweight bottleneck autoencoders within a Feature Pyramid Network-Path Aggregation Network (FPN-PAN) neck. This preserves anomaly-sensitive information during multi-scale feature fusion. Convolutional Block Attention Modules (CBAM) are used throughout the backbone, enhancing feature discrimination and suppressing background interference. The framework also introduces a variance-maximizing autoencoder regularization strategy, which encourages diverse, defect-discriminative latent representations. The network trains using a unified objective that combines focal loss, Complete IoU (CIoU) loss, and autoencoder regularization to address foreground-background imbalance and improve localization accuracy. During inference, Weighted Boxes Fusion (WBF) combines predictions from YOLOv8, YOLOv10, and YOLO11. An autoencoder-guided confidence boosting mechanism improves sensitivity to rare defect categories. Experiments on the Insulator-Defect Detection dataset show that AE-YOLO with an EfficientNetV2 backbone achieves 95.10 percent mAP at 0.5, 96.40 percent precision, and 93.80 percent recall. This performance surpasses the strongest YOLO-family baseline by 5.0 points in mAP at 0.5 and 6.7 points in recall. These results confirm the effectiveness and adaptability of the framework. The model is a practical and scalable solution for UAV-based transmission-line inspection and defect monitoring.
Authors: Yucheng Chen
Abstract: Forward-Forward (FF) learning [Hinton, 2022] replaces backpropagation with strictly layer-local goodness updates. Recent FF-CNN work has narrowed the gap to BP on 32x32 benchmarks, raising the question of whether layer-local training is becoming a viable alternative at realistic scale. To probe this rigorously, we develop DTG-FF -- dynamic temperature goodness, decoupled normalization, and multi-layer fusion -- as an instrument that sets FF-family state of the art across nine real-data benchmarks (91.8% CIFAR-10 and the first FF baseline at ImageNet-100 224x224), and use it to audit how far layer-local training actually scales. (1) Real-data scaling. Under identical recipe and backbone, an architecture-matched BP-DeepSup baseline beats DTG-FF by 2.40/5.93 pp on CIFAR-10/CIFAR-100, and the gap widens with class count. At 224x224 the same instrument reaches only 49.4% -- the first FF baseline at this scale, versus typical BP above 75% [Tian et al., 2020] -- exposing a real-data ceiling invisible at 32x32. (2) Synthetic vs. real K-conflict. DTG-FF increasingly outperforms BP as class count K grows on synthetic teacher-student tasks, yet on real images the FF-BP gap reverses sign and widens with K. A within-dataset CIFAR-100 coarse vs. fine probe isolates label-hierarchy from image distribution: synthetic K-sweeps confound output dimensionality with fine-grained discrimination difficulty and thereby overstate FF transferability. (3) Systems audit. FF can be implemented without storing depth-wide activations, but on commodity 8 GB hardware standard BP+gradient-accumulation reaches 4.18 GB / 157 imgs/s versus DTG-FF's 7.90 GB / 138 imgs/s, so a memory-based justification for FF at this scale is not supported under fair baselines.
Authors: Sichen Wang, Zhipeng Lu
Abstract: Noisy evolution strategies under fixed evaluation budgets face a depth-fidelity trade-off: spending evaluations to denoise intra-generation rankings reduces the number of distribution updates the optimizer can execute. We argue for depth over fidelity and propose probabilistic elite membership (PEM), which replaces hard rank-based weights in evolution strategies with conditional expected rank weights that integrate over ranking uncertainty. PEM preserves the conditional mean update while reducing conditional update dispersion, a Rao-Blackwellization of the noisy rank-based step. We instantiate PEM via residual bootstrapping (RB-PEM) with capped per-generation overhead, complemented by an adaptive probe-and-switch mechanism for low-noise regimes. Across the COCO bbob-noisy suite and external tasks including RL policy search and hyperparameter optimization, RB-PEM achieves consistent gains in high-misranking, budget-constrained settings.
Authors: Mathew Varghese
Abstract: Modern game engines spend significant compute animating NPCs with learned motion models. This paper proposes AI Level of Detail (AI LOD), a framework in which machine learning inference precision is adapted based on the distance between each NPC and the player camera. The core idea mirrors classical geometry LOD: substitute a cheaper approximation where the difference is imperceptible. Here, the approximation is a lower-precision quantized machine learning model rather than a lower-polygon mesh. The contribution of this work is the AI LOD concept itself: that inference-time quantization can serve as the LOD axis for AI-driven character animation - and more broadly, for any AI-based runtime system where perceptual sensitivity varies with context. The convolutional sequence-to-sequence model of Li et al. is used as a representative example to demonstrate the concept, with its trained checkpoint exported into three ONNX Runtime variants (FP32, FP16, and INT8 per-tensor), intended to be routed by a distance-based selector at runtime. Evaluation on the CMU Mocap dataset provides initial evidence that each precision tier can be served at its assigned distance range with negligible perceptible degradation, supporting the broader premise that distance-aware ML model precision selection is a viable LOD strategy for AI-based character animation.
Authors: Athanasios Zeris
Abstract: We introduce scale-selective Proper Orthogonal Decomposition (POD) for transformer attention fields, inspired by the use of POD for extracting energetically dominant modes from turbulent flow ensembles. The Morlet continuous wavelet transform identifies dominant temporal scales in the attention lag structure across a document ensemble; POD then extracts the energetically dominant modes at each scale from the ensemble of attention fields. The resulting modes reveal layer-dependent scale organisation, with early layers emphasising fine scales and later layers shifting toward coarser scales. We define a spectral concentration index from the POD eigenvalue decay rate and show empirically that it differentiates layers by their attention field complexity. By the classical POD optimality theorem, the extracted modes minimise the average L2 reconstruction error over the ensemble (Theorem 1), giving a data-driven effective rank for each layer. The method requires no architectural modification and no linguistic annotations: dominant attention patterns emerge from ensemble statistics alone. The turbulence analogy is structural rather than physical: we borrow ensemble covariance and modal analysis, not fluid dynamics itself.
Authors: Jingbo Gong, Yikai Wang, Yushi Lan, Yuhao Wan, Ziheng Ouyang, Rui Zhao, Ming-Ming Cheng, Qibin Hou, Chen Change Loy
Abstract: Object insertion aims to seamlessly composite a reference object into a specified region of a background image. Recent diffusion-based methods achieve high visual quality but formulate insertion as a simple 2D inpainting task, providing no explicit control over the object's 3D pose and limiting their practical applicability. We propose DIRECT (Decomposed Injection for Reference Composition and Target-integration), a novel framework that integrates interactive pose manipulation with high-fidelity 2D image synthesis to enable pose-controllable object insertion. Our method decomposes the insertion conditions into three complementary components: appearance guidance capturing visual details from the reference object, geometry guidance derived from the user-adjusted 3D proxy, and context guidance from the target background. By injecting them through separate pathways, DIRECT avoids feature entanglement and simultaneously preserves reference appearance, follows the user-specified pose, and adapts the object to the target scene. We also introduce an automated data construction pipeline to improve the diversity and quality of training data. Experiments show that DIRECT outperforms previous methods in both geometric controllability and visual quality.
Authors: Nishit Anand, Ashish Seth, Sreyan Ghosh, Dinesh Manocha, Ramani Duraiswami
Abstract: Retrieving music using natural language descriptions has improved with contrastive audio-text models such as CLAP, but current systems remain limited to coarse semantic queries. When descriptions specify fine-grained musical attributes such as tempo, key, chord progression, or rhythmic structure, existing models often fail to retrieve the correct audio. We show that this limitation stems from the contrastive learning objective itself: despite being trained on long captions, CLAP-based models effectively utilize only the first few tokens, discarding much of the information encoded in detailed prompts. Then, we propose FIGMA (FIne-Grained Music RetrievAl), a multi-view contrastive architecture that addresses this limitation by jointly optimizing global audio-text alignment and frame-level, token-wise alignment. This design enables FIGMA to capture both high-level semantic context and fine-grained musical attributes within a unified representation space. Moreover, we formalize the task of Fine-Grained Music Retrieval and construct Fine-Grained Music Caption dataset (FGMCaps), a large-scale dataset of 380K music-caption pairs for training along with a 10K test set, both annotated with tempo, key, chord progression, beat count, as well as genre and mood. Extensive experiments demonstrate that FIGMA consistently outperforms existing CLAP-based music retrieval models across multiple music retrieval benchmarks, including out-of-domain evaluations, with relative improvements of up to 73.3%.
Authors: Jungmin Seo, Jaesik Park
Abstract: How can we plan long-horizon routes that reach designated goals, visit required waypoints, and remain short when only short-horizon offline trajectories are available? This problem matters in offline navigation because collecting sufficiently rich long-horizon data is difficult, yet real agents must still solve long-range tasks with route-level efficiency rather than mere feasibility. The difficulty is twofold: at the microscopic level, composing many short-horizon segments creates a trade-off between search cost and path quality, while at the macroscopic level, waypoint ordering requires comparing pairwise travel costs among start, goal, and waypoint anchors that are unknown before planning and increasingly unreliable when estimated only from long-range temporal distance. In this paper, we propose ChronoForest, a closed-loop planning system that couples local bridge search and online route re-solving through an anchor-chaining tree diffusion planner and an online multi-tree orchestrator. ChronoForest uses temporal distance for short-range guidance and node evaluation, while using search-time bridge evidence to validate long-range anchor connectivity and repeatedly re-solve the route. On OGBench AntMaze-Stitch, ChronoForest achieves 99.8%, 99.3%, and 99.5% success on the medium, large, and giant splits and improves giant-stitch success by up to 34.5 points over prior reported diffusion-based results. On Hamiltonian route-composition benchmarks, online re-solving corrects poor temporal orderings and improves route quality while remaining substantially cheaper than exhaustive planning.
Authors: Richard Li, Aditya Prakash, Andrew Wen, Saurabh Gupta, Yilun Du, Pulkit Agrawal
Abstract: Human video datasets used for cotraining robot manipulation policies largely consist of curated demonstrations where motions are orchestrated to resemble robot behavior and 3D hand poses are captured with specialized hardware. A more plentiful source of data is everyday Internet video, but it is an open question what factors enable transfer from such videos to robots. We investigate this using a new dataset of 532 human videos with 28 hours of high-quality triangulated hand labels and natural motions. We find that hand pose quality affects transfer, but even with accurate hands, the inherent motion gap hinders transfer unless the vision and policy networks specialize to each embodiment. Our cotraining recipe yields consistent improvements, with an absolute success rate gain of $29.7\%$ in the low-robot-data regime across six manipulation tasks.
Authors: Tang Li, Yanlin Chen, Mengmeng Ma, Xi Peng
Abstract: Despite high accuracy, Vision Transformer (ViT) predictions can be driven by spurious cues, raising the need to understand their inner workings before safe deployment. Sparse autoencoders (SAEs) provide a promising lens for decomposing model representations into human-interpretable concepts, yet adapting SAE-based interpretation to ViTs remains challenging due to limited control over concept coverage and subjective, non-scalable feature interpretation. To fill the gaps, motivated by neuroscience-inspired principles, we propose ViSAE, a mechanistic interpretability toolbox for understanding ViT inner workings through concept circuits. ViSAE consists of three components: (1) A probing suite with 64K images and a 16K visually grounded concept vocabulary, improving concept coverage efficiency by 20x over ImageNet and interpretation accuracy by 28.7% over existing concept sets. (2) Top-down concept reading and Bottom-up circuit tracing algorithms that automatically recover ViT inner workings via concept circuits. (3) Applications for auditing and steering ViT behavior. Through concept editing, ViSAE improves the worst-group accuracy on WaterBirds by 48.2%, outperforming existing methods by 23.8%. Our data and code: https://github.com/deep-real/ViSAE.
Authors: Upasana Chatterjee
Abstract: We ask whether topic sentiment has a causal effect on perceived political ideology, and whether the answer depends on who assigns the ideology label. Using articles from AllSides, paired with shared sentiment annotations from Llama-3.3-70b-versatile, we compare ideology labels from expert human annotators, GPT-4o-mini (baseline and finetuned), and Llama-3.3-70B. We apply Double Machine Learning (DML) and community-level mediation analysis across all four annotation paradigms. Human annotations yield no significant causal effects at the community level. Fine-tuned GPT-4o-mini achieves the highest classification accuracy (F1=72.48) and is the only annotator paradigm that produces significant community-level treatment effects and significant natural direct effects (NDEs) in mediation. We interpret this as evidence of shortcut learning: fine-tuning on ideology-labeled data causes the model to internalise a spurious sentiment--ideology coupling not operative in human judgment for this task. This coupling is structurally invisible to F1-based evaluation, with implications for the use of LLM annotations as silver labels and as proxies for human judgment in downstream causal analyses.
Authors: Zhiling Yan, Dingjie Song, Hanrong Zhang, Wei Liang, Yuxuan Zhang, Yutong Dai, Lifang He, Philip S. Yu, Ran Xu, Xiang Li, Lichao Sun
Abstract: Self-evolving agents requires adaptation after deployment, but existing approaches assume a usable learning loop, such as curated skills, successful trajectories, or verifier signals. Real open-world deployments may provide none of these, offering only a task prompt. In this work, we study open-world self-evolution, where an agent must build both its skills and its own verification signals from scratch, using open-world resources but no target-task supervision. We propose OpenSkill, a framework that bootstraps this loop: it acquires grounded knowledge and verification anchors from documentation, repositories, and the web, synthesizes them into transferable skills, and refines those skills against self-built virtual tasks grounded in the anchors rather than in target answers. The open world thus supplies both the knowledge to be learned and a supervision-independent practice environment, with target-task supervision reserved for final evaluation. Across three benchmarks and two target agents, OpenSkill attains the best automated pass rate while satisfying the no-supervision constraint. Analysis shows its skills transfer across models without model-specific adaptation, and its self-built verifier aligns with ground-truth outcomes despite never accessing them.
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: Junyu Zhou, Puyu Wang, Yunwen Lei, Yiming Ying, Ding-Xuan Zhou
Abstract: Recent progress has been made in understanding the statistical generalization performance of gradient descent methods for overparameterized neural networks within the neural tangent kernel (NTK) regime. However, most of the existing work on regression problems is limited to shallow network architectures, leaving a notable gap in the theory of deep neural networks. This paper addresses this gap by presenting a comprehensive generalization analysis for deep ReLU networks trained using gradient descent (GD) and stochastic gradient descent (SGD). Specifically, we establish the first known minimax-optimal rates of excess population risk for both GD and SGD with deep ReLU networks, under the assumption that the network width scales polynomially with respect to the network depth and training sample size. Our results demonstrate that with sufficient width, gradient descent methods for deep ReLU networks can achieve optimal generalization rates on par with kernel methods.
Authors: Qiyao He, Zhanzhao Li, Kai Gong
Abstract: Establishing quantitative relationships among mix design, raw material properties, curing conditions, and performance remains a long-standing challenge in cementitious materials, particularly for alkali-activated materials with variable precursor and activator chemistry. Here, we curated the largest literature-derived alkali-activated slag (AAS) dataset to date, comprising over 3100 compressive strength records, 155 chemically distinct ground granulated blast-furnace slags (GGBSs), and 24 attributes incorporating precursor chemistry, fineness, and reactivity. Multiple machine learning (ML) algorithms were benchmarked across progressively enriched feature scenarios, demonstrating that integrating GGBS compositions, fineness, curing conditions, and specimen geometry improves predictive performance. The average metal oxide dissociation energy (AMODE), a physically interpretable representation of precursor reactivity, provides a compact alternative descriptor to explicit oxide compositions while enabling comparable predictive performance. Model interpretation revealed physically consistent trends from heterogeneous data, including non-monotonic effects of Na2O dosage and silicate modulus, reduced predicted strength at higher water content and larger specimen size, and coupled oxide-level effects more coherently represented by AMODE than by individual oxide contents. Statistically constrained design space exploration reveals reactivity-dependent trade-offs among strength, embodied CO2 emissions, and cost. The design maps identify high-strength regions with substantially lower CO2 emissions than OPC-based references at similar cost. Overall, this work demonstrates how reactivity-informed ML can extract physically meaningful trends from heterogeneous AAS data and guide source-dependent binder design. The curated dataset is publicly accessible to support advances in cement and concrete research.
Authors: Junyu Zhou, Puyu Wang, Yunwen Lei, Marius Kloft, Yiming Ying
Abstract: Understanding the generalization performance of over-parameterized neural networks has become a central topic in deep learning theory. While recent advances, particularly works under the Neural Tangent Kernel (NTK) regime, have shed light on the behavior of shallow architectures, the statistical generalization properties of deep neural networks (DNNs), especially in regression tasks, remain far less understood. In this paper, we make significant progress toward closing this gap by providing a comprehensive generalization analysis of DNNs trained using gradient-based methods. First, we establish, for the first time, a crucial connection between the learning dynamics of a DNN with smooth activation functions trained via gradient-based methods and those of kernel methods, showing that gradient-based methods on over-parameterized DNNs can fully inherit the favorable learning dynamics of their kernel counterparts. Building on this connection and the well-established optimality of kernel methods, we derive the first known minimax-optimal rates for the excess population risk of both gradient descent (GD) and stochastic gradient descent (SGD), under the assumption that network width scales polynomially with the sample size. Our results demonstrate that, with sufficient width, DNNs trained by GD or SGD can achieve generalization performance comparable to kernel-based methods.
Authors: Gilad Lerman, Teng Zhang
Abstract: Robust Subspace Recovery (RSR) aims to identify an underlying d-dimensional subspace from a dataset heavily corrupted by outliers. Complexity-theoretic results establish a threshold for the problem's computational hardness based on the dimension-scaled signal-to-noise ratio (DS-SNR): the problem is SSE-hard when the DS-SNR is strictly less than 1, and solvable via practical algorithms when it is greater than 1 under general position assumptions. However, the exact behavior of practical algorithms at the critical boundary DS-SNR = 1 has remained unknown. This work resolves the behavior of Tyler's M-estimator (TME) at this critical boundary, consequently establishing a sharp phase transition. Specifically, we prove that TME converges exactly to the true subspace for DS-SNR \geq 1 under a new stability condition, which is less restrictive than the general position assumptions used in prior literature. Our analysis utilizes a decomposition of the TME iterates within a majorization-minimization framework.
Authors: Aparna Rajput
Abstract: We study finite-sample change detection for one-dimensional noisy dynamical systems using partition-based empirical approximations of stationary behaviour. Given observations from an interval-valued process, we partition the state space, estimate a finite transition matrix from observed transitions between partition elements, and apply a small Doeblin-type regularisation to ensure a unique stationary distribution. From an initial reference segment, we compute a baseline empirical stationary distribution \(\widehat{\pi}_{0,\rho}\). For each later sliding window, we compute \(\widehat{\pi}_{t,\rho}\) and define the score \[ S_t=\|\widehat{\pi}_{t,\rho}-\widehat{\pi}_{0,\rho}\|_1. \] Large values of \(S_t\) indicate a change in stationary behaviour relative to the baseline. The statistic detects changes in invariant density or stationary law, but not all possible changes in transition dynamics. Under explicit assumptions on empirical transition concentration, finite-state stationary distribution stability, partition approximation, regularisation bias, and noise stability, we derive a finite-sample bound for the empirical stationary density. The bound separates sampling error, regularisation bias, partition approximation error, and noise bias. We then obtain a single-window false-alarm guarantee and a sufficient detection condition when the invariant density changes by more than the estimation error. We illustrate the method on synthetic noisy beta-map change-point experiments.
Authors: Arthur Bouton, Tristan D. Hasseler, Michael Paton, Travis Brown, Jacob Levy, William Reid, Joshua Martin, Hari Nayar
Abstract: This paper presents ERNEST, a four-wheeled planetary rover concept equipped with a two-degree-of-freedom Active Gimbal Suspension that combines yaw and roll actuation to enable wheel reconfiguration, steering, and active load redistribution. A single neural network controller, trained to track a desired path across challenging terrain, fully unlocks the capabilities of this actuated suspension system for autonomous obstacle negotiation. A reinforcement learning framework is developed using the high-fidelity DARTS simulation engine, which combines rigid-contact dynamics and Bekker-Wong terramechanics, enabling the emergence of locomotion strategies adapted to loose-soil conditions. To obtain a single unified controller across heterogeneous terrains, a policy consolidation strategy merges the experience of terrain-specialized agents into one neural network, eliminating the need for explicit terrain classification and controller switching. The resulting controller operates on a combination of proprioceptive and exteroceptive feedback, including sparse stereo-derived terrain elevation, chassis attitude, joint states, and force-torque measurements. Zero-shot transfer to the physical rover is achieved through domain randomization, sensor noise injection, and model-to-real system identification. Experimental results demonstrate autonomous traversal of rock fields, a bump trap, a wheel-high step, sand ripples, and sandy slopes. On a 20{\deg} sandy slope, the learned controller reduces the cost of transport by 37% on dry sand despite the additional actuation, and achieves superior performance on wet sand where the passive suspension becomes completely immobilized.
Authors: Soo Min Kwon, Alec S. Xu, Can Yaras, Dogyoon Song, Laura Balzano, Qing Qu
Abstract: The transformer's emergent ability to perform in-context learning (ICL) has sparked a wide range of studies designed to understand its underlying mechanisms. Existing works often study how training task diversity, defined either as the number of ICL training task vectors or as the number of function classes from which the task vectors are drawn, shapes both the learning dynamics and generalization capabilities of ICL. While both definitions have uncovered many interesting phenomena, many observations under the latter definition remain theoretically unexplained. This paper presents a minimal analytical model under which these phenomena provably emerge from the properties of the training data. By modeling the training task vectors as a mixture of low-rank Gaussians, we show how training task diversity, defined by the number of non-overlapping columns between subspaces that parameterize the covariance matrices, improves both the generalization and optimization trajectory of ICL with linear attention. In particular, we show that our model can explain (i) why training with task diversity shortens the ICL plateau and (ii) why ICL appears to achieve out-of-distribution generalization. We conclude by empirically demonstrating how our results extend to nonlinear transformers and nonlinear function classes. Overall, our work presents a tractable framework to unify existing observations.
Authors: Parthajit Borah, Sakshi Singh, D. K. Bhattacharyya, J. K. Kalita
Abstract: As malware illustrates a complex structure and behavior, detection of these has been a significant challenge in the domain of cybersecurity along with related services in daily life. So, it becomes crucial to have a reliable and adaptive solution to address the issue. Among the several detection methods developed over the years, one of the most reliable ones is studying and analyzing the structural and behavioral patterns of malware. These patterns of sophisticated malware can be obtained with the help of Function Call Graphs (FCGs). However, to effectively cover numerous groups of families of malware, it is required to have a sufficiently large dataset for the system to operate on. In order to ensure accuracy and robustness of the system, the dataset should comprise samples of different malwares and a benign application for secure execution of the detection process. This paper introduces AMD-FCG, an enhanced Function Call Graph dataset integrated with topological features of malwares. The framework enhances the detection procedure, streamlining the workflow for cybersecurity professionals and also eliminating the need for dynamic analysis and extensive processing. Therefore, it can be used to develop and deploy more efficient and innovative malware detection systems.
Authors: Sing-Yao Wu, Fengshuo Song, Eli Bozorgzadeh
Abstract: Heterogeneous DNN accelerators improve soft real-time multi-DNN execution by mapping each layer to its preferred accelerator to reduce latency. However, under skewed workloads, large layer-latency differences across accelerators limit scheduling flexibility and increase deadline misses. To address this challenge, we introduce layer variants, customized layer implementations that reduce latency gaps on non-preferred accelerators. We then present Terastal, a soft real-time framework for layer-variant design and scheduling on heterogeneous DNN accelerators. Terastal combines offline heterogeneity-aware virtual budget assignment and layer-variant design, and online scheduling to jointly optimize accelerator mapping and variant selection under timing and accuracy constraints. Experimental results show that Terastal reduces deadline miss rate per model by 40.58%, 30.53%, and 36.27% compared with FCFS, EDF, and DREAM, respectively, while incurring only 2.24% average normalized accuracy loss across models with variants.
Authors: Jiazi Bu, Pengyang Ling, Yujie Zhou, Yibin Wang, Yuhang Zang, Tianyi Wei, Xiaohang Zhan, Jiaqi Wang, Tong Wu, Xingang Pan, Dahua Lin
Abstract: Group Relative Policy Optimization (GRPO) has demonstrated remarkable success in aligning text-to-image (T2I) flow models with human preferences. However, we have identified that the learning loop of current flow-based GRPO is fundamentally decoupled from the learner's current capability, suffering from critical blind spots at both prompt selection and advantage estimation: (i) Existing methods sample prompts randomly, overlooking the substantial impact of data selection on reinforcement learning (RL) efficacy--a factor proven crucial in GRPO for large language models; (ii) They evaluate sample quality solely relying on intra-group statistics, lacking a global perspective to accurately measure true policy improvement. To address these issues, we propose Adaptive GRPO (AdaGRPO), a novel capability-aware RL algorithm tailored for flow models. Specifically, AdaGRPO consists of two principal components: (i) Online Curriculum Filtering Strategy: Dynamically tracks the model's proficiency and adaptively selects prompts that best match its current learning boundary; (ii) Cross-Level Advantage Fusion: Synergistically integrates fine-grained intra-group advantages with macro-level global advantages, providing a comprehensive and unbiased policy evaluation. As a lightweight, plug-and-play module, AdaGRPO can be seamlessly integrated with existing frameworks such as Flow-GRPO, DanceGRPO, and Flow-CPS. Extensive experiments demonstrate that AdaGRPO consistently drives performance gains while significantly stabilizes GRPO training for flow models.
Authors: Adam N. Elmachtoub, Hyemi Kim, Jonathan Y. Tan
Abstract: Data-driven pricing is increasingly prevalent in sectors such as airlines, lending, insurance, and retail. By learning demand models from customer features and setting prices accordingly, these systems may generate discriminatory outcomes that raise fairness concerns. This leads to fundamental questions - how and where should systems incorporate fairness considerations in the pricing pipeline, and how does it ultimately affect societal outcomes? To answer these, we study a stylized model where a seller has a two-stage decision pipeline comprising linear demand model estimation followed by price optimization. The seller considers fairness notions in training loss, price, and demand, under both parity-wise and Rawlsian perspectives. We show that equalizing training loss across consumer groups leads to multiple solutions, which in turn can result in undesirable outcomes despite being a standard approach in fair machine learning. Focusing instead on fairness applied directly to prices or demand, we compare two strategies that enforce fairness in either the demand estimation stage or the price optimization stage. For parity-wise fairness, we characterize when each strategy yields higher social welfare under small fairness levels. We show that when market sizes and prices in the dataset are similar, imposing price fairness in the estimation stage is more beneficial to consumers, whereas imposing demand fairness in the optimization stage yields better consumer outcomes. For Rawlsian fairness, the two strategies coincide exactly. Lastly, we extend our model to alternate demand functions and conduct a case study using real-world vaccine pricing data.
Authors: Vsevolod (V.), Kovalev, Pranay Manocha
Abstract: Scripted vs spontaneous speech detection is appealing for interview guardrails, but benchmark performance can be inflated by shortcuts tied to corpus identity, channel conditions, and recording artifacts rather than speaking style itself. We present SEAM, a shortcut-aware framework for real-time scriptedness detection that combines uniform preprocessing, seam-aware sampling, non-speech augmentation, and a compact DistilHuBERT backbone. With 8s windows, the model achieves 0.971 +- 0.004 ROC-AUC on an external interview-domain evaluation set. Removing the shortcut-prevention components improves internal held-out metrics but sharply reduces external performance, indicating shortcut learning. Post-training quantization reduces the model footprint to 41.8MB with little loss in external performance. The results demonstrate that robust real-time scriptedness detection depends not only on the backbone, but on shortcut-aware data design and evaluation. We release code and model checkpoints.
Authors: Debjyoti Saha Roy, Byron C. Wallace, Javed A. Aslam
Abstract: Modern reasoning models offer surprisingly strong zero-shot performance on challenging multi-label tasks that require selecting a small set of relevant options from hundreds of thousands to millions of candidate labels. We investigate how they achieve this mechanistically. We characterize reasoning as a two-phase process: A broad "shortlisting" of candidates followed by fine-grained reasoning over the resulting set. We provide evidence across a range of datasets that these steps can be isolated and are complementary. Using this characterization, we develop a mechanistic distillation strategy that consistently outperforms standard distillation.
Authors: Qianqian Lei, Soham Bonnerjee, Yuefeng Han, Wei Biao Wu
Abstract: While algorithmic stability is a central tool for understanding generalization of learning algorithms, existing high-probability guarantees typically rely on uniform boundedness or sub-Gaussian/sub-Weibull tail assumptions, which can be overly restrictive for modern settings with heavy-tailed or unbounded losses. We develop a stability-based framework that requires only a finite $L_p$ moment condition. Our first contribution is sharp concentration inequalities for functions of independent random variables under $L_p$ constraints, extending McDiarmid's bounded-differences techniques beyond the classical regime. Leveraging these results, we derive sharp high-probability generalization bounds across a range of learning paradigms, including empirical risk minimization, transductive regression, and meta-learning. These guarantees show that $L_p$ stability suffices for robust generalization even when boundedness fails, substantially weakening the standard assumptions in the stability literature.
Authors: Yonghan Shin, Won-Ki Jeong
Abstract: Multiple instance learning (MIL) has become a standard paradigm for whole slide image (WSI) analysis in digital pathology, as it enables slide-level prediction without dense annotations. Existing MIL methods typically rely on exhaustive extraction and encoding of high-resolution patches. However, this practice suffers from two critical limitations in real-world clinical settings: it struggles to capture global visual cues at lower magnifications, and incurs substantial computational overhead due to the massive number of high-resolution patches per slide. To address these limitations, we propose an efficient low-resolution multiple instance learning (LRMIL) framework that transfers high-resolution knowledge to low-resolution representations. LRMIL adopts a two-stage distillation strategy. First, patch-level cross-resolution distillation aligns low-resolution patch embeddings with high-resolution representations. Second, slide-level knowledge distillation trains a low-resolution student MIL model under both slide-level supervision and teacher guidance. At inference time, LRMIL operates exclusively on low-resolution patches, substantially reducing data preprocessing and computational cost. Extensive experiments on multiple WSI benchmarks demonstrate that LRMIL consistently outperforms state-of-the-art MIL methods while achieving more efficient inference. These results highlight LRMIL as a practical and scalable solution for WSI analysis in clinical pathology.
Authors: Runyu Zhou, Qi Zhang, Qixun Wang, Yisen Wang
Abstract: Vision-Language Models (VLMs) frequently rely on language priors, producing confident answers that are weakly grounded in visual evidence. While this behavior is widely observed, its internal mechanisms and its impact on benchmark evaluation remain insufficiently understood. In this work, we study language-prior reliance from both mechanistic and behavioral perspectives. Internally, we combine counterfactual layer replacement with supervised layer-wise MLP probing to trace how ground-truth visual semantics and language-prior semantics compete across the language decoder. Our analysis reveals a multi-stage bottleneck: intermediate layers often fail to effectively retrieve visual information, while later layers can further suppress surviving visual signals in favor of text-space biases. Externally, we introduce a progressive visual decay metric based on multi-step Gaussian blurring, which identifies instances whose answers remain invariant even as visual content is increasingly destroyed. Across twelve visual question-answering benchmarks and three representative VLMs, we find that a substantial fraction of examples remain answerable under severe or total visual obfuscation, indicating that current benchmarks can inadvertently reward visual ignorance. These findings demonstrate that language-prior reliance is a systematic routing failure affecting both model internals and benchmark validity. Finally, we outline critical pathways for future research, highlighting the necessity of designing training distributions and evaluation protocols built on structurally isolated or counterfactual data to enforce genuine cross-modal grounding.
Authors: Lizhen Zhu, Charantej Reddy Pochimireddy, James Z Wang, Brad Wyble
Abstract: Variations in illumination remain a major challenge for visual representation learning, as they induce substantial appearance changes both across and within environments. While existing approaches typically address this issue through data augmentations that encourage models to become invariant to lighting changes, such strategies do not explicitly model lighting information during learning. Inspired by theories of human vision, we propose a lighting-aware representation learning framework that incorporates illumination variation as an explicit training signal rather than a nuisance factor to be suppressed. Our method extends contrastive learning by introducing an auxiliary objective that captures illumination-dependent variation in rendered scenes, enabling the model to jointly learn representations that preserve semantic consistency while remaining sensitive to lighting-dependent visual structure. We evaluate the proposed model on image classification and object detection tasks across the ImageNet, ExDark, and PASCAL VOC benchmarks. Results demonstrate that the proposed lighting-aware training consistently improves downstream performance over standard contrastive learning baselines, while maintaining the same architecture and training budget. Furthermore, our approach shows promising performance in supervised learning frameworks and under settings involving simpler lighting variation, suggesting broad applicability beyond complex illumination scenarios. These results indicate its potential to enhance model robustness and adaptability in complex visual environments as well as in more conventional image processing tasks.
Authors: Vladislav Smirnov, Chieu Nguyen, Sergey Senichev, Minh Ngoc Ta, Ekaterina Fadeeva, Artem Vazhentsev, Daria Galimzianova, Nikolai Rozanov, Viktor Mazanov, Jingwei Ni, Tianyi Wu, Igor Kiselev, Mrinmaya Sachan, Iryna Gurevych, Preslav Nakov, Timothy Baldwin, Artem Shelmanov
Abstract: Test-time compute (TTC) scaling has emerged as a powerful paradigm for improving large language model (LLM) reasoning by allocating additional compute during inference, e.g., via multi-sample generation and verifier-based reranking. Existing TTC scaling strategies and reasoning scorers remain fragmented, evaluated under inconsistent protocols, and are rarely analyzed through the lens of quality-cost trade-offs. We introduce ThinkBooster, a unified framework for seamless test-time compute scaling of LLM reasoning, which consists of (i) a modular Python library implementing state-of-the-art TTC scaling strategy and scorer families, (ii) a benchmark that jointly evaluates performance and computational efficiency, and (iii) a deployable OpenAI-compatible proxy service that enables drop-in integration of adaptive reasoning into real-world applications. We further provide a demo visual debugger for inspecting the reasoning trajectories, intermediate selection decisions, and alternative reasoning paths. Empirical results on mathematical and coding tasks reveal the performance-compute trade-offs of TTC scaling strategies and scoring methods and demonstrate that ThinkBooster provides practical gains in real-world tasks. The code is available online under an MIT license.
Authors: Muqing Cui, Yidong Zhou, Su I Iao, Hans-Georg M\"uller
Abstract: Predicting outputs that are located in non-Euclidean spaces, such as probability distributions, networks, and symmetric positive-definite matrices, is becoming increasingly important in modern data analysis, particularly when inputs are high-dimensional. We propose DeSI (Deep Single-Index Fr\'echet Regression), a semiparametric framework for regression with metric space-valued outputs and multivariate inputs that assumes a single-index structure for the conditional Fr\'echet mean. DeSI estimates an interpretable index direction, which quantifies the relative importance of inputs, using a deep neural network, and performs Fr\'echet regression along the resulting one-dimensional index in the target metric space. This structure mitigates the curse of dimensionality while retaining interpretability, which stands in contrast to standard deep neural networks. We establish theoretical guarantees for DeSI, including uniform approximation and convergence rates, and demonstrate its strong predictive performance through simulations on distributions, networks, and symmetric positive-definite matrices, as well as an application to compositional mood data from New Jersey.
Authors: Erfan Loweimi, Zhengjun Yue, Andrea Carmantini, Zoran Cvetkovic, Steve Renals, Peter Bell
Abstract: We analyse error patterns of raw waveform acoustic models on TIMIT phone recognition beyond the overall phone error rate (PER). PER is decomposed across three broad phonetic class (BPC) categorisations, and confusion matrices are constructed from substitution errors. Our models combine parametric (SincNet, Sinc2Net) or non-parametric CNNs with Bidirectional LSTMs, achieving 13.9%/15.3% PER on Dev/Test, the best reported results for raw waveform models on TIMIT. Transfer learning from WSJ reduces PER to 11.3%/12.3%, surpassing the Filterbank baseline. Per-BPC analysis reveals that BLSTM layers benefit transition-dependent classes most, while WSJ transfer learning improves consonants roughly three times more than vowels. Confusion patterns are consistent across raw waveform and Filterbank systems, indicating that the dominant confusions reflect inherent phonetic similarities.
Authors: Won June Cho, Daeky Jeong, Hyeongyeol Lim, Hongjun Yoon
Abstract: Synthetic histopathology image generation addresses critical challenges in computational pathology, including patient privacy and the growing need for large-scale training data for foundation models. Latent diffusion models have dominated the image generation domain, with recent works emphasizing that the choice of latent space is critical to the quality of generated images. Existing state-of-the-art generative models in histopathology use pretrained Vision Foundation Models (VFMs) as conditioning signals, and we observe that this leads to "conditioning collapse," where the conditioning signal dominates the latent space and lowers the quality and diversity of generated samples. Therefore, we instead use pretrained histopathology VFMs as the latent space itself, leveraging their patch-token features that encode rich semantic information. We empirically show that these features are $\ell_2$-normalized and lie on the unit hypersphere $\mathcal{S}^{d-1}$ with strong angular dominance and intrinsic curvature, making them naturally suited for a Riemannian formulation. We therefore present STREAM, the first framework to apply Riemannian flow matching in the pathology domain. STREAM consists of two stages: 1) a bridge-type stochastic perturbation that establishes per-token rectifiability on $\mathcal{S}^{d-1}$ for training a Diffusion Transformer (DiT) in latent space, and 2) a novel anisotropic decoder that allocates robustness to low-energy directions of the velocity-field Jacobian while preserving fidelity along its high-energy directions. Together, STREAM achieves state-of-the-art reconstruction and generation performance on breast and colorectal cancer datasets. The code will be publicly released upon acceptance.
Authors: Dian Gu, Zhengyi Yang
Abstract: Pose-guided text-to-image generation often suffers from limb distortions and feature crosstalk in complex multi-person scenarios. While existing UNet-based adapters struggle with long-range spatial dependencies, emerging Multimodal Diffusion Transformers (MM-DiTs) offer superior global modeling. However, naive signal concatenation in MM-DiTs severely disrupts pre-trained latent distributions. To address this, we propose TrioPose, a native pose-driven framework built upon the SD3.5M architecture. Specifically, we introduce a Triple-Stream Pose-Aware DiT (TSPA-DiT) that treats pose as an independent modality. It employs layer-wise activation and zero-initialized dual-residual injection to smoothly enforce geometric constraints while preserving pre-trained latent stability. To resolve severe multi-instance occlusions, we design a Learnable Relational Bias Mask that categorizes topological connectivity into fine-grained physical states, mapping them into continuous attention soft constraints to effectively decouple inter-instance interference. Furthermore, a Pose-Guided Spatial Loss Weighting strategy modulates the native diffusion objective using heatmap-derived error maps, focusing anatomical supervision strictly on distortion-prone regions. Extensive experiments demonstrate that TrioPose achieves state-of-the-art performance across challenging benchmarks, including Human-Art, CrowdPose, and OCHuman. Notably, it attains an AP of $64.33$ on Human-Art, representing a $30\%$ improvement over prior arts, while setting new standards for visual fidelity and text-image semantic alignment in complex multi-human generation.
Authors: Vijitha Mittapalli, Shreyaa Jayant Dani, Satya Srujana Pilli, Snigdha Ansu, Mohammadreza Teymoorianfard, Franck Dernoncourt, Hongjie Chen, Yu Wang, Ryan A. Rossi, Nesreen K. Ahmed
Abstract: Autonomous LLM agents can pursue hidden malicious objectives through sequences of individually benign actions, making sabotage difficult to detect using standard trajectory-level monitoring. Existing approaches either evaluate complete trajectories in a single pass or partition them into independently scored windows, limiting their ability to connect evidence across temporally distant actions. We propose TRACE, a monitoring framework for long-horizon LLM agent trajectories. TRACE operates through a TIJ (Triage-Inspect-Judge) loop that identifies high-signal regions, performs targeted inspection while maintaining accumulated evidence across reasoning steps, and synthesizes a trajectory-level verdict. We evaluate TRACE on ten task domains from SHADE-Arena against state-of-the-art baselines. TRACE achieves an aggregate F1 of 0.713 and recall of 0.844, with the largest gains on tasks requiring long-range evidence linking.
Authors: Chen-Hsuan Fang, Wei-Hsinag Chen, Pin-Hsuan Yu, Jung-Hua Wang, Tsung-Wei Pan
Abstract: Deep neural networks (DNNs) excel in computer vision tasks given large annotated datasets. In real-world applications, however, labels are often corrupted by ambiguity, human error, or dynamic environments. Over-parameterized DNNs easily memorize these noisy labels during training, degrading model accuracy and generalization. Existing data-cleaning and sample-selection strategies often rely on manually specified thresholds, prior knowledge of the noise ratio, or a single metric (either learning dynamics or geometric structure), making them unstable in complex data regimes. This paper proposes a self-adaptive data-cleaning framework that integrates local, global, and learning dynamics cues for robust noisy-label detection. Samples are mapped into a unified low-dimensional feature space through a modular feature concatenation paradigm. We provide two instantiations: a 2D metric integrating class-adaptive KNN-based local disagreement with k-means-based global centroid distance, and a 3D multi-metric that additionally incorporates a z-normalized score. Unlike conventional 1D Gaussian Mixture Models applied to a single scalar metric, our framework performs multi-metric clustering on the feature space to adaptively partition samples into clean-dominant and noise-dominant components without requiring manual thresholds or noise priors. Experiments on CIFAR-10, MNIST, and ImageNet-100 with 5% to 40% symmetric label noise show high recall across settings, including near-perfect recall (>=98%) on ImageNet-100 at 40% noise. Subsequent training yields accuracy gains across evaluated settings, especially under severe corruption on ImageNet-100. These findings suggest that multi-metric integration provides a threshold-free, practical, and low-tuning strategy for noisy label detection.
Authors: Ernests Lavrinovics, Marco Letizia, Roy Janco, Shai Segal, Johannes Bjerva, Maurizio Pierini
Abstract: We present SigmaScale, a method for learning auxiliary scaling matrices $S$ to aid truncated Singular Value Decomposition (SVD) based Large Language Model (LLM) compression. Instead of deriving scaling matrices analytically, SigmaScale optimizes two sets of vectors that define diagonal row and column scaling transformations under an activation-aware compression loss. We show that learned scaling lowers the effective intrinsic rank of weight matrices, as reflected by reductions in effective-rank entropy, and that this reduction is strongly correlated with compression loss. Experiments on Llama 3.1 8B Instruct and Qwen3-8B show that SigmaScale is competitive with closely related state-of-the-art SVD-based compression methods across perplexity and zero-shot benchmarks. By using learned activation-aware transformations, SigmaScale explores a more flexible route to low-rank LLM compression by adapting to the structure of individual model weights. The advantage observed in specific tasks makes our approach a valid option for applications requiring a reduced LLM-inference computing cost.
Authors: Ronald Katende
Abstract: Physics-informed learning is increasingly used for partial differential equation (PDE)-governed inverse problems, but its reliability remains difficult to certify. This paper develops a no-harm certification-and-selection framework for physics-informed inverse learning. A learned reconstruction is accepted only when its residual-calibrated radius is no worse than the baseline radius, namely when $$R_{\mathrm{learn}}\le R_{\mathrm{base}}+\varepsilon_{\mathrm{safe}};$$otherwise, the method returns the baseline. The certificate combines data, physics, boundary or initial-condition, and optimization residuals. Under a conditional stability estimate, these residuals yield an a posteriori reconstruction-error bound and a deterministic uncertainty radius. A high-probability certificate is also derived for physics residuals estimated from independent random collocation points. Numerical tests on Poisson source recovery, inverse heat reconstruction, limited-angle tomography, elliptic coefficient identification, and stochastic residual validation show that the selector accepts certified improvements, rejects shifted, hallucinated, or unfinished candidates, and becomes conservative in strongly ill-posed regimes. The framework is therefore a certification-and-selection layer, not another reconstruction architecture.
Authors: Marcelo Sartori Locatelli, Fernando Tonucci, Jea Kwon, Luiz Felipe Vecchietti, Bryan Nathanael Wijaya, Cheng Yaw Low, Virgilio Almeida, Meeyoung Cha
Abstract: Geospatial understanding is a critical yet underexplored dimension in the development of machine learning systems for tasks such as image geolocation and spatial reasoning. In this work, we analyze the geospatial representations acquired by three model families: vision-only architectures (e.g., ViT), vision-language models (e.g., CLIP), and large-scale multimodal foundation models (e.g., LLaVA, Qwen, and Gemma). By evaluating across image clusters, including people, landmarks, and everyday objects, grouped based on the degree of localizability, we reveal systematic gaps in spatial accuracy and show that textual supervision enhances the learning of geospatial representations. Our findings suggest the role of language as an effective complementary modality for encoding spatial context and multimodal learning as a key direction for advancing geospatial AI.
Authors: Arthur Hoarau, Chenrui Zhu, Vu Linh Nguyen
Abstract: The growing demand for transparency in automated decision-making has propelled eXplainable Artificial Intelligence (XAI) to the forefront of machine learning research. In computer vision, however, existing explanation methods often prioritize end-user accessibility at the expense of formal guarantees, leaving a critical gap between practical utility and theoretical rigor. In this paper, we address this gap by introducing OPTIMUS, a novel framework for generating concept-based visual explanations for deep classification models. OPTIMUS explanations take the form of visual heatmaps that not only remain interpretable to end users, but are grounded in the well-established theory of prime implicants, providing formal guarantees that have been largely absent from existing saliency-based methods. Specifically, OPTIMUS explanations satisfy two desirable properties: sufficiency, ensuring that the highlighted concepts provably guarantee the classifier's prediction, and minimality, ensuring that no strict subset of those concepts retains this guarantee. Together, these properties yield explanations that are both logically tight and visually coherent. We validate our approach on a visual classification benchmark, demonstrating that OPTIMUS heatmaps naturally and faithfully surface the decision-relevant concepts underlying model predictions.
Authors: Justin Y. Chen, Ying Feng, Piotr Indyk, Michael Kapralov, Ekaterina Kochetkova, Boris Prokhorov
Abstract: The attention mechanism is a cornerstone of modern transformer architectures. However, its expressive power comes at the cost of quadratic runtime and linear space usage. In particular, the classical transformer architecture explicitly stores all previously seen input elements (tokens) in order to generate the next one. The problem of implementing a transformer in limited space, known as KV cache compression, has received much interest over the past few years, spurring the development of powerful heuristics. Recent works of Haris et al, COLT'25 and Kochetkova et al, NeurIPS'25, formalized KV cache compression as the streaming attention approximation problem, providing both upper bounds (based on discrepancy theory) and information theoretic lower bounds. However, those papers left open a significant gap between the upper and lower bounds. For example, the space usage of their algorithms increases with the precision parameter, but the lower bound does not get stronger. In this work, we revisit the streaming attention approximation problem and provide nearly tight bounds on its space complexity. On the algorithmic side, we achieve the result through a surprisingly tight interplay between three distinct methods for kernel density estimation: discrepancy-based coreset constructions (e.g., Charikar-Kapralov-Waingarten'24), the polynomial method (e.g., Greengard-Rokhlin'87, Alman-Song'23), and space partitioning (e.g., Andoni-Laarhoven-Razenshteyn-Waingarten'17, Charikar-Kapralov-Nouri-Siminelakis'20). On the lower bound side, our main technical contribution is a new technique for using the INDEX problem with a large amount of side information that we hope will prove useful in other high dimensional geometric estimation problems.
Authors: Zixi Li, Youzhen Li
Abstract: Confidence-based loss weighting is usually avoided in generative models because it accelerates errors when the model is confidently wrong, but this intuition breaks down in supervised diffusion training. We introduce the Eisbach log-barrier, a parameter-free weight derived from the entropy of the DiT output's spatial energy distribution: high entropy damps the gradient, while low entropy preserves it. Applied to LoRA fine-tuning of Stable Audio 3 Medium on MusicCaps, it unexpectedly yields stronger thematic development, clearer acoustic differentiation, and higher textural diversity than unweighted training, the opposite of mode collapse. This works because in supervised diffusion the gradient direction is locked to ground truth, so confidence only scales the step size, and because temporal entropy downweights flat samples while preserving high-contrast ones. The result is an online, self-referential data curriculum that emerges purely from the forward pass, with analyzed noise-level dynamics and testable predictions.
Authors: Christian Bianchi, Siamak Yousefi, Alessio Sampieri, Andrea Roberti, Luca Rigazio, Fabio Galasso, Luca Franco
Abstract: Vision-Language-Action (VLA) models are emerging as a promising paradigm for robotic manipulation, enabling general-purpose policies trained from large corpora of demonstrations and action labels. However, adapting these models to new tasks still typically requires task-specific demonstrations, action annotations, and additional fine-tuning, making deployment costly and difficult to scale. We propose WIZARD, a weight-space meta-learning framework that sidesteps task-specific fine-tuning by generating task-specific LoRA parameters for a frozen VLA policy. Given only a language instruction and a short demonstration video, WIZARD predicts the corresponding adaptation weights in a single forward pass, without target-task action labels or test-time optimization. During meta-training, WIZARD learns to map task evidence directly to expert LoRA updates, capturing relationships between tasks in weight space. Experiments on LIBERO show that WIZARD improves performance by up to ~2x on unseen dataset collections and up to ~14x on unseen tasks. On a Franka Emika Panda, WIZARD consistently improves over a real-domain adapted baseline, showing that generated adapters provide task-level specialization beyond simulation.
Authors: Eduardo Borges, Lu\'is Garrote, Urbano J. Nunes
Abstract: LiDAR-based 3D Multi-Object Tracking (MOT) typically relies solely on geometric information, which is often insufficient to distinguish between targets during prolonged occlusions or in crowded human-populated environments. While integrating RGB-based Re-Identification (ReID) offers a theoretical solution for preserving identity context, existing approaches often rely on computationally expensive parallel detectors that hinder real-time robot responsiveness. This work presents a systematic study of image-based ReID in online 3D MOT, utilizing a lightweight projection-based framework to decouple geometric and appearance modeling for mobile robots. A comprehensive analysis of feature extraction architectures is conducted, employing lightweight CNNs and Vision Transformers, and evaluating various multi-modal data association strategies to balance computational latency with robust tracking. Experiments on the Pedestrian class of the KITTI dataset reveal that naive linear fusion, of appearance and motion costs, degrades performance due to visual noise. Conversely, a cascaded matching strategy successfully recovers occluded tracks without compromising overall precision, effectively preventing identity switches to maintain human-robot interaction continuity. We show that lightweight architectures can offer an optimal trade-off between the low latency required for safe navigation and the discriminative power needed for social awareness.
Authors: Ambuj Mehrish, Sebastiano Vascon
Abstract: Long, multimodal documents force retrieval-augmented systems to assemble answers from evidence fragmented across text, tables, and slides broken across cells in a long table, spread over multiple slides, or split between a figure and its discussion. Top-$k$ chunk retrieval treats each fragment independently and cannot represent how evidence connects. We introduce FLOWREADER, which reframes evidence assembly as a min-cost flow problem on a multimodal node graph: a single scoring vector $h$ controls source selection (via MMR), sink selection (via a length-aware answerability proxy), and the costs and capacities of every edge. The optimal flow is decomposed into candidate evidence paths, a compact non-redundant subset is selected by entropy-regularized replicator dynamics, and parallel VLM workers under a dual-process gate produce the answer with a single System-2 refinement pass triggered when answer consistency is low or the routed flow is strained. On VisDoMBench, FLOWREADER is best on the two subsets dominated by fragmented evidence PaperTab ($58.40$, $+1.30$ over G^{2}-Reader) and SlideVQA ($72.93$, $+0.62$) and competitive on SPIQA, FetaTab, and SciGraphQA. Macro-averaged across all five subsets, FLOWREADER ($65.47$) is within $0.74$ of the strongest baseline (G^{2}-Reader, $66.21$). Overall, these results show that min-cost flow performs well on fragmented multimodal evidence, where top-$k$ retrieval fails. It also provides a unified way to control scoring, routing, selection, and adaptive compute together.
Authors: Mahdi Alkaeed
Abstract: Large Language Models (LLMs) are increasingly used in healthcare for tasks such as clinical question answering, diagnosis support, and report summarization. Despite their promise, these models remain highly sensitive to subtle prompt perturbations, both lexical and syntactic, posing serious risks in safety-critical clinical applications. In this study, we conduct a systematic sensitivity analysis to evaluate the robustness of both general-purpose (e.g., GPT-3.5, Llama3) and medical-specific LLMs (e.g., ClinicalBERT, BioLlama3, BioBERT) using the MedMCQA benchmark. We categorize perturbations into natural and adversarial types and examine their effect on model consistency, accuracy, and reliability in clinical reasoning tasks. Our findings reveal that medical LLMs are not intrinsically safe. Even minor variations in phrasing can alter clinical advice, and targeted adversarial prompts can provoke harmful outputs. In high-stakes settings like healthcare, such unpredictability is unacceptable-models that change diagnoses due to reworded inputs or hallucinate medications when slightly rephrased cannot be reliably trusted by clinicians. While models tend to show resilience to simple lexical substitutions or paraphrasing, they often break down under syntactic reordering or misleading contextual cues. This fragility is evident across both general-purpose and domain-specific LLMs. Notably, adversarial manipulations can lead to clinically dangerous outputs, such as recommending incorrect dosages or omitting critical findings.
Authors: Jakob Schroeder, Andreas D\"opp
Abstract: Phase retrieval - recovering a complex-valued field from intensity measurements - is typically solved using variants of the Gerchberg-Saxton (GS) algorithm, understood as alternating projections between measurement planes. Meanwhile, modern computational imaging increasingly relies on gradient-based optimization and automatic differentiation. Here we show that these two approaches are mathematically identical: the GS magnitude replacement step is exactly a unit gradient descent step on an amplitude least-squares loss. This equivalence enables seamless integration of classical phase retrieval with differentiable physics pipelines. We further identify two complementary probabilistic interpretations of this equivalence: globally, the amplitude loss is the negative log-likelihood under Gaussian amplitude noise; locally, each projection step arises as a Bayesian update with the propagated field as prior. The local view provides qualitative guidance for relaxation in iterative phase retrieval.
Authors: Lanxin Yi, Jinbao Zhu, Kai Wan, Xiaohu Tang
Abstract: Secure aggregation allows a server to aggregate users' local updates while preserving update privacy. Existing information-theoretic problems typically assume that correlated random keys are provided by a trusted third party (TTP) or generated via prescribed groupwise structures, while the communication cost for establishing such correlated keys is often ignored. Consequently, the fundamental limits under general key-distribution mechanisms remain unknown. In this paper, we study the $T$-colluding information-theoretic secure aggregation problem with $N$ users under a general two-phase framework consisting of a key distribution phase and an update aggregation phase. Unlike prior work, we model key distribution through user-to-user communication and allow arbitrary user-generated key-distribution mechanisms, eliminating TTP or prescribed structures. This enables a joint characterization of three resources: randomness for security, key-distribution communication, and aggregation communication. We completely characterize the capacity region among these three resources by constructing a novel secure aggregation scheme together with a matching information-theoretic converse. In particular, we develop an explicit deterministic capacity-achieving construction over any finite field of size at least $N$, whereas most existing schemes either rely on TTP or employ randomized or existential constructions over sufficiently large finite fields. We further show that the optimal performance can be achieved using only pairwise shared keys, enabling implementation via Diffie--Hellman key exchange. Compared with Google's seminal secure aggregation scheme, the proposed scheme requires fewer random masking keys while preserving the same aggregation communication overhead.
Authors: Constantin Alexander Auga
Abstract: Speech Emotion Conversion (SEC) aims to transform the emotion of a source utterance into a target emotion while preserving content and speaker identity. SEC on in-the-wild data is challenging due to the non-parallel nature of training data and complex real-world acoustics. Existing fixed-duration approaches either struggle to shift the emotion effectively (high quality, low conversion) or degrade speech naturalness (low quality, high conversion). We propose TargetSEC, an embedding-driven latent diffusion framework that generates emotion-focused style embeddings conditioned on speaker identity and continuous emotion. Unlike methods that diffuse over spectrograms, TargetSEC operates in a compact latent space. Experiments on the MSP-Podcast dataset show that TargetSEC outperforms current non-duration baselines in conversion accuracy while maintaining high speech quality, and achieves performance comparable to duration-prediction systems without explicit temporal modeling.
Authors: Jinju Lee
Abstract: Harmony is a compact symbolic layer where mathematical pitch relations, acoustic consonance, and musical convention meet. This report treats chord-symbol sequences not as a complete representation of music, but as an interpretable, controllable time series for genre-local harmonic modeling. Starting from a frozen pop-jazz Music Transformer checkpoint, I evaluate how far small adaptation interfaces can extend the model to eleven target genres: blues, bossa nova, Bach chorales, country, electronic, folk, funk, gospel, hip-hop, R&B/soul, and rock. The main evaluation compares LoRA, IA3, BitFit, prefix tuning, and full fine-tuning over 11 genres and 3 seeds, a complete 165-cell grid. All five methods improve over the frozen base on held-out chord prediction, with macro gains from +2.89 to +3.61 points; LoRA and IA3 score highest, but Wilcoxon tests with Holm and Benjamini-Hochberg correction do not support a decisive winner. A matched-data-size control sharpens this: when genres are sub-sampled to a common corpus size, IA3 stays on top but LoRA's full-data edge disappears and it falls to last, indicating the small gaps are partly data-driven. A control-token baseline is also strong, and wrong-genre adapters often beat the frozen base, suggesting much of the effect comes from lightweight conditioning over a reusable harmonic base rather than one particular adapter family. Additional diagnostics (rank sweeps, wrong-genre rotation, a base-checkpoint ablation, chord-only genre classification, generated-output statistics, real-song evaluation, and duplicate analysis) support a bounded conclusion: chord-symbol adaptation reliably improves genre-local harmonic prediction, but chord symbols alone do not carry complete genre identity. The report therefore avoids claims about perceived genre authenticity or full musical quality, which require controlled listener or musician evaluation.
Authors: Anurag Ghosh, Francesco Pittaluga, Khiem Vuong, Angela Chen, Juan Alvarez-Padilla, Manmohan Chandraker, Srinivasa Narasimhan
Abstract: Self-driving simulations typically rely on data collected in a small number of cities or on hand-authored synthetic scenarios. Dashcam videos cover a far broader range of locations and situations, including rare or long-tailed scenarios. They are considered less usable for simulation because it is difficult to recover accurate 4D scenes from monocular in-the-wild videos. Work zones are one such class of long-tailed situations that dashcams capture. We present Dash2Sim, a framework that turns in-the-wild monocular dashcam videos into metric, geo-referenced 4D driving logs compatible with existing simulators, and verifies eachone against an independently maintained map without annotations. We apply Dash2Sim to a large video corpus to create the ROADWork4D benchmark dataset, which spans 4,244 scenes with 2.7M 3D objects across 17 cities. On a verified subset ROADWork4D-CL (2,201 scenes), we study privileged closed-loop planners and find that work zone scenarios are difficult: while rule-based and hybrid planners generalize better than learning-based ones, all fall short, failing to make the lane changes that temporary work zone channels require. Beyond planning, dense depth recovered by Dash2Sim improves novel-view synthesis quality by up to 19% on perceptual metrics, suggesting its potential to provide rich conditioning for closed-loop sensor simulation from monocular videos.
Authors: Huixi Intelligence, :, Chen Zhang, Chenyang Zhou, Guanglei Ding, Guanghui He, Haibin Gao, Jiajia Chen, Jianyong Zhang, Lianyi Yu, Ningyi Xu, Ping Xu, Qingchen Li, Yingjun Hu, Yijia Zhang, Yuxi Liu
Abstract: Vision-Language-Action (VLA) models have shown strong potential for robotic manipulation, but real-time deployment on edge hardware remains challenging. In this work, we identify VLM visual and context tokens as a major source of deployment latency: for GEMM-dominated projection operators, computation grows linearly with the number of input tokens when model dimensions are fixed. Motivated by this observation, we propose RhinoVLA, a deployment-oriented VLA model co-designed with the Huixi R1 edge SoC. RhinoVLA adopts a token-efficient Qwen3-VL backbone and a continuous Action Expert, reducing the VLM-side token and computation burden while preserving pretrained multimodal capability. To support cross-robot learning, RhinoVLA further introduces a unified interface that combines View Registry, 72D physical state-action slot space, and robotinstance LoRA, allowing heterogeneous robot observations and action schemas to be aligned under a shared policy. On the deployment side, RhinoVLA is optimized through hardware-aware compilation, mixed-precision execution, and parallel visual encoding. Experiments show that RhinoVLA achieves downstream performance comparable to {\pi}0.5 at a similar parameter scale, while reaching 11.69 Hz end-to-end inference on Huixi R1, meeting the 10 Hz real-time closedloop control target. The project will be open-sourced at https://github.com/HuixiAI/RhinoVLA.
Authors: S. V. Manivelan, Andrei Velichko, I. Manimehan
Abstract: Detecting transient chaos from scalar observations without governing equations represents a fundamental challenge in nonlinear dynamics. We propose a geometry-guided machine learning framework that unifies predictive trajectory divergence with macroscopic attractor morphology to track abrupt regime shifts. The methodology extracts a local instability scale via out-of-sample k-nearest neighbor forecast errors to establish the ML-FTLE estimator, subsequently mapping this temporal divergence onto a structural closeness matrix derived from a minimal dictionary of Poincare occupancy grids. By employing partial least squares regression, we extract a latent geometric component calibrated directly to the empirical finite-time Lyapunov spectrum, yielding the Poincare-based geometric-guided FTLE. Validation against analytical QR-FTLE baselines confirms that fusing topological state spaces with predictive divergence systematically improves continuous transition tracking. The Structural Similarity Index optimally resolves gradual damping, while Hausdorff Distance exhibits extreme resilience during abrupt phase-space collapses. Furthermore, macroscopic spatial discretization acts as a robust topological regularizer against additive Gaussian noise, preserving deterministic signatures even at moderate signal thresholds. This equation-free framework provides a highly accurate, noise-resilient diagnostic for monitoring structural transitions in complex non-stationary systems.
Authors: Alexandre Belloni, Yan Chen, Yehua Wei
Abstract: Motivated by Large Language Model (LLM) cascading, we propose an online contextual Pandora's Box model for adaptively querying and selecting LLM APIs. In each period, a decision-maker observes a request context and faces a two-phase decision problem. In the query phase, the decision-maker sequentially queries APIs, where each query reveals a generated output and the decision-maker incurs an (output-dependent) cost. In the selection phase, the decision-maker selects one of the generated outputs to deploy and observes only the downstream reward of the deployed output. This output-mediated feedback structure differs from classical online contextual Pandora's Box models, in which opening a box directly reveals its reward. Rather than estimating the full conditional output and cost distributions of each API, we directly model the reservation index and develop a learning approach for the query phase. Specifically, we impose a parametric structure on the contextual reservation index functions induced by the classical Weitzman's policy. Our policy combines generalized method of moments (GMM) type estimation of these reservation indices with UCB-style confidence bounds for both these indices and the shared output-level reward evaluator. Under regularity conditions, we prove that the resulting policy achieves dimension-dependent $\widetilde O(\sqrt T)$ cumulative regret over a horizon of $T$ periods.
Authors: Raphael C Kim, Jingsen Zhu, Ramin Zabih, Michele Santacatterina
Abstract: Generative models for counterfactual outcomes have great potential to support decision-making under complex interventions, but existing approaches are limited by unstable estimation, poor generalization across environments, and bias from nuisance model misspecification. We introduce ADIGen, a framework for automatic, debiased, and invariant counterfactual generation under general interventions, including high-dimensional interventions and outcomes. ADIGen combines Riesz regression to avoid unstable density-ratio estimation, causal invariance to improve generalization under distribution shift, and orthogonal statistical learning to obtain doubly robust guarantees against nuisance model misspecification. We provide excess-risk bounds showing that ADIGen controls counterfactual risk under general interventions, with a product-bias nuisance remainder and an invariant risk bound across environments.
Authors: Changkun Guan, El Mehdi Er Raqabi, Mathieu Tanneau, Pascal Van Hentenryck
Abstract: Benders decomposition is a fundamental framework for solving large-scale mixed-integer optimization problems with complicating variables that, when fixed, yield significantly easier subproblems. However, classical Benders decomposition repeatedly solves highly similar subproblems and often exhibits zigzagging behavior across iterations, leading to slow convergence in large-scale settings. Motivated by the repetitive structure and parametric nature of Benders subproblems, this paper introduces the proxy Benders decomposition (Proxy-BD), a new decomposition framework in which subproblem optimization is replaced by certified optimization proxies rather than repeated exact solves. The proposed proxy follows a self-supervised predict-project-and-complete mechanism that produces dual-feasible solutions for generating provably valid Benders cuts. The framework preserves the theoretical validity of the decomposition independently of prediction quality through a projection-and-completion certification layer. A formal characterization of proxy-induced cuts is established, and the framework naturally extends to modern decomposition schemes, including branch-and-Benders-cut algorithms. Computational experiments on large-scale facility location and network design problems demonstrate that Proxy-BD substantially reduces the computational effort of subproblems while maintaining near-optimal solution quality. On large-scale uncapacitated facility location instances up to 2000x2000, Proxy-BD achieves median optimality gaps below 0.5%, yields up to 161x median speedups, and reduces the number of generated cuts by more than 240x on the largest instances. The computational gains consistently increase with recourse complexity, indicating that proxy-based inference scales substantially more favorably than repeated exact subproblem optimization in large-scale decomposition settings.
Authors: Sweta Mahajan, Sukrut Rao, Jiahao Xie, Alexander Koller, Bernt Schiele
Abstract: Vision-language models such as CLIP are highly useful for diverse tasks due to their shared image-text embedding space. Despite this, the image and text embeddings are often poorly aligned, affecting downstream performance. Recent work has shown that this can be attributed to an information imbalance: images contain more information than their captions describe. In this work, we propose TEVI, a framework that uses captions as a signal for what to retain from image embeddings. Specifically, we use sparse autoencoders to disentangle image embeddings and train a masking module to selectively reconstruct the embedding based on a given caption. In a controlled setup with synthetic captions, we show that TEVI is effective at preserving caption-described attributes while discarding others. By applying TEVI to CLIP models trained on natural images, we further achieve improved retrieval performance across coarse-grained short-caption (MS COCO, Flickr) and fine-grained long-caption (IIW, DOCCI) benchmarks, with stronger gains on richer captions, and improved robustness on the RoCOCO benchmark.
Authors: Julian With\"oft, Werner John, Emre Ecik, Ralf Br\"uning, J\"urgen G\"otze
Abstract: Pre-layout design space exploration (DSE) for high-speed signal integrity (SI) analysis is often limited by the computational cost of simulations and iterative optimization algorithms within modern electronic design automation (EDA) workflows. While machine learning surrogate models accelerate the simulation step, optimizing designs still requires utilizing iterative black-box search methods. This iterative nature scales poorly, making multi-corner sweeps computationally expensive. As a solution, this paper proposes amortized neural optimization (ANO) for pre-layout SI design. ANO entirely eliminates iterative black-box inference by utilizing fully differentiable neural network surrogate models. ANO extracts analytical gradients from the surrogate to train a global optimization policy. Instead of solving the optimization problem repeatedly at inference, the optimization process is learned offline and therefore amortized. Once the ANO policy is trained, it maps different channel contexts directly to near-optimal design parameters in a single deterministic forward pass. The efficiency and accuracy of the ANO framework are demonstrated based on three complex SI design scenarios, including DDR5 decision feedback equalization (DFE), 9-dimensional SerDes Tx/Rx co-equalization, and DDR3 DQS differential pair routing to optimize eye diagram metrics under intra-pair skew constraints. By trading roughly 10% in optimality compared to instance-specific black-box algorithms, it realizes speedups of three to four orders of magnitude. For a large-scale 320,000-instance multi-corner SerDes sweep optimization, ANO collapses what would have taken days of computation using iterative search algorithms into a single batched forward pass that completes in milliseconds. This transforms computationally expensive SI optimization into real-time and interactive pre-layout DSE.
Authors: Jamie J. Alnasir
Abstract: High-performance computing (HPC) clusters remain the backbone of large-scale scientific computation, traditionally executing deterministic, linear pipelines optimised for predictable performance. However, the pervasive integration of artificial intelligence (AI) and foundation models into scientific research has introduced a fundamentally new computational paradigm. AI-driven workflows are characteristically iterative, data-driven, and probabilistic, introducing unique challenges regarding data gravity, heterogeneous resource management, and complex workflow orchestration. This guide provides twelve practical tips designed to help researchers design efficient, scalable, and reproducible AI-driven HPC workflows. By addressing critical system-level bottlenecks - such as containerisation for environment portability, strategic deployment of job arrays, explicit feedback loop mechanics, and I/O optimisation for small files - this article offers a framework for transitioning from rigid execution pipelines to adaptive, intelligent computational environments. While these architectural principles are broadly applicable across distributed environments, they are particularly tailored to the resource-intensive throughput demands of modern computational biology.
Authors: Ekaterina Grishina, Stepan Kuznetsov, Askar Tsyganov, Ilya Ivanov, Daria Korovaitceva, Margarita Rusanova, Uliana Parkina, Alexander Derevyagin, Evgeny Frolov, Sergey Samsonov, Anton Lysenko
Abstract: The ranking of recommendation algorithms is a challenging problem since model performance is sensitive to dataset characteristics such as sparsity, sequential structure, and scale. This drives a demand for a proper methodology for fair comparison between algorithms. Naive aggregation of performance metrics (e.g., averaging NDCG over benchmarks) can yield misleading rankings, undermining practical selection. To address this problem, we introduce a novel, data-driven ranking methodology based on Bradley-Terry (BT) model. We demonstrate that the obtained ranking depends on key dataset statistics. Additionally, we propose a novel metric for evaluating ranking consistency and demonstrate robustness of our ranking to incomplete data. Finally, we introduce a dataset-specific methodology for ranking algorithms on unseen datasets without running the models, relying on extensions of the Bradley-Terry framework, including BT trees and BT models with covariates.
Authors: Pascal Mattia Esser, Frank Nielsen
Abstract: A common way to analyze learning of statistical models is to consider operations in the models parameter space, however this becomes challenging when there is no one-to-one mapping between the parameter space and the underlying statistical model space. Such ``singular models'' occur frequently and exhibit a characteristic decrease in convergence speed of learning trajectories due to attractor behaviors. In this work, we consider a relative reparameterization technique of the parameter space, which yields a general method for extracting regular sub-models from singular models. On the example of Gaussian Mixture Models and Neural Networks we theoretically and numerically analyze the convergence rate for Gradient Descent under both parameterizations. Analyzing second-order methods and explicit properties of the Fisher Information Matrix we distinguish between differences in convergence behavior arising from algorithmic and intrinsic information-geometric aspects.
Authors: Ka Chun Lam, Bridget W Mahony, Armin Raznahan, Francisco Pereira
Abstract: Psychiatry research seeks to understand the manifestations of psychopathology in behavior, as measured in questionnaire data, by identifying a small number of latent factors that explain them. While factor analysis is the traditional tool for this purpose, the resulting factors may not be interpretable, and may also be subject to confounding variables. Moreover, missing data are common, and explicit imputation is often required. To overcome these limitations, we introduce interpretability constrained questionnaire factorization (ICQF), a non-negative matrix factorization method with regularization tailored for questionnaire data. Our method aims to promote factor interpretability and solution stability. We provide an optimization procedure with theoretical convergence guarantees, and an automated procedure to detect latent dimensionality accurately. We validate these procedures using realistic synthetic data. We demonstrate the effectiveness of our method in a widely used general-purpose questionnaire, in two independent datasets (the Healthy Brain Network and Adolescent Brain Cognitive Development studies). Specifically, we show that ICQF improves interpretability, as defined by domain experts, while preserving diagnostic information across a range of disorders, and outperforms competing methods for smaller dataset sizes. This suggests that the regularization in our method matches domain characteristics. The python implementation for ICQF is available at https://github.com/jefferykclam/ICQF.
Authors: Lorenzo Brigato, Stavroula Mougiakakou
Abstract: We introduce Tune without Validation (Twin), a simple and effective pipeline for tuning learning rate and weight decay of homogeneous classifiers without validation sets, eliminating the need to hold out data and avoiding the two-step process. Twin leverages the margin-maximization dynamics of homogeneous networks and an empirical scaling law that links training and test losses across hyper-parameter configurations. This mathematical modeling yields a regime-dependent, validation-free selection rule: in the non-separable regime, training loss is monotonic in test loss and therefore predictive of generalization, whereas in the separable regime, the parameters' norm becomes a reliable indicator of generalization due to margin maximization. Across 37 dataset-architecture configurations for image classification, we demonstrate that Twin achieves a mean absolute error of 1.28% compared to an Oracle baseline that selects HPs using test accuracy. We demonstrate Twin's benefits in scenarios where validation data is scarce, such as small-data regimes, or difficult and costly to collect, as in medical imaging. Code available at https://github.com/lorenzobrigato/twin.
Authors: Naili Xing, Shaofeng Cai, Lingze Zeng, Jiaqi Zhu, Peng Lu, Jian Pei, Beng Chin Ooi
Abstract: Recent advances have shifted the paradigm of tabular learning toward tabular foundation models, yet their accuracy relies on a heavy inference cost that scales poorly with context size. Deep neural networks remain a highly competitive and more efficient modeling paradigm when equipped with well-designed architectures; however, identifying such architectures in a data-adaptive and budget-aware manner remains challenging. We propose pTNAS, the first progressive neural architecture search (NAS) approach tailored for tabular data, which enables fast identification of a viable architecture and continuously improves its search performance as more budget becomes available. pTNAS adopts a filter-and-refine optimization strategy that combines efficient training-free and effective training-based architecture evaluation. In the filtering phase, we introduce pTProxy, a novel zero-cost proxy specifically designed for tabular networks that jointly captures architectural trainability and expressivity, enabling fast filtering of large architecture search spaces. In the refinement phase, pTNAS employs a fixed-budget scheduling algorithm to accurately identify the best-performing architecture from a small set of promising candidates. We further propose a budget-aware coordinator to optimize budget allocation holistically. Experiments show that pTNAS reduces the time to reach the globally best architecture by up to 82.75 X compared with other NAS approaches, achieves the best average predictive rank, and improves end-to-end efficiency by up to 4.78 X compared with TabPFN.
Authors: Philip Sosnin, Mark N. M\"uller, Maximilian Baader, Calvin Tsay, Matthew Wicker
Abstract: Modern machine learning pipelines leverage large amounts of public data, making it infeasible to guarantee data quality and leaving models open to poisoning and backdoor attacks. Provably bounding model behavior under such attacks remains an open problem. In this work, we address this challenge by developing the first framework providing provable guarantees on the behavior of models trained with potentially manipulated data without modifying the model or learning algorithm. In particular, our framework certifies robustness against untargeted and targeted poisoning, as well as backdoor attacks, for bounded and unbounded manipulations of the training inputs and labels. Our method leverages convex relaxations to over-approximate the set of all possible parameter updates for a given poisoning threat model, allowing us to bound the set of all reachable parameters for any gradient-based learning algorithm. Given this set of parameters, we provide bounds on worst-case behavior, including model performance and backdoor success rate. We demonstrate our approach on multiple real-world datasets from applications including energy consumption, medical imaging, and autonomous driving.
Authors: George A. Kevrekidis, Eleni D. Koronaki, Dimitris G. Giovanis, Yannis G. Kevrekidis
Abstract: Many scientific and engineering problems involve observing a common phenomenon through multiple heterogeneous sensors or measurement modalities. Such observations typically contain both information shared across sensors, reflecting the underlying system, and sensor-specific or extraneous components arising from measurement processes or environmental effects. Disentangling these contributions is essential when sensor-independent observations are unavailable. We propose a neural autoencoder framework that explicitly separates shared and sensor-specific latent variables from multi-sensor data. The architecture enforces geometric independence between latent components through structural constraints and orthogonality-based regularization, yielding interpretable and disentangled representations. Building on this representation, we then introduce a latent-space generative methodology in which generative models are tuned/"restricted" on selected disentangled latent subspaces; we then constructively combine disentangled observed latent variables to conditionally synthesize new samples via trained decoders. This enables consistent data generation with prescribed shared (or sensor-specific) characteristics. It also supports cross-sensor inference by consistently sampling distributions over plausible measurements in unobserved modalities. We demonstrate the approach on several computational examples, showing effective disentanglement, targeted data generation, and modality imputation in heterogeneous sensing settings.
Authors: Carlos Heredia
Abstract: In this paper, we propose a continuous-time formulation for the AdaGrad, RMSProp, and Adam optimization algorithms by modeling them as first-order integro-differential equations. We perform numerical simulations of these equations, along with stability and convergence analyses, to demonstrate their validity as accurate approximations of the original algorithms. Our results indicate a strong agreement between the behavior of the continuous-time models and the discrete implementations, thus providing a new perspective on the theoretical understanding of adaptive optimization methods.
Authors: Youssef Allouah, Joshua Kazdan, Rachid Guerraoui, Sanmi Koyejo
Abstract: Machine unlearning, the process of selectively removing data from trained models, is increasingly crucial for addressing privacy concerns and knowledge gaps post-deployment. Despite this importance, existing approaches are often heuristic and lack formal guarantees. In this paper, we analyze the fundamental utility, time, and space complexity trade-offs of approximate unlearning, providing rigorous certification analogous to differential privacy. For in-distribution forget data -- data similar to the retain set -- we show that a surprisingly simple and general procedure, empirical risk minimization with output perturbation, achieves tight unlearning-utility-complexity trade-offs, addressing a previous theoretical gap on the separation from unlearning "for free" via differential privacy, which inherently facilitates the removal of such data. However, such techniques fail with out-of-distribution forget data -- data significantly different from the retain set -- where unlearning time complexity can exceed that of retraining, even for a single sample. To address this, we propose a new robust and noisy gradient descent variant that provably amortizes unlearning time complexity without compromising utility.
Authors: Keegan Harris, Aleksandrs Slivkins
Abstract: We evaluate the ability of the current generation of large language models (LLMs) to help a decision-making agent facing an exploration-exploitation tradeoff. While previous work has largely study the ability of LLMs to solve combined exploration-exploitation tasks, we take a more systematic approach and use LLMs to explore and exploit in silos in various (contextual) bandit tasks. We find that reasoning models show the most promise for solving exploitation tasks, although they are still too expensive or too slow to be used in many practical settings. Motivated by this, we study tool use and in-context summarization using non-reasoning models. We find that these mitigations may be used to substantially improve performance on medium-difficulty tasks, however even then, all LLMs we study perform worse than a simple linear regression, even in non-linear settings. On the other hand, we find that LLMs do help at exploring large action spaces with inherent semantics, by suggesting suitable candidates to explore.
Authors: Songhao Wu, Ang Lv, Xiao Feng, Yufei Zhang, Xun Zhang, Guojun Yin, Wei Lin, Rui Yan
Abstract: The KV cache in large language models is a dominant factor in memory usage, limiting their broader applicability. Quantizing the cache to lower bit widths is an effective way to reduce computational costs; however, previous methods struggle with quantizing key vectors due to outliers, resulting in excessive overhead. We propose a novel quantization approach called PolarQuant, which efficiently addresses the outlier challenge. We observe that outliers typically appear in only one of two dimensions, which are rotated together by a specific angle when rotary position embeddings are applied. When represented as two-dimensional vectors, these dimensions exhibit well-structured patterns, with radii and angles smoothly distributed in polar coordinates. This alleviates the challenge of outliers on per-channel quantization, making them well-suited for quantization. Thus, PolarQuant divides key vectors into groups of two-dimensional sub-vectors, encoding them as the corresponding quantized radius and the polar angle, rather than quantizing original key vectors directly. PolarQuant achieves the superior efficiency in KV cache quantization and accelerates the decoding process by turning the query-key inner product into a table lookup, all while maintaining the downstream performance of full-precision models.
Authors: Dong Tian, Onur Celik, Gerhard Neumann
Abstract: We introduce a sequence-conditioned critic for Soft Actor-Critic (SAC) that models trajectory context with a lightweight Transformer and trains on aggregated $N$-step targets. Unlike prior approaches that (i) score state-action pairs in isolation or (ii) rely on actor-side action chunking to handle long horizons, our method strengthens the critic itself by conditioning on short trajectory segments and integrating multi-step returns -- without importance sampling (IS). The resulting sequence-aware value estimates capture the critical temporal structure for extended-horizon and sparse-reward problems. On local-motion benchmarks, we further show that freezing critic parameters for several steps makes our update compatible with CrossQ's core idea, enabling stable training \emph{without} a target network. Despite its simplicity -- a 2-layer Transformer with 128-256 hidden units and a maximum update-to-data ratio (UTD) of $1$ -- the approach consistently outperforms standard SAC and strong off-policy baselines, with particularly large gains on long-trajectory control. These results highlight the value of sequence modeling and $N$-step bootstrapping on the critic side for long-horizon reinforcement learning.
Authors: Akhil Agnihotri, Rahul Jain, Deepak Ramachandran, Zheng Wen
Abstract: Post-training LLMs with RLHF and preference optimization methods (e.g., DPO, IPO) has greatly improved alignment, yet these approaches assume a single objective. In reality, humans express multiple, often conflicting objectives, such as helpfulness and harmlessness, with no natural scalarization. We study the multi-objective preference alignment problem, where a policy must balance several objectives simultaneously. We propose Multi-Objective Preference Optimization (MOPO), a constrained KL-regularized framework that maximizes a primary objective while enforcing lower bounds on secondary objectives via tunable safety thresholds. MOPO operates directly on pairwise preferences without point-wise rewards, and admits simple closed-form iterative updates. Empirically, MOPO recovers Pareto-optimal policies on synthetic benchmarks and, when fine-tuned on human-preference data, yields multi-billion parameter models that achieve higher rewards and Pareto-dominate baselines, with stable and robust optimization dynamics.
Authors: Yajiang Huang, Jianheng Tang, Kejia Fan, Huiping Zhuang, Anfeng Liu, Tian Wang, Yunhuai Liu, Mianxiong Dong, Houbing Herbert Song
Abstract: In Continual Learning (CL), using a Pre-Trained Model (PTM) as the feature extractor has become a popular practice. Accompanied by analytic classifiers, the PTM-based methods have achieved state-of-the-art performance in CL, in pursuit of the non-forgetting goal. Meanwhile, actively forgetting specific knowledge acquired during the CL phase is also essential in most service construction paradigms, for example, Mobile Crowd Sensing (MCS), where mobile edge nodes continuously collect sensory data and demand not only non-forgetting adaptation but also specific knowledge forgetting for privacy preservation. Thus, a unique problem, called Continual Unlearning (CU), arises when the forgetting requests show sequentially in CL. However, existing unlearning methods focus on single-shot joint forgetting and prove highly inadequate when applied to CU, including (1) violating the historical data privacy in CL and (2) vulnerably being overwhelmed or degraded with adversarially frequent requests. To handle the challenges of CU, we propose a gradient-free approach, called Analytic Continual Unlearning (ACU), for efficient and exact forgetting with historical data privacy preservation in PTM-based CL. In response to each unlearning request, our ACU recursively derives the analytical (i.e., closed-form) solutions via least squares in an interpretable manner. By meticulous design, our ACU is compatible with both sample-level and class-level unlearning requests. The theoretical and experimental evaluations validate our ACU's superiority in unlearning effectiveness, model fidelity, and system efficiency.
Authors: Xudong Wang, Ziheng Sun, Chris Ding, Jicong Fan
Abstract: This work proposes a framework LGKDE that learns kernel density estimation for graphs. The key challenge in graph density estimation lies in effectively capturing both structural patterns and semantic variations while maintaining theoretical guarantees. Combining graph kernels and kernel density estimation (KDE) is a standard approach to graph density estimation, but has unsatisfactory performance due to the handcrafted and fixed features of kernels. Our method LGKDE leverages graph neural networks to represent each graph as a discrete distribution and utilizes maximum mean discrepancy to learn the graph metric for multi-scale KDE, where all parameters are learned by maximizing the density of graphs relative to the density of their well-designed perturbed counterparts. The perturbations are conducted on both node features and graph spectra, which helps better characterize the boundary of normal density regions. Theoretically, we establish consistency and convergence guarantees for LGKDE, including bounds on the mean integrated squared error, robustness, and generalization. We validate LGKDE by demonstrating its effectiveness in recovering the underlying density of synthetic graph distributions and applying it to graph anomaly detection across diverse benchmark datasets. Extensive empirical evaluation shows that LGKDE demonstrates superior performance compared to state-of-the-art baselines on most benchmark datasets.
Authors: Maria Matveev, Vit Fojtik, Hung-Hsu Chou, Gitta Kutyniok, Johannes Maly
Abstract: The remarkable generalization properties of overparameterized networks are often attributed to implicit biases, such as norm minimization at small learning rates and low sharpness in the Edge-of-Stability regime. In this work, we argue that a comprehensive understanding of the generalization performance of gradient descent requires analyzing the interaction between these various forms of implicit regularization. We empirically demonstrate that the learning rate interpolates between low parameter norm and low sharpness of the trained model. We furthermore prove that neither implicit bias alone minimizes the generalization error for diagonal linear networks trained on a simple regression task. These findings demonstrate that focusing on a single implicit bias is insufficient to explain good generalization, and they motivate a broader view of implicit regularization that captures the dynamic trade-off between norm and sharpness induced by non-negligible learning rates.
Authors: Xinyu Yao, Daniel Bourgeois, Abhinav Jain, Yuxin Tang, Jiawen Yao, Zhimin Ding, Arlei Silva, Chris Jermaine
Abstract: We study the problem of assigning operations in a dataflow graph to devices to minimize execution time in a work-conserving system, with emphasis on complex machine learning workloads. Prior learning-based methods often struggle due to three key limitations: (1) reliance on bulk-synchronous systems like TensorFlow, which under-utilize devices due to barrier synchronization; (2) lack of awareness of the scheduling mechanism of underlying systems when designing learning-based methods; and (3) exclusive dependence on reinforcement learning, ignoring the structure of effective heuristics designed by experts. In this paper, we propose Doppler, a three-stage framework for training dual-policy networks consisting of 1) a $\mathsf{SEL}$ policy for selecting operations and 2) a $\mathsf{PLC}$ policy for placing chosen operations on devices. Our experiments show that Doppler outperforms all baseline methods across tasks by reducing system execution time and additionally demonstrates sampling efficiency by reducing per-episode training time.
Authors: Antonio Ferrara, Andrea Pugnana, Francesco Bonchi, Salvatore Ruggieri
Abstract: Ranking systems influence decision-making in high-stakes domains like health, education, and employment, where they can have substantial economic and social impacts. This makes the integration of safety mechanisms essential. One such mechanism is abstention, which enables algorithmic decision-making systems to defer uncertain or low-confidence decisions to human experts. While abstention has been predominantly explored in the context of classification tasks, its application to other machine learning paradigms remains underexplored. In this paper, we introduce a novel method for abstention in pairwise learning-to-rank tasks. Our approach is based on thresholding the ranker's conditional risk: the system abstains from making a decision when the estimated risk exceeds a predefined threshold. Our contributions are threefold: a theoretical characterization of the optimal abstention strategy, a model-agnostic, plug-in algorithm for constructing abstaining ranking models, and a comprehensive empirical evaluation across multiple datasets, demonstrating the effectiveness of our approach.
Authors: Franziska Weindel, Michael Girsch, Reinhard Heckel
Abstract: The general trace reconstruction problem seeks to recover an original sequence from its noisy copies independently corrupted by insertions, deletions, and substitutions. This problem arises in applications such as DNA data storage, a promising storage medium due to its high information density and longevity. However, errors introduced during DNA synthesis, storage, and sequencing require correction through algorithms and codes, with trace reconstruction often used as part of data retrieval. In this work, we propose TReconLM, a decoder-only transformer that solves trace reconstruction as a next-token prediction task. TReconLM outperforms state-of-the-art trace reconstruction algorithms, including prior deep-learning approaches, recovering a substantially higher fraction of sequences without error. We pretrain on synthetic data generated from a simple error model and fine-tune on real-world data to adapt to technology-specific error patterns. Code is available at https://github.com/MLI-lab/TReconLM.
Authors: Sijia Wang, Ricardo Henao
Abstract: Increasing concerns for data privacy and other difficulties associated with retrieving source data for model training have created the need for source-free transfer learning, in which one only has access to pre-trained models instead of data from the original source domains. This setting introduces many challenges, as many existing transfer learning methods typically rely on access to source data, which limits their direct applicability to scenarios where source data is unavailable. Further, practical concerns make it more difficult, for instance efficiently selecting models for transfer without information on source data, and transferring without full access to the source models. So motivated, we propose a model recycling framework for parameter-efficient training of models that identifies subsets of related source models to reuse in both white-box and black-box settings. Consequently, our framework makes it possible for Model as a Service (MaaS) providers to build libraries of efficient pre-trained models, thus creating an opportunity for multi-source data-free supervised transfer learning.
Authors: Timur Mudarisov, Mikhail Burtsev, Tatiana Petrova, Radu State
Abstract: This paper investigates the limitations of the normalization in attention mechanisms. We begin with a theoretical framework that enables the identification of the model's selective ability and the geometric separation involved in token selection. Our analysis includes explicit bounds on distances and separation criteria for token vectors under softmax scaling. Through experiments with pre-trained GPT-2 model, we empirically validate our theoretical results and analyze key behaviors of the attention mechanism. Notably, we demonstrate that as the number of selected tokens increases, the model's ability to distinguish informative tokens declines, often converging toward a uniform selection pattern. We also show that gradient sensitivity under softmax normalization presents challenges during training, especially at low temperature settings. These findings advance current understanding of softmax-based attention mechanism and motivate the need for more robust normalization and selection strategies in future attention architectures.
Authors: Praveen Bushipaka, Lucia Passaro, Tommaso Cucinotta
Abstract: A conventional LLM Unlearning setting consists of two subsets -"forget" and "retain", with the objectives of removing the undesired knowledge from the forget set while preserving the remaining knowledge from the retain. In privacy-focused unlearning research, a retain set is often further divided into neighbor sets, containing either directly or indirectly connected to the forget targets; and augmented by a general-knowledge set. A common practice in existing benchmarks is to employ only a single neighbor set, with general knowledge which fails to reflect the real-world data complexities and relationships. LLM Unlearning typically involves 1:1 sampling or cyclic iteration sampling. However, the efficacy and stability of these de facto standards have not been critically examined. In this study, we systematically evaluate these common practices. Our findings reveal that relying on a single neighbor set is suboptimal and that a standard sampling approach can obscure performance trade-offs. Based on this analysis, we propose and validate an initial set of best practices: (1) Incorporation of diverse neighbor sets to balance forget efficacy and model utility, (2) Standard 1:1 sampling methods are inefficient and yield poor results, (3) Our proposed Modular Entity-Level Unlearning (MELU) strategy as an alternative to cyclic sampling. We demonstrate that this modular approach, combined with robust algorithms, provides a clear and stable path towards effective unlearning.
Authors: Haofeng Huang, Yifei Han, Long Zhang, Bin Li, Yangfan He, Yaxin Xue
Abstract: Multimodal intent recognition (MMIR) suffers from weak semantic grounding and poor robustness under noisy or rare-class conditions. We propose MVCL-DAF++, which extends MVCL-DAF with two key modules: (1) Prototype-aware contrastive alignment, aligning instances to class-level prototypes to enhance semantic consistency; and (2) Coarse-to-fine attention fusion, integrating global modality summaries with token-level features for hierarchical cross-modal interaction. On MIntRec and MIntRec2.0, MVCL-DAF++ achieves new state-of-the-art results, improving rare-class recognition by +1.05\% and +4.18\% WF1, respectively. These results demonstrate the effectiveness of prototype-guided learning and coarse-to-fine fusion for robust multimodal understanding. The source code is available at https://github.com/chr1s623/MVCL-DAF-PlusPlus.
Authors: Jaemin Oh
Abstract: Four-dimensional variational data assimilation (4DVAR) is a cornerstone of numerical weather prediction, yet it remains computationally intensive and sensitive to initialization due to the non-convexity of its objective function. We propose a neural field-based reformulation of 4DVAR in which the spatiotemporal state is represented as a continuous function parameterized by a neural network. We demonstrate that optimizing in parameter space leverages the spectral bias of neural fields, acting as an implicit regularizer that stabilizes state estimation and suppresses spurious high-frequency oscillations without requiring explicit background error covariance information. Furthermore, by parameterizing the full spatiotemporal trajectory, our framework enables parallel-in-time optimization and incorporates physical constraints directly through physics-informed losses. Evaluations on chaotic benchmarks, including 2D Kolmogorov flow and 3D Taylor-Green vortices, show that neural reparameterization produces more accurate initial conditions than classical 4DVAR. When combined with separable neural architectures (SPINNs), the method achieves substantial speedups. Unlike many machine learning approaches, this framework requires no ground-truth training data, offering a robust and scalable alternative for operational data assimilation.
Authors: Yongchao Li, Jun Chen, Zhuoxuan Li, Chao Gao, Yang Li, Chu Zhang, Changyin Dong
Abstract: Interchanges are crucial nodes for vehicle transfers between highways, yet the lack of real-time ramp detectors creates blind spots in traffic prediction. To address this, we propose a Spatio-Temporal Decoupled Autoencoder (STDAE), a two-stage framework that leverages cross-modal reconstruction pretraining. In the first stage, STDAE reconstructs historical ramp flows from mainline data, forcing the model to capture intrinsic spatio-temporal relations. Its decoupled architecture with parallel spatial and temporal autoencoders efficiently extracts heterogeneous features. In the prediction stage, the learned representations are integrated with models such as GWNet to enhance accuracy. Experiments on three real-world interchange datasets show that STDAE-GWNET consistently outperforms thirteen state-of-the-art baselines and achieves performance comparable to models using historical ramp data. This demonstrates its effectiveness in overcoming detector scarcity and its plug-and-play potential for diverse forecasting pipelines.
Authors: Junchao Fan, Qi Wei, Ruichen Zhang, Yang Lu, Jianhua Wang, Xiaolin Chang, Bo Ai
Abstract: Deep reinforcement learning (DRL) has demonstrated remarkable success in developing autonomous driving policies. However, its vulnerability to adversarial attacks remains a critical barrier to real-world deployment. Although existing robust methods have achieved success, they still suffer from three key issues: (i) these methods are trained against myopic adversarial attacks, limiting their abilities to respond to more strategic threats, (ii) they have trouble causing truly safety-critical events (e.g., collisions), but instead often result in minor consequences, and (iii) these methods can introduce learning instability and policy drift during training due to the lack of robust constraints. To address these issues, we propose Intelligent General-sum Constrained Adversarial Reinforcement Learning (IGCARL), a novel robust autonomous driving approach that consists of a strategic targeted adversary and a robust driving agent. The strategic targeted adversary is designed to leverage the temporal decision-making capabilities of DRL to execute strategically coordinated multi-step attacks. In addition, it explicitly focuses on inducing safety-critical events by adopting a general-sum objective. The robust driving agent learns by interacting with the adversary to develop a robust autonomous driving policy against adversarial attacks. To ensure stable learning in adversarial environments and to mitigate policy drift caused by attacks, the agent is optimized under a constrained formulation. Extensive experiments show that IGCARL improves the success rate by at least 27.9% over state-of-the-art methods, demonstrating superior robustness to adversarial attacks and enhancing the safety and reliability of DRL-based autonomous driving.
Authors: Fanmeng Wang, Ruochao Wang, Shan Mei, Wentao Guo, Hongshuai Wang, Qi Ou, Zhifeng Gao, Hongteng Xu
Abstract: Linear polymers, macromolecules formed from monomers covalently bonded into continuous chains, underpin countless technologies and are indispensable to modern life. While deep learning is advancing polymer science, existing methods typically represent the whole linear polymer solely through monomer-level descriptors, overlooking the global structural information inherent in polymer conformations, which ultimately limits their practical performance. Moreover, this important field still lacks a dedicated foundation model that can effectively support diverse downstream tasks, thereby severely constraining progress. To address these challenges, we introduce PolyConFM, a foundation model tailored for modeling and designing linear polymers through conformation-centric generative pretraining. Recognizing that each linear polymer is essentially a continuous chain whose conformation can be naturally decomposed into a sequence of local conformations (i.e., those of its repeating units), we pretrain PolyConFM under the conditional generation paradigm, reconstructing these local conformations via masked autoregressive (MAR) modeling and further generating their orientation transformations to recover the corresponding polymer conformation. Meanwhile, we construct a linear polymer conformation dataset via molecular dynamics simulations to mitigate data sparsity, thereby enabling conformation-centric pretraining. Experiments demonstrate that PolyConFM consistently outperforms representative task-specific methods across diverse downstream tasks, thereby equipping polymer science with a powerful tool targeting linear polymers.
Authors: Qingyue Zhang, Chang Chu, Tianren Peng, Qi Li, Xiangyang Luo, Zhihao Jiang, Shao-Lun Huang
Abstract: LoRA has become a widely adopted method for PEFT, and its initialization methods have attracted increasing attention. However, existing methods have notable limitations: many methods do not incorporate target-domain data, while gradient-based methods exploit data only at a shallow level by relying on one-step gradient decomposition. In this paper, we establish a theoretical framework for data-aware LoRA initialization. Starting from minimizing the expectation of the parameter discrepancy between the fine-tuned and target models, we derive an optimization problem with two components: a bias term, which is related to the parameter distance between the fine-tuned and target models, and is approximated using a Fisher-gradient formulation to preserve anisotropy; and a variance term, which accounts for the uncertainty introduced by sampling stochasticity through the Fisher information. Solving this problem yields an optimal initialization strategy for LoRA, based on which we develop an efficient algorithm, LoRA-DA. Empirical results across multiple benchmarks demonstrate that LoRA-DA consistently improves final accuracy over existing initialization methods. Additional studies show faster, more stable convergence, robustness across ranks, and only a small initialization overhead for LoRA-DA. The source code is available at https://github.com/zqy0126/LoRA-DA.
Authors: Jamie Lanyon, Axel Finke, Petros Andreou, Georgina Cosma
Abstract: Machine unlearning aims to remove the influence of certain data points from a trained model without costly retraining. Most practical unlearning algorithms are only approximate and their performance can only be assessed empirically. Common practice is to run unlearning algorithms multiple times independently (i.e., using multiple unlearning seeds) starting from the same trained model (i.e., using only a single training seed ). In image-classification experiments, this practice can give non-representative results as unlearning performance can be sensitive to the choice of training seed. This is particularly relevant for deterministic unlearning methods which always produce the same result when started from the same trained model. Further experiments on federated learning-to-rank, and large language models confirm that this issue extends beyond image classification. We also explain why increasing the number of unlearning seeds cannot generally compensate for the lack of multiple training seeds. Finally, we give guidance on how to select the number of training and unlearning seeds.
Authors: German Gritsai, Megan Richards, Maxime M\'eloux, Kyunghyun Cho, Maxime Peyrard
Abstract: We propose a fully data-driven approach to designing mutual information (MI) estimators. Since any MI estimator is a function of the observed sample from two random variables, we parameterize this function with a neural network (MIST) and train it end-to-end to predict MI values. Training is performed on a large meta-dataset of 625,000 synthetic joint distributions with known ground-truth MI. To handle variable sample sizes and dimensions, we employ a two-dimensional attention scheme ensuring permutation invariance across input samples. To quantify uncertainty, we optimize a quantile regression loss, enabling the estimator to approximate the sampling distribution of MI rather than return a single point estimate. This research program departs from prior work by taking a fully empirical route, trading universal theoretical guarantees for flexibility and efficiency. Empirically, the learned estimators largely outperform classical baselines across sample sizes and dimensions, including on joint distributions unseen during training. The resulting quantile-based intervals are well-calibrated and more reliable than bootstrap-based confidence intervals, while inference is orders of magnitude faster than existing neural baselines. Beyond immediate empirical gains, this framework yields trainable, fully differentiable estimators that can be embedded into larger learning pipelines. Moreover, exploiting MI's invariance to invertible transformations, meta-datasets can be adapted to arbitrary data modalities via normalizing flows, enabling flexible training for diverse target meta-distributions.
Authors: Ariel Fargion, Lahav Dabah, Tom Tirer
Abstract: Conformal Prediction (CP) has emerged as a powerful statistical framework for high-stakes classification applications. Instead of predicting a single class, CP generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of different CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., diseases that require similar treatment, users can benefit from prediction sets that are not only small on average, but also contain a small number of semantically different groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with out-of-group errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of any CP score function. Our analysis reveals the class-similarity factors behind this improvement and motivates a variant that can further reduce prediction set size by leveraging the model's embeddings, without requiring any human semantic partition. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.
Authors: Johannes Forkel, Constantin Ruhdorfer, Michael Beukman, Andreas Bulling, Jakob Foerster
Abstract: We prove that in any Dec-POMDP, sufficiently high entropy regularization ensures that the policy gradient flow with tabular softmax parametrization always converges, for any initialization, to the same joint policy, and that this joint policy is equivariant w.r.t. all symmetries of the Dec-POMDP. In particular, policies coming from different initializations will be fully compatible, in that their cross-play returns are equal to their self-play returns. Through extensive evaluation of independent PPO, arguably the standard baseline deep multi-agent policy gradient algorithm, in the Hanabi, Overcooked and Yokai environments, we find that the entropy coefficient has a massive influence on the cross-play returns between independently trained policies, and that the decrease in self-play returns coming from increased entropy regularization can often be counteracted by greedifying the learned policies after training. In Hanabi in particular we achieve a new SOTA in inter-seed cross-play this way. While we give examples of Dec-POMDPs in which one cannot learn the optimal symmetry-equivariant policy this way, both our theoretical and empirical results suggest that one should consider far higher entropy coefficients during hyperparameter sweeps in Dec-POMDPs than is typically done. Code for our experiments can be found at https://github.com/jforkel/JAX-OBL
Authors: Yanlin Wang, Nancy M Young, Patrick C M Wong
Abstract: Neural prediction offers a promising approach to forecasting the individual variability of neurocognitive functions and disorders and providing prognostic indicators for personalized invention. However, it is challenging to translate neural predictive models into medical artificial intelligent applications due to the limitations of domain shift and label scarcity. Here, we propose the directed evolution model (DEM), a novel computational model that mimics the trial-and-error processes of biological directed evolution to approximate optimal solutions for predictive modeling tasks. We demonstrated that the directed evolution algorithm is an effective strategy for uncertainty exploration, enhancing generalization in reinforcement learning. Furthermore, by incorporating replay buffer and continual backpropagate methods into DEM, we provide evidence of achieving better trade-off between exploitation and exploration in continuous learning settings. We conducted experiments on four different datasets for children with cochlear implants whose spoken language developmental outcomes vary considerably on the individual-child level. Preoperative neural MRI data has shown to accurately predict the post-operative outcome of these children within but not across datasets. Our results show that DEM can efficiently improve the performance of cross-domain pre-implantation neural predictions while addressing the challenge of label scarcity in target domain.
Authors: Na Li, Hangguan Shan, Wei Ni, Wenjie Zhang, Xinyu Li
Abstract: Actor-critic (AC) methods are a cornerstone of reinforcement learning (RL) but offer limited interpretability. Current explainable RL methods seldom use state attributions to assist training. Rather, they treat all state features equally, thereby neglecting the heterogeneous impacts of individual state dimensions on the reward. We propose RKHS-SHAP-based Advanced Actor-Critic (RSA2C), an attribution-aware, kernelized, two-timescale AC algorithm, including Actor, Value Critic, and Advantage Critic. The Actor is instantiated in a vector-valued reproducing kernel Hilbert space (RKHS) with a Mahalanobis-weighted operator-valued kernel, while the Value Critic and Advantage Critic reside in scalar RKHSs. These RKHS-enhanced components use sparsified dictionaries: the Value Critic maintains its own dictionary, while the Actor and Advantage Critic share one. State attributions, computed from the Value Critic via RKHS-SHAP (kernel mean embedding for on-manifold and conditional mean embedding for off-manifold expectations), are converted into Mahalanobis-gated weights that modulate Actor gradients and Advantage Critic targets. We derive a global, non-asymptotic convergence bound under state perturbations, showing stability through the perturbation-error term and efficiency through the convergence-error term. Empirical results on three continuous-control environments show that RSA2C achieves efficiency, stability, and interpretability. Our code is available at https://github.com/Na-Li66/RSA2C.
Authors: Oscar Eliasson
Abstract: The Kolmogorov-Arnold representation theorem offers a theoretical alternative to Multi-Layer Perceptrons (MLPs) by placing learnable univariate functions on edges rather than nodes. While recent implementations such as Kolmogorov-Arnold Networks (KANs) demonstrate high approximation capabilities, they suffer from significant parameter inefficiency due to the requirement of maintaining unique parameterizations for every network edge. In this work, we propose GS-KAN (Generalized Sprecher-KAN), a lightweight architecture inspired by David Sprecher's refinement of the superposition theorem. GS-KAN constructs unique edge functions by applying learnable linear transformations to a single learnable, shared parent function per layer. We evaluate GS-KAN against existing KAN architectures and MLPs across synthetic function approximation, tabular data regression and image classification tasks. Our results demonstrate that GS-KAN outperforms both MLPs and standard KAN baselines on continuous function approximation tasks while maintaining superior parameter efficiency. Additionally, GS-KAN achieves competitive performance with existing KAN architectures on tabular regression and outperforms MLPs on high-dimensional classification tasks. Crucially, the proposed architecture enables the deployment of KAN-based architectures in high-dimensional regimes under strict parameter constraints, a setting where standard implementations are typically infeasible due to parameter explosion. The source code is available at https://github.com/rambamn48/gs-impl.
Authors: Huayang Li, Tianyu Zhao, Deng Cai, Richard Sproat
Abstract: In-context learning is fundamental to modern Large Language Models (LLMs); however, prevailing architectures impose a rigid and fixed contextual structure by assigning linear or constant positional indices. The rigid position information poses the full burden of organizing the input structure to attention layers, thus reducing the amount of attention that could be allocated for more critical information. To address this, we propose RePo, a novel mechanism that alleviates the burden for attention layers via context re-positioning. Unlike conventional approaches, RePo utilizes a differentiable module, $f_\phi$, to assign token positions that capture contextual dependencies, rather than replying on pre-defined order. By continually pre-training on the OLMo-2 1B \& 7B models, we demonstrate that RePo consistently enhances performance on tasks involving noisy contexts, structured data, and longer context length, while maintaining competitive performance on general short-context tasks. Analysis reveals that RePo successfully allocates more attention mass to distant but relevant information, assigns positions in a dense and non-linear space, and captures the intrinsic structure of the input context. Our code is at https://github.com/SakanaAI/repo.
Authors: Vladimir G. Pestov
Abstract: We establish the last missing link allowing to describe those complete separable metric spaces $X$ in which the $k$ nearest neighbour classifier is universally consistent, both in combinatorial terms of dimension theory and via a fundamental property of real analysis. The following are equivalent: (1) The $k$-nearest neighbour classifier is universally consistent in $X$, (2) The strong Lebesgue--Besicovitch differentiation property holds in $X$ for every locally finite Borel measure, (3) $X$ is sigma-finite dimensional in the sense of Jun-Iti Nagata. The equivalence (2)$\iff$(3) was announced by Preiss (1983), while a detailed proof of the implication (3)$\Rightarrow$(2) has only appeared in Assouad and Quentin de Gromard (2006). The implication (2)$\Rightarrow$(1) was established by C\'erou and Guyader (2006). We prove the implication (1)$\Rightarrow$(3). We further show that the weak (instead of strong) Lebesgue--Besicovitch property is insufficient for the consistency of the $k$-NN rule, as witnessed, for example, by the Heisenberg group (here we correct a wrong claim made in the previous article (Kumari and Pestov 2024)). A bit counter-intuitively, there is a metric on the real line uniformly equivalent to the usual distance but under which the $k$-NN classifier fails. Finally, another equivalent condition that can be added to the above is the Cover--Hart property: (4) the error of the $1$-nearest neighbour classifier is asymptotically at most twice as bad as the Bayes error.
Authors: Zekai Zhang, Xiao Li, Xiang Li, Lianghe Shi, Meng Wu, Molei Tao, Qing Qu
Abstract: Diffusion models excel at generating high-quality, diverse samples, yet they risk memorizing training data when overfit to the training objective. We analyze the distinctions between memorization and generalization in diffusion models through the lens of representation learning. By investigating a two-layer ReLU denoising autoencoder (DAE), we prove that (i) memorization corresponds to the model storing raw training samples in the learned weights for encoding and decoding, yielding localized spiky representations, whereas (ii) generalization arises when the model captures local data statistics, producing balanced representations. Furthermore, we validate these theoretical findings on real-world unconditional and text-to-image diffusion models, demonstrating that the same representation structures emerge in deep generative models with significant practical implications. Building on these insights, we propose a representation-based method for detecting memorization and a training-free editing technique that allows precise control via representation steering. Together, our results highlight that learning good representations is central to novel and meaningful generative modeling.
Authors: Lin Huang, Chengxiang Huang, Ziang Wang, Yiyue Du, Chu Wang, Haocheng Lu, Yunyang Li, Xiaoli Liu, Arthur Jiang, Jia Zhang
Abstract: Equivariant Graph Neural Networks (EGNNs) have become a widely used approach for modeling 3D atomistic systems. However, mainstream architectures face critical scalability bottlenecks due to the explicit construction of geometric features or dense tensor products on \textit{every} edge. To overcome this, we introduce \textbf{E2Former-V2}, a scalable architecture that integrates algebraic sparsity with hardware-aware execution. We first propose \textbf{E}quivariant \textbf{A}xis-\textbf{A}ligned \textbf{S}parsification (EAAS). EAAS builds on Wigner-$6j$ convolution by exploiting an $\mathrm{SO}(3) \rightarrow \mathrm{SO}(2)$ change of basis to transform computationally expensive dense tensor contractions into efficient, sparse parity re-indexing operations. Building on this representation, we introduce \textbf{On-the-Fly Equivariant Attention}, a fully node-centric mechanism implemented via a custom fused Triton kernel. By eliminating materialized edge tensors and maximizing SRAM utilization, our kernel achieves a \textbf{20$\times$ improvement in TFLOPS} compared to standard implementations. Extensive experiments on the SPICE and OMol25 datasets demonstrate that E2Former-V2 maintains comparable predictive performance while notably accelerating inference. This work demonstrates that large equivariant transformers can be trained efficiently using widely accessible GPU platforms. The code is avalible at https://github.com/IQuestLab/UBio-MolFM/tree/e2formerv2.
URLs: https://github.com/IQuestLab/UBio-MolFM/tree/e2formerv2.
Authors: Yibo Li, Zijie Lin, Ailin Deng, Xuan Zhang, Yufei He, Shuo Ji, Tri Cao, Bryan Hooi
Abstract: While Large Language Model (LLM) agents excel at general tasks, they inherently struggle with continual adaptation due to the frozen weights after deployment. Conventional reinforcement learning (RL) offers a solution but incurs prohibitive computational costs and the risk of catastrophic forgetting. We introduce Just-In-Time Reinforcement Learning (JitRL), a training-free framework that enables test-time policy optimization without any gradient updates. JitRL maintains a dynamic, non-parametric memory of experiences and retrieves relevant trajectories to estimate action advantages on-the-fly. These estimates are then used to directly modulate the LLM's output logits. We theoretically prove that this additive update rule is the exact closed-form solution to the KL-constrained policy optimization objective. Extensive experiments on WebArena and Jericho demonstrate that JitRL establishes a new state-of-the-art among training-free methods. Crucially, JitRL outperforms the performance of computationally expensive fine-tuning methods (e.g., WebRL) while reducing monetary costs by over 30 times, offering a scalable path for continual learning agents. The code is available at https://github.com/liushiliushi/JitRL.
Authors: Muhammad Fetrat Qharabagh, Artur Back de Luca, George Giapitzakis, Kimon Fountoulakis
Abstract: Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under bounded-degree and finite-precision constraints. Our approach follows a two-step process. First, we train an ensemble of multi-layer perceptrons (MLPs) to execute the local instructions of a single node. Second, during inference, we use the trained MLP ensemble as the update function within a graph neural network (GNN). Leveraging Neural Tangent Kernel (NTK) theory, we show that local instructions can be learned from a small training set, enabling the complete graph algorithm to be executed during inference without error and with high probability. To illustrate the learning power of our setting, we establish a rigorous learnability result for the LOCAL model of distributed computation. We further demonstrate positive learnability results for widely studied algorithms such as message flooding, breadth-first and depth-first search, and Bellman-Ford.
Authors: Zilin Jing, Vincent Jeanselme, Yuta Kobayashi, Simon A. Lee, Chao Pang, Aparajita Kashyap, Yanwei Li, Xinzhuo Jiang, Shalmali Joshi
Abstract: Clinical events captured in Electronic Health Records (EHR) are irregularly sampled and may consist of a mixture of discrete events and numerical measurements, such as laboratory values or treatment dosages. The sequential nature of EHR, analogous to natural language, has motivated the use of next-token prediction to train prior EHR Foundation Models (FMs) over events. However, this training fails to capture the full structure of EHR. When a given event occurs must be captured, but the event value (abnormal lab) also modulates the likelihood of other clinical events. Most existing EHR FMs do not jointly model this likelihood and are unable to capture the full observation process, impacting downstream capabilities. We propose ORA, a marked time-to-event pretraining objective that jointly models event timing and associated measurements. Across multiple datasets, downstream tasks, and model backbones, this objective consistently yields more generalizable representations than next-token prediction and pretraining losses that ignore continuous measurements. Importantly, the proposed objective yields improvements beyond traditional classification evaluation, including better regression and time-to-event prediction. Beyond introducing a new family of FMs, our ablations suggest a broader takeaway: pretraining objectives that account for EHR structure are critical for expanding downstream capabilities and generalizability.
Authors: Eliron Rahimi, Elad Hirshel, Rom Himelstein, Amit LeVi, Avi Mendelson, Chaim Baskin
Abstract: Diffusion language models (DLMs) have recently emerged as a competitive alternative to autoregressive (AR) models, offering parallel decoding, competitive generation quality, and initial evidence of improved jailbreak robustness. Despite this progress, the role of sampling mechanisms in shaping refusal behavior remains poorly understood. To address this gap, we present a comprehensive study of step-wise refusal dynamics. We show that diffusion remasking can promote recovery from harmful intermediate generations, provide evidence that this behavior is tied to the sampling mechanism, and demonstrate that switching from AR to diffusion sampling improves jailbreak robustness, including under fixed model weights. To capture generation dynamics not observable at the text level, we propose the Step-Wise Refusal Internal Dynamics (SRI) signal. Consistent with our text-level findings, SRI shows that recovery fails primarily under AR sampling, with these failures often appearing anomalous relative to harmless generations in the SRI space. Based on this observation, we show that SRI enables a simple jailbreak detector that does not modify inference and generalizes to unseen attacks by training only on benign SRI signals. Our evaluation shows that this detector matches or outperforms existing jailbreak detection baselines while adding negligible overhead.
Authors: Mathieu Even, Cl\'ement Berenfeld, Linus Bleistein, Tudor Cebere, Julie Josse, Aur\'elien Bellet
Abstract: Membership Inference Attacks (MIAs) aim to distinguish training points (members) from unseen data (non-members), and are widely used to quantify memorization and assess privacy risks. Standard MIA evaluation requires repeated retraining, which is computationally costly for large models. One-run (single training with randomized data inclusion) and zero-run (post hoc evaluation) methods are often used instead, but their statistical validity remains unclear. We address this gap by framing MIA evaluation as a causal inference problem, defining \emph{memorization as the causal effect of including a data point in the training set}. This novel formulation reveals and formalizes key sources of bias in existing protocols: one-run methods suffer from interference between jointly included points, while zero-run evaluations are additionally confounded by distribution shift between member and non-member evaluation data. We derive causal analogues of standard MIA metrics and propose practical estimators for multi-run, one-run, and zero-run regimes with non-asymptotic consistency guarantees. We validate our approach in several settings, including pretrained and fine-tuned LLMs, showing that it enables reliable measurement of MIA performance without retraining and under distribution shift. Overall, our framework provides a principled foundation for privacy evaluation in modern AI systems.
Authors: Laura Plein, Alexi Turcotte, Arina Hallemans, Andreas Zeller
Abstract: There is a need for synthetic training and test datasets that replicate statistical distributions of original datasets without compromising their confidentiality. A lot of research has been done in leveraging Generative Adversarial Networks (GANs) for synthetic data generation, however the resulting models are either not accurate enough or are still vulnerable to membership inference attacks (MIA) or dataset reconstruction attacks since the original data has been leveraged in the training process. In this paper, we frame synthetic data generation as a guided test generation, or search-based testing problem rather than a purely generative modeling task. Ours is a search-based, adequacy-guided input generation technique inspired by GANs, with a generation step and a discrimination step; as in GAN, discrimination uses a discriminator model trained on the date, but instead of using models also for generation, we use a fuzzer. This way, the original (private) data is only indirectly leveraged in the generation process, and by evolving samples and determining "good samples" with the discriminator, we can generate privacy-preserving data that follows the same statistical distributions as the original dataset, leading to a similar utility as the original data. We evaluated our approach on eight datasets that have been used to evaluate the state-of-the-art techniques, finding that synthetic generated with our technique achieves good utility on average while also having good similarity scores, highlighting the potential of a mixed approach leveraging classical generation and model-driven discrimination for generating privacy-preserving, useful synthetic datasets.
Authors: Alex McKenzie, Keenan Pepper, Stijn Servaes, Martin Leitgab, Murat Cubuktepe, Mike Vaiana, Diogo de Lucena, Judd Rosenblatt, Michael S. A. Graziano
Abstract: Large language models can recover mid-generation from task-misaligned activation steering, producing explicit verbal restarts (e.g., ``wait, that's not right'') and continuing on-topic even while the steering perturbation remains active. We term this Endogenous Steering Resistance (ESR). Using sparse autoencoder (SAE) latents to steer model activations, we find that Llama-3.3-70B exhibits explicit ESR at \llamaseventyEsrRate\%, with smaller models from the Llama-3 and Gemma-2 families showing the explicit form less frequently. Two controls dissociate ESR into a detection event and a sustained-resistance component that conditioning on recent on-topic tokens does not fully explain. We identify \numOtdLatents{} SAE latents through contrastive on-topic/off-topic search; zero-ablating them reduces the multi-attempt rate by \multiAttemptReductionPct\%, with random-latent and held-out-prompt controls supporting specificity. ESR can also be deliberately enhanced through both meta-prompting and fine-tuning on synthetic self-correction examples. ESR has dual implications for safety: it could harden models against adversarial activation-space manipulation, but may equally interfere with beneficial steering-based interventions, since the model has no way to distinguish the two. Code is available at \href{https://github.com/agencyenterprise/endogenous-steering-resistance}{github.com/agencyenterprise/endogenous-steering-resistance}.
URLs: https://github.com/agencyenterprise/endogenous-steering-resistance
Authors: Xinting Huang, Aleksandra Bakalova, Satwik Bhattamishra, William Merrill, Michael Hahn
Abstract: Recent work has shown that the computations of Transformers can be simulated in the RASP family of programming languages. These findings have enabled improved understanding of the expressive capacity and generalization abilities of Transformers. In particular, Transformers have been suggested to length-generalize exactly on problems that have simple RASP programs. However, it remains open whether trained models actually implement simple interpretable programs. In this paper, we present a general method to extract such programs from trained Transformers. The idea is to faithfully re-parameterize a Transformer as a RASP program and then apply causal interventions to discover a small sufficient sub-program. In experiments on small Transformers trained on algorithmic and formal language tasks, we show that our method often recovers simple and interpretable RASP programs from length-generalizing transformers. Our results provide the most direct evidence so far that Transformers internally implement simple RASP programs.
Authors: Omin Kwon, Yeonjae Kim, Doyeon Kim, Minseo Kim, Yeonhong Park, Jae W. Lee
Abstract: Block diffusion LLMs are an emerging paradigm for parallel language generation, but their KV caching makes memory access the dominant bottleneck in long-context inference. Sparse attention, which attends only to a small KV subset per query, can reduce this latency with minimal accuracy loss. In block diffusion, however, the B tokens of each block must share a single KV subset, and we show this per-block constraint degrades existing sparse KV estimators by up to 25% in recall. We address this challenge by exploiting a property that emerges from the block-diffusion training objective: it aligns the block-average query across denoising steps, so the All-[MASK] block at the first step already reveals the per-block KV subset for the entire trajectory. We exploit this in MAGE ([MASK]-Guided Sparse Attention), a training-free method that runs one exact attention pass at the first step and reuses its top-k index sets for all remaining steps within the block. Across three block-diffusion families on LongBench, MAGE matches Exact Attention at k=512 with near-lossless accuracy, achieves up to 6.82x end-to-end speedup at 128K context, and runs up to 3.35x and 2.28x faster than Quest and SparseD, designed for AR LLMs and fully bidirectional diffusion LLMs, respectively.
Authors: Daniel Durstewitz, Christoph J\"urgen Hemmer, Florian Hess, Charlotte Ricarda Doll, Lukas Eisenmann
Abstract: Time series (TS) modeling has come a long way from early statistical, mainly linear, approaches to the current trend in TS foundation models. With a lot of hype and industrial demand in this field, it is not always clear how much progress there really is. To advance TS forecasting and analysis to the next level, here we argue that the field needs a dynamical systems (DS) perspective. TS of observations from natural or engineered systems almost always originate from some underlying DS, and arguably access to its governing equations would yield theoretically optimal forecasts. This is the promise of DS reconstruction (DSR), a class of ML/AI approaches that aim to infer surrogate models of the underlying DS from data. But models based on DS principles offer other profound advantages: Beyond short-term forecasts, they enable to predict the long-term statistics of an observed system, which in many practical scenarios may be the more relevant quantities. DS theory furthermore provides domain-independent theoretical insight into mechanisms underlying TS generation, and thereby will inform us, e.g., about upper bounds on performance of any TS model, generalization into unseen regimes as in tipping points, or potential control strategies. After reviewing some of the central concepts, methods, measures, and models in DS theory and DSR, we will discuss how insights from this field can advance TS modeling in crucial ways, enabling better forecasting with much lower computational and memory footprints. We conclude with a number of specific suggestions for translating insights from DSR into TS modeling.
Authors: Yujiao Yang
Abstract: Large language models (LLMs) have demonstrated strong capabilities in complex reasoning tasks, yet their decision-making processes remain difficult to interpret. Existing explanation methods often lack trustworthy structural insight and are limited to single-instance analysis, failing to reveal reasoning stability and systematic failure mechanisms. To address these limitations, we propose the Trustworthy Unified Explanation Framework (TRUE), which integrates executable reasoning verification, feasible-region directed acyclic graph (DAG) modeling, and causal failure mode analysis. At the instance level, we redefine reasoning traces as executable process specifications and introduce blind execution verification to assess operational validity. At the local structural level, we construct feasible-region DAGs via structure-consistent perturbations, enabling explicit characterization of reasoning stability and the executable region in the local input space. At the class level, we introduce a causal failure mode analysis method that identifies recurring structural failure patterns and quantifies their causal influence using Shapley values. Extensive experiments across multiple reasoning benchmarks demonstrate that the proposed framework provides multi-level, verifiable explanations, including executable reasoning structures for individual instances, feasible-region representations for neighboring inputs, and interpretable failure modes with quantified importance at the class level. These results establish a unified and principled paradigm for improving the interpretability and reliability of LLM reasoning systems.
Authors: Yixin Wang, Yifan Hu, Peiyuan Liu, Naiqi Li, Tao Dai, Shu-Tao Xia
Abstract: Time series forecasting remains a challenging problem due to the intricate entanglement of intra-period fluctuations and inter-period trends. While recent advances have attempted to reshape 1D sequences into 2D period-phase representations, they suffer from two principal limitations. Firstly, treating reshaped tensors as static images results in a topological mismatch, as standard spatial operators sever chronological continuity at grid boundaries. Secondly, relying on uniform fixed-size representations allocates modeling capacity inefficiently and fails to provide the adaptive resolution required for compressible, non-stationary temporal patterns. To address these limitations, we introduce TimeGS, a novel framework that fundamentally shifts the forecasting paradigm from regression to 2D generative rendering. By reconceptualizing the future sequence as a latent 2D temporal surface, TimeGS utilizes the inherent anisotropy of Gaussian kernels to adaptively model complex variations with flexible geometric alignment. To realize this, we introduce a Multi-Basis Gaussian Kernel Generation (MB-GKG) block that synthesizes kernels from a fixed dictionary to stabilize optimization, and a Multi-Period Chronologically Continuous Rasterization (MP-CCR) block that enforces strict temporal continuity across periodic boundaries. Comprehensive experiments on standard benchmark datasets demonstrate that TimeGS attains state-of-the-art or competitive performance. The code is at https://github.com/yixinwang1/TimeGS.
Authors: Eliott Van Dieren, Tommaso Vanzan, Fabio Nobile
Abstract: We introduce LAGO, a LocAl-Global Optimization framework coupling Bayesian Optimization (BO) and gradient-based trust region local refinement through an adaptive competition mechanism for smooth expensive-to-evaluate objective functions with available gradients. At each iteration, global and local optimization strategies independently propose candidate points, and the next evaluation is selected based on predicted improvement. LAGO separates global exploration from local refinement at the proposal level: the BO acquisition function is optimized outside the active trust region, while local candidates are proposed within the trust region. Points in the vicinity of the accepted local step are incorporated in the global GP dataset only when satisfying a lengthscale-based minimum-distance criterion, hence reducing the risk of numerical instability during local exploitation. LAGO enhances BO with efficient local refinement when reaching promising regions, and reverts to exploratory behavior when local steps are not competitive.
Authors: Marcell T. Kurbucz
Abstract: Minimising a spectral risk objective, defined as a weighted combination of expected cost and Conditional Value-at-Risk (CVaR), is challenging when the uncertainty distribution is decision-dependent, making both surrogate modelling and simulation-based ranking sensitive to tail estimation error. We propose Adaptive Conditional Forest Sampling (ACFS), a four-phase simulation-optimisation framework that integrates Generalised Random Forests for decision-conditional distribution approximation, CEM-guided global exploration, rank-weighted focused augmentation, and surrogate-to-oracle two-stage reranking before multi-start gradient-based refinement. We evaluate ACFS on two structurally distinct data-generating processes: a Gaussian copula with decision-dependent Student-t marginals and a Gaussian copula with log-normal marginals, across three penalty-weight configurations and 100 replications per setting, under a common cap on the number of true-distribution oracle draws available to each method. ACFS achieves the lowest median oracle spectral risk on the second benchmark in every configuration, with median gaps over GP-BO ranging from 8.6% to 21.8%. On the first benchmark, ACFS and GP-BO are statistically indistinguishable in median objective, but ACFS reduces cross-replication dispersion relative to GP-BO by approximately 1.9 to 2.5 times at the higher penalty weights, with near-parity at the lowest, and by 1.7 to 2.3 times throughout on the second benchmark, indicating materially improved run-to-run reliability. ACFS also outperforms CEM-SO, SGD-CVaR, and KDE-SO in nearly all settings, while ablation and sensitivity analyses support the robustness of the design and indicate that component contributions are most pronounced on the skewed log-normal benchmark.
Authors: Yiqi Zhou, Yue Yuan, Yikai Wang, Bohao Liu, Qinxin Mei, Zhuohua Liu, Shan Shen, Wei Xing, Daying Sun, Li Li, Guozhu Liu
Abstract: Digital Compute-in-Memory (DCiM) accelerates neural networks by reducing data movement. Approximate DCiM can further improve power-performance-area (PPA), but demands accuracy-constrained co-optimization across coupled architecture and transistor-level choices. Building on OpenYield, we introduce Accuracy-Constrained Co-Optimization (ACCO) and present OpenACMv2, an open framework that operationalizes ACCO via two-level optimization: (1) accuracy-constrained architecture search of compressor combinations and SRAM macro parameters, driven by a fast GNN-based surrogate for PPA and error; and (2) variation- and PVT-aware transistor sizing for standard cells and SRAM bitcells using Monte Carlo. By decoupling ACCO into architecture-level exploration and circuit-level sizing, OpenACMv2 integrates classic single- and multi-objective optimizers to deliver strong PPA-accuracy tradeoffs and robust convergence. The workflow is compatible with FreePDK45 and OpenROAD, supporting reproducible evaluation and easy adoption. Experiments show that the proposed two-level ACCO framework achieves most of its accuracy-constrained efficiency gain at Level-1 through architecture exploration, delivering roughly 50%+ PDP reduction, while Level-2 transistor-level optimization provides a further single-digit PDP improvement while preserving accuracy, enabling rapid "what-if" exploration for approximate DCiM. The framework is available on GitHub (https://github.com/ShenShan123/OpenACM).
Authors: Wei W. Xing, Kaiqi Huang, Jiazhan Liu, Hong Qiu, Shan Shen
Abstract: Yield Multi-Corner Analysis validates circuits across 25+ Process-Voltage-Temperature corners, resulting in a combinatorial simulation cost of $O(K \times N)$ where $K$ denotes corners and $N$ exceeds $10^4$ samples per corner. Existing methods face a fundamental trade-off: simple models achieve automation but fail on nonlinear circuits, while advanced AI models capture complex behaviors but require hours of hyperparameter tuning per design iteration, forming the Tuning Barrier. We break this barrier by replacing engineered priors (i.e., model specifications) with learned priors from a foundation model pre-trained on millions of regression tasks. This model performs in-context learning, instantly adapting to each circuit without tuning or retraining. Its attention mechanism automatically transfers knowledge across corners by identifying shared circuit physics between operating conditions. Combined with an automated feature selector (1152D to 48D), our method matches state-of-the-art accuracy (mean MREs as low as 0.11%) with zero tuning, reducing total validation cost by over $10\times$.
Authors: Eshed Gal, Samy Wu Fung, Eldad Haber
Abstract: We introduce Probabilistic Gaussian Homotopy (PGH), a probability-space continuation framework for nonconvex optimization. Unlike classical Gaussian homotopy, which smooths the objective and uniformly averages gradients, PGH deforms the associated Boltzmann distribution and induces Boltzmann-weighted aggregation of perturbed gradients, which exponentially biases descent directions toward low-energy regions. We show that PGH corresponds to a log-sum-exp (soft-min) homotopy that smooths a nonconvex objective at scale $\lambda>0$ and recovers the original objective as $\lambda\to 0$, yielding a posterior-mean generalization of the Moreau envelope, and we derive a dynamical system governing minimizer evolution along an annealed homotopy path. This establishes a principled connection between Gaussian continuation, Bayesian denoising, and diffusion-style smoothing. We further propose Probabilistic Gaussian Homotopy Optimization (PGHO), a practical stochastic algorithm based on Monte Carlo gradient estimation, and demonstrate strong performance on high-dimensional nonconvex benchmarks and sparse recovery problems where classical gradient methods and objective-space smoothing frequently fail.
Authors: Adam Belahcen, St\'ephane Mussard
Abstract: We introduce Aumann-SHAP, an interaction-aware framework that decomposes counterfactual transitions by restricting the model to a local hypercube connecting baseline and counterfactual features. Each hypercube is discretized into a grid to construct an induced micro-player cooperative game in which elementary grid-step moves become players. Shapley and LES values on this TU-micro-game yield geometry-aware within-pot attributions that converge to the diagonal Aumann--Shapley / Integrated Gradients limit under grid refinement, and recover equal-split Shapley as the degenerate $m=1$ special case. An exact grid-state closed form gives polynomial-time computation for fixed interaction order. On a synthetic benchmark with known ground truth, equal-split Shapley carries an irreducible bias while Aumann-SHAP converges to the correct decomposition. On German Credit, interaction geometry changes feature priority rankings in $12.3\%$ of instances. On UCI Heart Disease, equal-split misattributes a cholesterol suppressor as a positive contributor, which is a sign error Aumann-SHAP corrects. On MNIST, game-theoretic attribution reaches target confidence with $3.5\times$ fewer edits than magnitude-based ordering, with micro-game Shapley achieving the best efficiency across all budgets.
Authors: Sasha Brenner, Thomas R. Kn\"osche, Nico Scherf
Abstract: Next-token predictors often appear to develop internal representations of the latent world and its rules. The probabilistic nature of these models suggests a deep connection between the structure of the world and the geometry of probability distributions. In order to understand this link more precisely, we use a minimal stochastic process as a controlled setting: constrained random walks on a two-dimensional lattice that must reach a fixed endpoint after a predetermined number of steps. Optimal prediction of this process solely depends on a sufficient vector determined by the walker's position relative to the target and the remaining time horizon; in other words, the probability distributions are parametrized by the world's grid geometry. We train decoder-only transformers and recurrent networks on prefixes sampled from the exact distribution of these walks and compare their hidden activations to sufficient statistics of prediction, by measuring alignment and linear readability across layers. We find that the transformer's computation factors into two stages: the first attention block extracts the sufficient statistic from the input, and later layers transform it into the next-step predictive geometry. Across constraint variants the post-attention representation is universal: a shared world-state of the lattice that can be read directly as a world model, traced to the predictive geometry of the data. Later layers then specialize it to each variant's next-step distribution. Recurrent networks reach the same Bayes-optimal loss but do not isolate this world-state as a separate stage, showing that the world-model geometry also depends on architecture. Although demonstrated in a toy system, the results suggest that the geometry of the predictive distribution is a useful lens on how neural networks internalize the structure of their data.
Authors: John Ayotunde, Qinghua Xu, Guancheng Wang, Lionel C. Briand
Abstract: Safety monitoring is essential for Cyber-Physical Systems (CPSs). However, unsafe events are rare in real-world CPS operations, creating an extreme class imbalance that degrades safety predictors. Standard rebalancing techniques perform poorly on time-series CPS telemetry, either generating unrealistic synthetic samples or overfitting on the minority class. Meanwhile, behavioral uncertainty in CPS operations, defined as the degree of doubt or uncertainty in CPS decisions , is often correlated with safety outcomes but unexplored in safety monitoring. To that end, we propose U-Balance, a supervised approach that leverages behavioral uncertainty to rebalance imbalanced datasets prior to training a safety predictor. U-Balance first trains a GatedMLP-based uncertainty predictor that summarizes each telemetry window into distributional kinematic features and outputs an uncertainty score. It then applies an uncertainty-guided label rebalancing (uLNR) mechanism that probabilistically relabels $\textit{safe}$-labeled windows with unusually high uncertainty as $\textit{unsafe}$, thereby enriching the minority class with informative boundary samples without synthesizing new data. Finally, a safety predictor is trained on the rebalanced dataset for safety monitoring. We evaluate U-Balance on a large-scale UAV benchmark with a 46:1 safe-to-unsafe ratio. Results confirm a moderate but significant correlation between behavioral uncertainty and safety. We then identify uLNR as the most effective strategy to exploit uncertainty information, compared to direct early and late fusion. U-Balance achieves a 0.806 F1 score, outperforming the strongest baseline by 14.3 percentage points, while maintaining competitive inference efficiency. Ablation studies confirm that both the GatedMLP-based uncertainty predictor and the uLNR mechanism contribute significantly to U-Balance's effectiveness.
Authors: Guoxi Zhang, Jiawei Chen, Tianzhuo Yang, Lang Qin, Juntao Dai, Yaodong Yang, Jingwei Yi
Abstract: As Large Language Models (LLMs) expand in capability and application scope, their trustworthiness becomes critical. A vital risk is intrinsic deception, wherein models strategically mislead users to achieve their own objectives. Existing alignment approaches based on chain-of-thought (CoT) monitoring supervise explicit reasoning traces. However, under optimization pressure, models are incentivized to conceal deceptive reasoning, rendering semantic supervision fundamentally unreliable. Grounded in cognitive psychology, we hypothesize that a deceptive LLM maintains a stable internal belief in its CoT while its external response remains fragile under perturbation. We term this phenomenon stability asymmetry and quantify it by measuring the contrast between internal CoT stability and external response stability under perturbation. Building on this structural signature, we propose the Stability Asymmetry Regularization (SAR), a novel alignment objective that penalizes this distributional asymmetry during reinforcement learning. Unlike CoT monitoring, SAR targets the statistical structure of model outputs, rendering it robust to semantic concealment. Extensive experiments confirm that stability asymmetry reliably identifies deceptive behavior, and that SAR effectively suppresses intrinsic deception without degrading general model capability.
Authors: Zeyu Xia, Tyler Kim, Trevor Reed, Judy Fox, Geoffrey Fox, Adam Szczepaniak
Abstract: High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset ($\gamma p \to \rho^0 p \to \pi^+\pi^- p$), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.
Authors: Renzo G. Soatto, Anders Hoel, Greycen Ren, Shorna Alam, Stephen Bates, Nikolaos P. Daskalakis, Caroline Uhler, Maria Skoularidou
Abstract: Diffusion models have excelled at generative tasks for both continuous and token-based domains, but their application to discrete ordinal data remains underdeveloped. We present CountsDiff, a diffusion framework designed to model distributions on the natural numbers. CountsDiff extends the Blackout diffusion framework by simplifying its formulation through a direct parameterization in terms of a survival probability schedule and an explicit loss weighting. This introduces flexibility through design parameters with direct analogues in existing diffusion modeling frameworks. Beyond this reparameterization, CountsDiff introduces features from modern diffusion models, previously absent in counts-based domains, including continuous-time training, classifier-free guidance, and churn/remasking reverse dynamics that allow non-monotone reverse trajectories. We propose an initial instantiation of CountsDiff and validate it on natural image datasets (CIFAR-10, CelebA), exploring the effects of the introduced design parameters in a complex, well-studied, and interpretable data domain. We then highlight biological count assays as a natural use case, evaluating CountsDiff on single-cell RNA-seq imputation in fetal and heart cell atlases. Remarkably, we find that even this simple instantiation matches or surpasses the performance of a state-of-the-art discrete generative model and leading scRNA-seq imputation methods, while leaving substantial headroom for further gains through optimized design choices in future work.
Authors: Yue Fang, Weibin Liao, Yuxin Guo, Jiaran Gao, Hongxin Ding, Jinyang Zhang, Xinke Jiang, Zhibang Yang, Junfeng Zhao, Yasha Wang, Liantao Ma
Abstract: Clinical reasoning over electronic health records (EHRs) is a fundamental yet challenging task in modern healthcare. While large language models (LLMs) offer a promising paradigm via in-context demonstrations that requires no task-specific parameter updates, existing methods for reasoning by patient analogy in EHR settings suffer from three core limitations: (1) Perspective Limitation, where data-driven similarity misaligns with LLM reasoning needs while model-driven signals are constrained by limited clinical competence; (2) Cohort Awareness, as demonstrations are selected independently without modeling population-level structure; and (3) Information Aggregation, where redundancy and interaction effects among demonstrations are ignored. We propose GraphWalker, a training-free framework that lets frozen LLMs reason by analogy over retrieved patient cases. GraphWalker (i) jointly leverages data-driven and model-driven perspectives, (ii) discovers patient cohorts to ground retrieval in population-level structure, and (iii) employs a lazy greedy search with frontier expansion to compose demonstrations with high marginal information gain. Extensive experiments on multiple real-world EHR benchmarks show that GraphWalker consistently outperforms state-of-the-art demonstration selection baselines, and remains substantially more robust under cross-dataset distribution shift, without task-specific parameter updates. GraphWalker further generalizes to black-box LLMs and composes naturally with agentic reasoning frameworks, positioning it as a pluggable patient-analogy skill in LLM-based clinical workflows. Our code is available at https://github.com/PuppyKnightUniversity/GraphWalker.
Authors: Jiaming Cheng, Duong Tung Nguyen
Abstract: Serving large language model (LLM) inference in cloud environments requires jointly optimizing model selection, GPU provisioning, parallelism configuration, and workload routing under latency, accuracy, memory, and budget constraints. While mixed-integer linear programming (MILP) can model this problem, its computational cost limits frequent re-optimization under demand variability. Existing heuristics often optimize individual components separately and may become infeasible when system-wide constraints are enforced. This paper presents a scalable framework for SLO-constrained LLM inference. We formulate the problem as an MILP with a two-phase delay model capturing both prefill and autoregressive decoding under tensor and pipeline parallelism. To solve it efficiently, we develop two constraint-aware heuristics: a Greedy Heuristic (GH) and an Adaptive Greedy Heuristic (AGH). AGH extends GH through multi-start construction, local search, and GPU consolidation. Both methods maintain feasibility through parallelism-aware filtering, cost-based ranking, and adaptive parallelism scaling. Experiments based on the Azure LLM Inference Trace show that GH generates feasible solutions within one second, while AGH achieves near-optimal performance within three seconds and scales to large instances where exact solvers fail to converge. Under out-of-sample stress with up to 1.5x delay and accuracy inflation, AGH degrades gracefully through provisioned headroom, yielding substantially lower cost and SLO violations than cost-minimal MILP solutions. Across synthetic and real Azure workloads, AGH maintains SLO compliance at significantly lower cost than exact MILP solutions. These results demonstrate that high-quality allocations provide substantial robustness to demand variability while enabling rapid adaptation to workload changes.
Authors: Zunhai Su, Hengyuan Zhang, Wei Wu, Yifan Zhang, Yaxiu Liu, He Xiao, Qingyao Yang, Yuxuan Sun, Rui Yang, Chao Zhang, Jing Xiong, Hui Shen, Keyu Fan, Weihao Ye, Chaofan Tao, Taiqiang Wu, Zhongwei Wan, Tiantian Zhang, Bowen Yan, Zhen Li, Yiming Zhang, Congkai Xie, Yulei Qian, Yuchen Xie, Yik-Chung Wu, Hongxia Yang, Ngai Wong
Abstract: As the foundational architecture of modern machine learning, Transformers have driven remarkable progress across diverse AI domains. Despite their transformative impact, a persistent challenge across various Transformers is Attention Sink (AS), in which a disproportionate amount of attention is focused on a small subset of specific yet uninformative tokens. AS complicates interpretability, significantly affecting the training and inference dynamics, and exacerbates issues such as hallucinations. In recent years, substantial research has been dedicated to understanding and harnessing AS. However, a comprehensive survey that systematically consolidates AS-related research and offers guidance for future advancements remains lacking. To address this gap, we present the first survey on AS, structured around three key dimensions that define the current research landscape: Fundamental Utilization, Mechanistic Interpretation, and Strategic Mitigation. Our work makes a pivotal contribution by highlighting the key concepts and main trends in the field, guiding researchers through the evolution of AS-related studies. We envision this survey as a valuable resource, empowering researchers to effectively manage AS within the current Transformer paradigm, while simultaneously inspiring innovative advancements for the next generation of Transformers. The paper list of this work is available at https://github.com/ZunhaiSu/Awesome-Attention-Sink.
Authors: Lena Zellinger, Antonio Vergari
Abstract: When approximating an intractable density via variational inference (VI) the variational family is typically chosen as a simple parametric family that very likely does not contain the target. This raises the question: Under which conditions can we recover characteristics of the target despite misspecification? In this work, we extend previous theoretical results on robust VI with location-scale families under target symmetries in two substantial ways: (1) We open them up to a wider range of divergences by providing sufficient conditions for exact recovery of the target mean and correlation matrix when using the forward Kullback-Leibler divergence and $\alpha$-divergences. (2) By doing so, we find that we can drop the restrictive assumption of a log-concave target made in previous work, allowing us to give guarantees for a wider range of targets, including multi-modal ones. In our experiments, we show how our guarantees can serve as guidelines for the choice of the variational family and $\alpha$-value and we illustrate on a diverse set of examples how and why optimization can fail in the absence of our sufficient conditions.
Authors: Alessia Berarducci, Eric Rossetto, Alessandro Antonucci, Marco Zaffalon
Abstract: AutoML, intended as the process of automating the application of machine learning to real-world problems, is a key step for AI popularisation. Most AutoML frameworks are not accounting for the potential lack of fairness in the training data and in the corresponding predictions. We introduce \textsc{FairMind}, a software prototype aiming to automatise fairness analysis at the dataset level. We achieve that by resorting to the assumptions of the \emph{standard fairness model}, recently proposed by Ple\v{c}ko and Bareinboim. This allows for a sound fairness evaluation in terms of causal effects, based on \emph{counterfactual} queries involving the target, possibly confounders and mediators, and the different values of an input feature we regard as \emph{protected}. After the necessary data preprocessing, the tool implements a closed-form computation of the effects. LLMs are consequently exploited to generate accurate reports on the fairness levels detected in the training dataset. We achieve that in a zero-shot setup and show by examples the expected advantages with respect to a direct analysis performed by the LLM. To favour applications, extensions to ordinal protected variable and continuous targets and novel decomposition results are also discussed.
Authors: Chenyu Huang, Jianghao Lin, Zhengyang Tang, Bo Jiang, Ruoqing Jiang, Benyou Wang, Lai Wei
Abstract: We study how large language models can be used to generate inventory policies in online settings with non-stationary demand. Our work is motivated by recent advances in LLM-based evolutionary search, such as AlphaEvolve, which demonstrates strong performance on static and highly structured problems such as mathematical discovery, but is not directly suited to dynamic inventory settings with online updates. We propose InvEvolve, an end-to-end inventory policy evolution and inference framework grounded in confidence-interval-based certification. Built on a large language model trained via reinforcement learning, InvEvolve can process demand data together with additional numerical and textual features, and generates white-box inventory policies with statistical safety guarantees for future deployment. We further introduce a unified framework with theoretical guarantees that connects training, inference, and deployment. This allows us to derive a lower bound on the probability that InvEvolve evolves a statistically safe and improved policy, and to characterize the multi-period performance gap relative to the oracle-safe benchmark. Tested on both synthetic data and real-world retail data, InvEvolve outperforms classical inventory policies and deep-learning-based methods. In canonical inventory settings, it generates new policies that outperform existing benchmarks.
Authors: Rachel Freedman
Abstract: Prevailing alignment methods target a fixed set of preferences and therefore risk forcing value lock-in as societal norms evolve over time. We introduce Adaptive Pluralistic Alignment (APA), a modular pipeline for updating pluralistically aligned AI systems to track evolving values and avoid value lock-in without repeating costly pretraining or large-scale data collection. APA has three stages: (1) learning compact personalized reward models via low-rank reward basis decomposition, (2) using these models as a jury that collectively selects among candidate outputs through social-choice-theoretic voting, and (3) efficiently adapting the jury over time by fitting new annotator weights over the fixed reward bases as values shift. The resulting system is efficient, explainable, steerable, and modular. We implement a proof-of-concept instantiation using the PRISM multi-user alignment dataset and simulated historical annotators, and provide preliminary analysis showing that jury composition and the choice of voting rule can substantially affect outcomes, particularly when jury preferences are heterogeneous. We provide full code and resulting preference datasets at https://github.com/RachelFreedman/apa.
Authors: Melika Baghi, Xiao Liu, Kamran Paynabar
Abstract: High-fidelity simulations, such as computational fluid dynamics and finite element analysis, are essential for modeling complex engineering systems but are often prohibitively expensive for tasks including parametric studies, optimization, and real-time control. Projection-based reduced-order models (ROMs) alleviate this cost by projecting the governing dynamics onto low-dimensional subspaces. However, their performance can deteriorate under parameter variation, motivating the need for adaptive basis construction. In this work, we propose a constrained ensemble learning framework, termed Constrained Extreme Gradient Boosting (cXGBoost), for predicting Proper Orthogonal Decomposition (POD) bases as functions of system parameters. The approach leverages a geometric representation of subspaces on the Grassmann manifold, which are mapped to a Euclidean space to enable efficient regression using gradient boosting trees. A norm constraint is imposed during training to ensure the validity of the inverse mapping and preserve the geometric structure of the predicted subspaces. The proposed method is evaluated on four numerical examples, including fluid dynamics and wave propagation problems, demonstrating its ability to accurately predict parameter-dependent bases while maintaining robustness across nonlinear regimes. These results highlight the potential of combining geometric learning with constrained ensemble methods for scalable and reliable reduced-order modeling of high-dimensional parametric systems.
Authors: Tatiana Gaintseva, Andrew Stepanov, Ziquan Liu, Martin Benning, Gregory Slabaugh, Jiankang Deng, Ismail Elezi
Abstract: Steering intermediate representations has emerged as a powerful strategy for controlling generative models, particularly in post-deployment alignment and safety settings. However, despite its empirical success, it currently lacks a comprehensive theoretical framework. In this paper, we bridge this gap by formalizing the theory of concept steering. First, we establish a link between steering and affine concept erasure, proving that the standard approach for removing unwanted behaviors is a special case of LEACE (a closed-form method for affine erasure). Next, we formulate a principled theoretical framework for concept switching, LEACE-Switch, and characterize the assumptions under which it provides an optimal affine solution. Building on this analysis, we then introduce MidSteer (Minimal Disturbance concept Steering), a more general affine framework for concept manipulation that relaxes these assumptions and enables directed, minimal-disturbance transformations. We demonstrate that MidSteer performs favorably across a range of tasks, modalities, and architectures, including vision diffusion models and large language models.
Authors: Bo Li, Chuan Wu, Shaolin Zhu
Abstract: Mixture-of-Experts Multimodal Large Language Models (MoE MLLMs) suffer from a significant efficiency bottleneck during Expert Parallelism (EP) inference due to the straggler effect. This issue is worsened in the multimodal context, as existing token-count-based load balancing methods fail to address two unique challenges: (1) Information Heterogeneity, where numerous redundant visual tokens are treated equally to semantically critical ones, and (2) Modality Dynamics, where varying visual to text ratios across tasks lead to resource misallocation. To address these challenges, we propose MACS (Modality-Aware Capacity Scaling), a training-free inference framework. Specifically, MACS introduces an Entropy-Weighted Load mechanism to quantify the semantic value of visual tokens, addressing information heterogeneity. Additionally, the Dynamic Modality-Adaptive Capacity mechanism allocates expert resources based on the real-time modal composition of the input. Extensive experiments demonstrate that MACS significantly outperforms existing methods on various multimodal benchmarks, providing a novel and robust solution for the efficient deployment of MoE MLLMs in EP inference.
Authors: Beshr IslamBouli, David Jin
Abstract: Post-training weight-only quantization to 4 bits is widely used to reduce the memory and compute costs of large language model inference. Existing PTQ methods, such as AWQ and GPTQ, improve how weights are mapped onto a fixed 4-bit grid through scaling, clipping, or error compensation. To further improve accuracy, methods such as OmniQuant and QuIP\# uses gradient-assisted algorithms at the cost of hours of quantization time. In this work, we propose AAAC (Activation-Aware Adaptive Codebooks), a lightweight method for 4-bit LLM weight quantization. AAAC replaces the fixed scalar codebook used in standard quantization with two small learned scalar codebooks (64 bytes) per layer. Each group of weights selects the codebook that minimizes activation-weighted reconstruction error, encoding the choice in the unused sign bit of the group's positive scale and adding zero storage overhead. AAAC completes in 3--30 minutes on a single GPU, and adds no memory beyond the model itself. We evaluate against AWQ, GPTQ, IF4, GPTVQ, OmniQuant, SqueezeLLM, and QuIP\# across model families. AAAC outperforms baselines at orders-of-magnitude less quantization time.
Authors: Yihan Zhu, Yuhan Liu, Weijiang Li, Tengfei Luo, Meng Jiang
Abstract: Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability. While reinforcement learning (RL) offers a natural post-training mechanism for task-specific optimization, applying it to graph generative models is hindered by the vast atom-wise action spaces and chemically invalid intermediate states. We propose \textbf{Co}ntrollable \textbf{Mole}cular Generative Foundation Models (CoMole), built with a unified motif-aware graph diffusion pipeline. By learning a motif-aware graph space, CoMole transfers pretrained structural priors into controllable generation, where RL optimizes conditional reverse policies over chemically meaningful decisions. We theoretically characterize the bottleneck of atom-level RL and justify motif-aware policy optimization. Across three heterogeneous benchmarks spanning materials and drug discovery, CoMole ranks first in controllability on all nine targets, reduces MAE by up to 48.2% relative to the strongest baselines, and maintains validity above 0.94 without rule-based correction or post-hoc filtering. We further show that CoMole transfers controllability to unseen properties by optimizing only task embeddings with the generator frozen, achieving performance competitive with strong task-specific baselines.
Authors: Peiyuan Li, Yongqi Huang, Jitao Zhao, Dongxiao He, Di Jin, Weixiong Zhang
Abstract: Heterogeneous Graph Prompt Learning (HGPL)has emerged as a promising paradigm for bridging the gap between the objectives of pre-training foundation models and their downstream applications in heterogeneous graph settings. However, existing HGPL methods are primarily designed for in-domain scenarios, whereas real-world deployments often span multiple domains, and the data used for pre-training and downstream tasks may originate from different distributions. Consequently, the applicability of current HGPL approaches is limited to in-domain settings, and their performance typically degrades when application domains shift. To address this serious limitation, we develop CHoE, a cross-domain HGPL method built upon an expert network. During pre-training, we introduce and train structure-conditioned experts, and during prompt tuning, we adopt a structure-aware expert routing and load balancing mechanism to select structurally compatible experts for each meta-path view. In addition, we design a prompt-based semantic fusion module to integrate representations across multiple views for downstream prediction. Extensive experiments show that CHoE consistently improves performance in few-shot cross-domain applications, outperforming all baseline approaches.
Authors: Wenpu Liu, Yuqi Xu, Weichu Xie, Yongfu Zhu, Shuai Dong, Ziyue Wang, Wenqi Shao, Xiaoying Zhang, Tong Yang, Nan Duan, Jiaqi Wang
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) typically samples multiple responses per prompt and assigns binary rewards based on individual correctness, yet the collective structure of the group output, specifically the distribution of errors, is largely discarded. We identify this as a missed opportunity: empirical analysis reveals that error diversity within a group is a strong predictor of training success, with problems eliciting diverse wrong answers benefiting substantially more from RLVR than those producing homogeneous failures. Motivated by this observation, we propose Error Diversity Advantage Shaping (EDAS), a lightweight, algorithm-agnostic technique that modulates the advantage signal for incorrect rollouts based on intra-group error diversity. EDAS amplifies penalties for dominant, repeated errors and attenuates penalties for rare, exploratory ones, thereby encouraging the model to maintain diverse reasoning paths and discouraging error perseveration. Crucially, EDAS operates as a simple post-hoc adjustment that can be seamlessly integrated into any RLVR algorithm. We validate EDAS on top of several mainstream RLVR methods across a series of models and seven challenging math benchmarks, demonstrating consistent improvements. Notably, EDAS yields an average improvement of 6.29 points over DAPO on Qwen3-8B across seven benchmarks, confirming that exploiting the latent information in group rollouts is a broadly effective strategy for strengthening RLVR.
Authors: Barbara Tarantino, Gennaro Auricchio, Paolo Giudici
Abstract: Deep learning models are increasingly used in scientific prediction tasks where strong benchmark performance is often interpreted as evidence of scientifically meaningful behavior. This interpretation is fragile, as models may exploit shortcut features, dataset-specific regularities, or distributional biases that are predictive on held-out data but not aligned with domain-relevant structure. To address this limitation, we introduce the \textsc{I-SAFE} (Interventional Secure, Accurate, Fair and Explainable) framework, a post-hoc distributional auditing framework for scientific AI models centered on the Wasserstein Coherence Metric (WCM). Given a trained black-box predictor and an external structural prior encoding domain knowledge about task-relevant input structure, \textsc{I-SAFE} evaluates raw model outputs under structurally guided perturbations of the input. The proposed audit measures output-distribution coherence through three complementary metrics: a Quantile-Based Metric (QBM) for location-level coherence, the WCM for ordinal coherence, and a translation-invariant WCM variant for shape coherence. We instantiate \textsc{I-SAFE} on drug--target interaction (DTI) prediction using the Davis kinase benchmark, KLIFS (Kinase--Ligand Interaction Fingerprints and Structures) binding-pocket annotations, and three sequence-based DTI models: DeepConvDTI, DeepDTA, and TAPB. Although the models operate in a comparable predictive regime, \textsc{I-SAFE} reveals substantially different distributional response profiles, a distinction invisible to accuracy-based evaluation. The framework is model-agnostic and applicable to any domain where inputs admit a structured decomposition and an external prior is available.
Authors: Ayush K. Varshney, Konstantinos Vandikas, \v{S}ar\=unas Girdzijauskas, Adam Orucu, Aneta Vulgarakis Feljan
Abstract: Deploying deep neural networks on resource-constrained 6G edge devices demands aggressive compression with minimal accuracy loss. Quantization-Aware Training (QAT) has emerged as a leading compression approach; however, existing mixed-precision methods typically operate at coarse layer- or channel-level granularity. These methods often rely on heuristic or search-based bit-allocation strategies, which may overlook fine-grained variability at the neuron level. We propose Neuron-Level Mixed-Precision QAT (NMP-QAT), where each neuron independently learns its own discrete precision during training. Starting from low-bit precision, NMP-QAT expands bit-width only when training signals demand it, via differentiable surrogates and straight-through estimators, while preserving a fully discrete inference graph. This adaptability extends to both weights and activations, reducing memory movement. Evaluated on telecom and non-telecom datasets across MLP and tabular foundation model architectures, NMP-QAT achieves superior compression-accuracy trade-offs over mixed-precision QAT baselines, making it well-suited for Green AI deployments at the network edge.
Authors: Jiaquan Zhang, Caiyan Qin, Haoyu Bian, Libin Cai, Yi Lu, Chaoning Zhang, Wei Dong, Yuanfang Guo, Yang Yang, Heng Tao Shen
Abstract: Neural operators learn mappings from function-dependent inputs to solutions, providing an effective framework for solving partial differential equations (PDEs). For time-dependent PDEs, existing methods typically perform long-horizon prediction through autoregressive rollout directly in high-dimensional physical field spaces, where each predicted state is recursively fed back as the input for the next step. Although effective for short-term prediction, this autoregressive rollout and the lack of continuous-time modeling lead to progressive error accumulation over long-horizon rollouts. In this work, we propose Autoregression-Free Neural Operators (AFNO), which map the time evolution of PDEs into a latent space and model continuous-time vector fields within it. AFNO uses flow matching to learn the latent vector field, thereby enabling continuous evolution over extended horizons, avoiding autoregressive rollout and capturing dynamics under varying parameter configurations through explicit conditioning on physical parameters. Theoretical analysis and extensive experiments on six PDEs demonstrate that AFNO improves long-horizon prediction stability and consistently reduces rollout errors compared with the baselines.
Authors: Zili Zhang, Chengxu Yang, Shenglong Zhang, Chenyu Wang, Yufan Zhang, Tuo Dai, Zhouyang Li, Yuhong Ge, Chao Jin, Xin Jin, Yuliang Liu
Abstract: Training multimodal large language models (MLLMs) is challenged by both model and data heterogeneity. Existing systems redesign the training pipeline to address these challenges, but remain bound by a Pareto frontier between compute and memory efficiency, improving one only at the expense of the other. We present BigMac, a new training pipeline for multimodal LLMs. The core idea of BigMac is to elegantly nest the encoder and generator computation into the original LLM pipeline, forming a dependency-safe nested pipeline structure. With this design, BigMac reduces the activation memory complexity of the encoder and generator to O(1) while keeping the activation memory complexity of the LLM unchanged. At the same time, it achieves the same computational efficiency as the idealized setting with unlimited memory. As a result, BigMac breaks the Pareto frontier between computational efficiency and memory usage, enabling simultaneous optimization of both computation and memory in MLLM training. We evaluate BigMac on multiple MLLMs and training workloads. Experimental results show that BigMac achieves a 1.08$\times$-1.9$\times$ training speedup over baseline systems while maintaining stable memory usage as batch size increases.
Authors: Ivica Nikolic
Abstract: The parameter counts of the most widely used large language models (LLMs) are often withheld by their developers, leaving model size -- a primary reference point for interpreting capabilities and costs -- largely undisclosed. We propose a black-box method to infer conservative lower bounds on LLM size from generated text outputs alone, requiring nothing beyond the ability to submit text fragments and observe next-token predictions. Our approach is grounded in a key observation: popular, widely-circulated texts -- such as classical literature, religious texts, and foundational documents -- are present in virtually every large-scale pretraining corpus, and how accurately a model predicts the next word across text fragments of varying length is a reliable signal of how much it has memorized them, which in turn is fundamentally limited by its total parameter count. We aggregate this memorization signal across a diverse corpus of texts and fragment lengths into a single accuracy profile vector per model, and build two complementary inference methods on top of it: a pairwise statistical test that determines which of two models is larger, and a scaling-law estimator that extracts a one-dimensional latent index from these vectors via Principal Component Analysis (PCA) to map the aggregated signal to a parameter count. Validated on a broad set of open-weight models, both methods produce accurate and reliable lower bounds. When applied to popular closed-weight models, our framework recovers internal product hierarchies and reveals a clear divergence in industry scaling strategies: while some developers yield significantly higher bounds indicative of large generational parameter growth, others operate under strict parameter ceilings, demonstrating that hidden design choices can be systematically probed even under strict API limitations.
Authors: Thalea Schlender, Peter A. N. Bosman, Tanja Alderliesten
Abstract: Survival analysis concerns the task of predicting the time until an event occurs. Often used in the medical field, survival analysis deals with incomplete (i.e., censored) data, for instance, from patients who did not experience the event during the duration of the study. For practical use, both accuracy and interpretability are important. Survival trees are easy-to-follow survival models that split the patient cohort recursively into discrete patient groups. Whilst survival trees can capture complex relationships, they typically need to grow large, threatening interpretability. Moreover, survival trees are often built using greedy approaches that may overlook globally optimal split combinations, limiting predictive performance. Shallow survival trees require expressive, higher-order feature combinations to achieve competitive accuracy. We therefore use genetic programming to multi-objectively evolve inherently inspectable feature sets and study how they interact with different tree induction strategies. We further introduce an evolutionary approach that jointly optimises the survival tree structure and the non-linear split logic. Our findings demonstrate that evolutionary feature construction improves predictive performance across different tree induction strategies on two real-world datasets and two different survival tree depths. Given its speed and flexible presentation, the multi-objective evolution of entire trees likely holds the most future promise.
Authors: Jan Bauer, Celeste De Schamphelaere, Adam Karvonen, Niclas Luick, Neel Nanda
Abstract: Activation Oracles (AOs) are promising methods for interpreting residual stream activations. However, current AOs face important issues, such as hallucinations and vagueness. Additionally, text-inversion confounds make them hard to evaluate. To this end, we improve the Activation Oracle (AO) training regime in four ways: training on on-policy rollouts, improving the conversational dataset, feeding more layers and an improvement to the injection formula. The capability improvements are marginal, but quality of life improvements are quite substantial. In addition, we open source the first comprehensive evaluation suite for AO quality, which we call AObench. Overall, we hope that our work sets a foundation that helps improve AOs and other models in the paradigm of scalable, end-to-end interpretability.
Authors: Evan Duan
Abstract: Quantization is a standard path to deploying large language models, and quantized models are typically judged acceptable when perplexity or downstream accuracy remains close to the full-precision original. But behavioral parity need not imply feature fidelity: the sparse-autoencoder (SAE) features used to interpret a full-precision model may change after weight rounding. We test this directly by using a frozen SAE as a fixed measurement basis, encoding full-precision and round-to-nearest (RTN) quantized activations on identical tokens, and measuring per-feature survival by Pearson correlation across bit-widths from INT8 to INT4 on Pythia-70M and Gemma-2-2B. Our central finding is that perplexity can miss feature damage: on Gemma-2-2B, INT7 improves perplexity while degrading 18.7% of active SAE features, and under sliding-window evaluation INT6 also improves perplexity while only 51.3% of active features survive. Feature survival is graded rather than cliff-like, with 62.4% of active Pythia features and 51.3% of active Gemma features surviving at INT6; most non-surviving features are blurred rather than fully damaged. Survival is also predictable from full-precision feature statistics alone, with cross-validated AUC 0.92--0.97 and peak activation as the strongest marginal predictor. Finally, RTN quantization and matched-perplexity magnitude pruning damage strongly overlapping feature sets, with Jaccard overlap 0.79--0.86 and damage-score Spearman correlation 0.98. These results show that behavioral metrics alone are insufficient evidence that full-precision interpretability findings transfer to quantized models, motivating feature-level audits of compression.
Authors: Bingxu Liu, Jiashun Liu, Johan Obando-Ceron, Hao Wang, Runze Liu, Pablo Samuel Castro, Aaron Courville, Ling Pan
Abstract: While Proximal Policy Optimization (PPO) demonstrates strong performance in stationary settings, we show that its standard optimization paradigm struggles in continual and non-stationary environments. The failure does not stem from insufficient model capacity or overly restrictive clipping. Instead, PPO performs persistent, directionally inefficient local updates, which indicates a lack of geometry-aware guidance for accumulating meaningful behavioral change and ultimately hindering transitions toward new behavior patterns. Although divergence-based regularization introduces partial geometric awareness, its monotonically increasing penalties implicitly discourage large policy deviations, even when such shifts are necessary for effective adaptation. To address this limitation, we propose Gaussian Trust Region Policy Optimization (GTR), which reshapes the trust region using a Gaussian kernel. The resulting constraint is bounded and non-monotonic, providing strong local stability while progressively relaxing under sustained high-advantage updates. To further improve robustness, we introduce a Mixture Gaussian Anchor that adapts to recent policy trajectories, reducing variance induced by stale references. GTR is architecture-agnostic and achieves strong performance across games, simulated robotic control, open-world exploration, and language model post-training. These results demonstrate that geometry-aware trust-region design can be a promising direction for robust reinforcement learning in complex non-stationary environments. Our code is available at https://anonymous.4open.science/r/GTR_demo/README.md.
Authors: Yohei Kakimoto, Yuto Omae, Hirotaka Takahashi
Abstract: For nonconvex optimization problems whose objective is the prediction function of a trained Support Vector Regression (SVR) model with the Gaussian radial basis function (RBF) kernel (RBF-SVR), we present a framework that applies the difference of convex functions (DC) algorithm (DCA) by exploiting the analytical structure of the RBF kernel to construct an explicit DC decomposition. Specifically, we derive in closed form both the lower bound $\mu$ of the strong convexity parameter of the DC components and the upper bound $L$ of the gradient Lipschitz constant of the subproblem. Both $\mu$ and $L$ are determined solely by the post-training dual-coefficient sum $C_{\alpha}$ and the RBF kernel parameter $\gamma$, together with the DC decomposition parameter $\rho$, and they share a common leading term $C_{\alpha}\rho$. Through numerical experiments on six benchmark functions, we show that $C_{\alpha}\rho$ is the primary single quantity characterizing both the convergence properties and the initial-point dependence of DCA, and further demonstrate that it decomposes into two independent pathways, $C \to C_{\alpha}$ and $\gamma \to \rho$, with its primary variation governed by the SVR hyperparameters $(C, \gamma)$. Together, these results allow the convergence properties of DCA on RBF-SVR to be assessed in advance through the single scalar quantity $C_{\alpha}\rho$: approximately from $(C, \gamma)$ before training, and exactly in closed form after training.
Authors: Gagik Magakyan, Pablo Parrilo, Asuman Ozdaglar
Abstract: Orthonormalized update rules have rapidly become a leading choice of optimizer for training large language models, with recent open-source state-of-the-art models adopting Muon. To keep these updates tractable, Muon performs the orthonormalization with the Newton--Schulz (NS) iteration. Since NS is only approximate, directions with small singular values fail to be orthonormalized. In Muon, NS is applied to the momentum matrix at every step, yet little is known about how the singular value spectrum of these momentum matrices behaves during training, or how that behavior changes with model size. We present the first systematic study of this question. Tracking singular value quantiles of the momentum buffer across layers in models ranging from 77M to 2.8B parameters, we observe a consistent picture: after a short burn-in, the quantiles stabilize at a value determined by the layer type and model size. These stabilization values follow remarkably clean power laws in model size, with layer-dependent exponents. Layers up to mid-late depth scale very mildly with model size $M$ (around $M^{-0.25}$), so the standard 5-step NS configuration used at academic scale will continue to orthonormalize them at much larger scales. Some of the late layers, however, scale much more aggressively (up to $M^{-0.96}$) and will fall into the NS failure regime at frontier scale unless one uses more NS iterations or better-tuned coefficients. NS iterations are computationally expensive at scale; our laws give practitioners a principled, layer-aware recipe for choosing the minimum NS configuration that still orthonormalizes the directions that matter -- avoiding unnecessary computation without sacrificing update quality.
Authors: Mohit Prashant, Arvind Easwaran
Abstract: Guaranteeing safety is critical to the deployment of reinforcement learning (RL) agents in the real-world, especially as policies learned using deep RL may demonstrate susceptibility to transition perturbations that result in unknown or unsafe behaviour. A method of policy verification is to construct probabilistic barrier-certificates by sampling policy trajectories with respect to safety constraints, thereby demarcating known safe behaviour from unknown behaviour. Obtaining tight upper and lower bounds on the probability of violation of these constraints may be difficult if the policy is susceptible to transition uncertainty or perturbation that places the agent in insufficiently explored states. To address this, we approximate the distribution of the encountered state-space using a variational autoencoder (VAE) and construct upper and lower-bound barrier-certificates using latent characteristics of states to optimize for regions of known, safe behaviour with high confidence. We frame this in our work as a dual optimization problem where the lower-bound barrier-certificate presents a more conservative estimate of the safe region than the upper-bound barrier-certificate. Sampling states that lie within the set difference of the two during training, i.e. the non-robust region, allows us to tighten the upper and lower bounds to provide sharper probabilistic guarantees on safety. Within our study, we describe the guarantees placed and demonstrate the tightness of our bounds experimentally.
Authors: Rishabh Agrawal, Jacob Fein-Ashley, Paria Rashidinejad
Abstract: Reasoning models have advanced rapidly, but the dominant reinforcement learning from verifiable rewards (RLVR) recipe remains surprisingly narrow: sample many responses and reward each with a single bit indicating whether the final answer is correct. Yet many settings provide rich feedback, including execution traces, tool outputs, expert corrections, and model self-evaluations. We study how to use such feedback through a distributional variant of the classic imitation learning algorithm DAgger, where the learner has local access to an expert distribution on states visited by the current policy. This yields a simple forward cross-entropy objective that admits a blackbox expert and whose sequence-level gradient {conduct rich credit assignment by propagating} future expert-student disagreement back to earlier decisions. We show that prior RL with self-distillation objectives based on reverse KL or Jensen-Shannon fail to guarantee monotonic policy improvement: even when the expert has higher reward, their updates may increase probability on worse actions. In contrast, we show that forward cross-entropy admits monotonic policy improvement and enjoys guarantees on regret. We further show that our objective optimizes a lower bound on teacher-weighted likelihood of success, leading to improved Pass@N. Empirically, our approach, DistIL, improves over RLVR and RL with self-distillation baselines across a variety of domains: scientific reasoning, coding, and solving hard mathematical problems.
Authors: Shuo Wang, Xiangyu Wang, Quanxin Wang, Bailin Wu, Bokui Wang, Shunyang Huang, Boyan Deng, Haonan Liu, Ruiyi Fang, Zhenxiang Xu, Boyu Wang, Zhao Kang
Abstract: Current evaluation practices in relational learning rely heavily on flat leaderboards that average performance across heterogeneous datasets, implicitly assuming a uniform underlying structure. We show that this assumption introduces systematic bias: it obscures geometry-dependent performance variations and can lead to misleading conclusions about model generalization. In this work, we identify intrinsic geometry as a key latent factor governing model effectiveness. We demonstrate that conventional aggregated metrics mask critical performance trade-offs that only become visible when datasets are stratified by their geometric properties. To address this issue, we introduce a curvature-stratified evaluation framework that partitions datasets into positive, negative, and near-zero curvature regimes. Our benchmark evaluates 18 representative models including Graph Convolutional Networks (GCNs), Graph Foundation Models (GFMs), and tabular learning methods across 14 datasets. We find that model rankings are highly stable within each curvature regime but shift significantly across regimes, indicating that performance is fundamentally geometry-dependent rather than universally transferable. Notably, we identify regimes where GFMs offer diminishing returns compared to geometry-aligned GNNs. Based on these findings, we propose a geometry-aware evaluation protocol that yields more reliable and interpretable comparisons than standard aggregated benchmarks. We release all code, curvature-stratified dataset splits, and evaluation tools to support reproducible and rigorous assessment of future relational learning methods. Code and datasets are provided in our project homepage: https://sirbabbage.github.io/CurvBench_HOME/.
Authors: Zhengyu Huang, Weizhi Du, Theodore B. Norris
Abstract: We propose an unsupervised deep learning based method to estimate depth from focal stack camera images. On the NYU-v2 dataset, our method achieves much better depth estimation accuracy compared to single-image based methods.
Authors: Rahul Bera, Konstantinos Kanellopoulos, Shankar Balachandran, David Novo, Ataberk Olgun, Mohammad Sadrosadati, Onur Mutlu
Abstract: Long-latency load requests continue to limit the performance of high-performance processors. To increase the latency tolerance of a processor, architects have primarily relied on two key techniques: sophisticated data prefetchers and large on-chip caches. In this work, we show that: 1) even a sophisticated state-of-the-art prefetcher can only predict half of the off-chip load requests on average across a wide range of workloads, and 2) due to the increasing size and complexity of on-chip caches, a large fraction of the latency of an off-chip load request is spent accessing the on-chip cache hierarchy. The goal of this work is to accelerate off-chip load requests by removing the on-chip cache access latency from their critical path. To this end, we propose a new technique called Hermes, whose key idea is to: 1) accurately predict which load requests might go off-chip, and 2) speculatively fetch the data required by the predicted off-chip loads directly from the main memory, while also concurrently accessing the cache hierarchy for such loads. To enable Hermes, we develop a new lightweight, perceptron-based off-chip load prediction technique that learns to identify off-chip load requests using multiple program features (e.g., sequence of program counters). For every load request, the predictor observes a set of program features to predict whether or not the load would go off-chip. If the load is predicted to go off-chip, Hermes issues a speculative request directly to the memory controller once the load's physical address is generated. If the prediction is correct, the load eventually misses the cache hierarchy and waits for the ongoing speculative request to finish, thus hiding the on-chip cache hierarchy access latency from the critical path of the off-chip load. Our evaluation shows that Hermes significantly improves performance of a state-of-the-art baseline. We open-source Hermes.
Authors: Aparajithan Venkateswaran, Anirudh Sankar, Arun G. Chandrasekhar, Tyler H. McCormick
Abstract: In both observational data and randomized control trials, researchers select statistical models to articulate how the outcome of interest varies with combinations of observable covariates. Choosing a model that is too simple can obfuscate important heterogeneity in outcomes between covariate groups, while too much complexity risks identifying spurious patterns. In this paper, we propose a novel Bayesian framework for model uncertainty called Rashomon Partition Sets (RPSs). The RPS consists of all models that have posterior density close to the maximum a posteriori (MAP) model. We construct the RPS by enumeration, rather than sampling, which ensures that we explore all models with high evidence in the data, even if they offer dramatically different substantive explanations. We use a l0 prior, which allows the allows us to capture complex heterogeneity without imposing strong assumptions about the associations between effects, showing this prior is minimax optimal from an information-theoretic perspective. We characterize the approximation error of (functions of) parameters computed conditional on being in the RPS relative to the entire posterior. We propose an algorithm to enumerate the RPS from the class of models that are interpretable and unique, then provide bounds on the size of the RPS. We give simulation evidence along with three empirical examples: price effects on charitable giving, heterogeneity in chromosomal structure, and the introduction of microfinance.
Authors: Jing Xu, Franziska Boenisch, Adam Dziedzic
Abstract: Graph Neural Networks (GNNs) achieve high performance in various real-world applications, such as drug discovery, traffic states prediction, and recommendation systems. The fact that building powerful GNNs requires a large amount of training data, powerful computing resources, and human expertise turns the models into lucrative targets for model stealing attacks. Prior work has revealed that the threat vector of stealing attacks against GNNs is large and diverse, as an attacker can leverage various heterogeneous signals ranging from node labels to high-dimensional node embeddings to create a local copy of the target GNN at a fraction of the original training costs. This diversity in the threat vector renders the design of effective and general defenses challenging and existing defenses usually focus on one particular stealing setup. Additionally, they solely provide means to identify stolen model copies rather than preventing the attack. To close this gap, we propose the first and general Active Defense Against GNN Extraction (ADAGE). ADAGE builds on the observation that stealing a model's full functionality requires highly diverse queries to leak its behavior across the input space. Our defense monitors this query diversity and progressively perturbs outputs as the accumulated leakage grows. In contrast to prior work, ADAGE can prevent stealing across all common attack setups. Our extensive experimental evaluation using six benchmark datasets, four GNN models, and three types of adaptive attackers shows that ADAGE penalizes attackers to the degree of rendering stealing impossible, whilst preserving predictive performance on downstream tasks. ADAGE, thereby, contributes towards securely sharing valuable GNNs in the future.
Authors: Wayner Barrios, Andr\'es Villa, Juan Le\'on Alc\'azar, SouYoung Jin, Bernard Ghanem
Abstract: Multimodal Large Language Models (MLLMs) have achieved remarkable success in instruction-following tasks by integrating pretrained visual encoders with large language models (LLMs). However, existing approaches often struggle with fine-grained visual grounding due to semantic entanglement in visual patch representations, where individual patches blend multiple distinct visual elements, making it difficult for models to focus on instruction-relevant details. To address this challenge, we propose MoDA (Modulation Adapter), a lightweight module that enhances visual grounding through instruction-guided channel-wise modulation. Unlike token-level methods such as Q-Former that perform additive feature selection, MoDA operates at the channel level through multiplicative modulation on already-aligned features, enabling fine-grained control over which embedding dimensions are relevant for each instruction. Following the standard LLaVA training protocol, MoDA applies cross-attention between language instructions and pre-aligned visual features, generating dynamic modulation masks without architectural modifications or additional supervision. We evaluate MoDA across 12 benchmarks spanning visual question answering, vision-centric reasoning, and hallucination detection, including recent 2024 benchmarks (MMVP, CV-Bench, MMStar, RealWorldQA), on three distinct MLLM architectures: LLaVA-1.5, LLaVA-MoRE (2025), and Qwen3-VL (2025). MoDA delivers consistent gains across all three families, with +12.0 points on MMVP for the LLaVA-1.5 family and +4.8 points on ScienceQA for the LLaVA-MoRE family, and +4.9 ScienceQA, +4.1 RealWorldQA, and +3.8 GQA on Qwen3-VL, confirming that the gains generalize beyond CLIP-based encoders with minimal overhead (<1% FLOPs). Code is available at https://github.com/waybarrios/MoDA.
Authors: Tian Xie, Menghui Jiang, Chao Zeng, Huifang Li, Guanhao Zhang, Chan Li, Huanfeng Shen
Abstract: Land surface temperature (LST) is a fundamental physical variable in land-atmosphere interactions, surface energy budgets, and climate processes. LST derived from medium- to high-resolution thermal infrared (TIR) observations effectively reveals thermal environmental disparities across distinct landscape units. However, achieving accurate, robust, and globally generalizable LST retrieval remains challenging under complex atmospheric conditions and diverse land cover types. Traditional split window (SW) algorithms heavily rely on empirical parameterizations, whose fixed coefficients fail to adapt to complex scenarios such as high surface temperatures and high atmospheric water vapor content. Concurrently, conventional data-driven models exhibit limited generalizability to out-of-distribution (OOD) samples due to the absence of explicit physical structure constraints. To address these issues, this study proposes a Parallel Component Decoupled Neural Network (PCD-Net) framework, which reformulates SW retrieval as a dynamic learning problem of physical component coefficients. Using the SW equation as the physical backbone, the framework constructs parallel subnetworks to adaptively learn the dynamic coefficients corresponding to the constant, first-order, and second-order brightness temperature difference terms; meanwhile, a residual branch is incorporated to supplement the nonlinear coupling corrections induced by the joint effects of surface emissivity and atmospheric water vapor. Through this component-level decoupled modeling, PCD-Net explicitly characterizes the dynamic response relationships between land surface emissivity, atmospheric water vapor content, and different SW physical components.
Authors: Leon Chlon, Ahmed Karim, Maggie Chlon, MarcAntonio Awada
Abstract: Transformers used for evidence-grounded binary adjudication (e.g., support/refute, yes/no, or verifier-backed pass/fail decisions) can be sensitive to the order in which exchangeable evidence is presented, producing dispersion across permutations and unreliable attempted answers under a verifier-relative Bernoulli predicate. We treat evidence order as a nuisance variable and formalize an expectation-realization gap: next-token training can minimize expected conditional description length over orderings while a fixed ordering remains position-sensitive. Our Quantified Martingale Violation (QMV) bound predicts the dispersion induced by adjacent-rank positional sensitivity, with $O(\log n)$ growth in the harmonic regime; our Expectation-level Decompression Law (EDFL) specializes a KL convexity/data-processing bound to Bernoulli predicates, yielding Bits-to-Trust (B2T), Risk-of-Hallucination (RoH), and an Information Sufficiency Ratio (ISR) gate for answer/abstain decisions. On 3,059 grounded items from FEVER, HotpotQA, NQ-Open, PopQA, and Controls, we observe logarithmic dispersion and positive Jensen gains from uniform permutation mixtures. In one pre-specified held-out audit (528 items), the analytically fixed ISR$=1$ gate attains 0.0-0.7% hallucination with 20.6-27.9% abstention (95% CIs), supporting the operating point without claiming universal calibration across all model families or unrestricted generation.
Authors: Sangeek Hyun, MinKyu Lee, Jae-Pil Heo
Abstract: Scalability has driven recent advances in generative modeling, yet its principles remain underexplored for adversarial learning. We investigate the scalability of Generative Adversarial Networks (GANs) through two design choices that have proven to be effective in other types of generative models: training in a compact Variational Autoencoder latent space and adopting purely transformer-based generators and discriminators. Training in latent space enables efficient computation while preserving perceptual fidelity, and this efficiency pairs naturally with plain transformers, whose performance scales with computational budget. Building on these choices, we analyze failure modes that emerge when naively scaling GANs. Specifically, we find issues as underutilization of early layers in the generator and optimization instability as the network scales. Accordingly, we provide simple and scale-friendly solutions as lightweight intermediate supervision and width-aware learning-rate adjustment. Our experiments show that GAT, a purely transformer-based and latent-space GANs, can be easily trained reliably across a wide range of capacities (S through XL). Moreover, GAT-XL/2 achieves state-of-the-art single-step, class-conditional generation performance (FID of 2.18) on ImageNet-256 in just 60 epochs, 4x fewer epochs than strong baselines. Project page: https://hse1032.github.io/GAT.
Authors: Ming Zhong, Xiang Zhou, Ting-Yun Chang, Qingze Wang, Nan Xu, Xiance Si, Dan Garrette, Shyam Upadhyay, Jeremiah Liu, Jiawei Han, Benoit Schillings, Jiao Sun
Abstract: Large Language Models (LLMs) have catalyzed vibe coding, where users leverage LLMs to generate and iteratively refine code through natural language interactions until it passes their vibe check. Vibe check reflects human preference and goes beyond functionality: the solution should feel right, read cleanly, preserve intent, and remain correct. However, current code evaluation remains anchored to pass@k and captures only functional correctness, overlooking non-functional instructions that users routinely apply. In this paper, we hypothesize that instruction following is the missing piece underlying vibe check besides functional correctness. To quantify models' code instruction-following capabilities with measurable signals, we present VeriCode, a taxonomy of 30 verifiable code instructions together with deterministic verifiers. We use the taxonomy to augment established evaluation suites, resulting in SWE-IF, a testbed to assess both instruction following and functional correctness. Evaluating 31 LLMs, we show that even the strongest models struggle to comply with multiple instructions and exhibit functional regression. Most importantly, a composite score of functional correctness and instruction following correlates best with human preference, with instruction following emerging as the primary differentiator among LLMs. Our code, data, and taxonomy are available at https://github.com/maszhongming/SWE-IF.
Authors: Farhad Rezazadeh, Amir Ashtari Gargari, Hatim Chergui, Sandra Lagen, Merouane Debbah, Houbing Song, Lingjia Liu
Abstract: We argue that sixth-generation (6G) intelligence is not fluent token prediction but the capacity to imagine and choose -- to simulate future scenarios, weigh trade-offs, and act with calibrated uncertainty. We reframe open radio access network (O-RAN) near-real-time (Near-RT) control via counterfactual dynamics and a world modeling (WM) paradigm that learns an action-conditioned generative state space. This enables quantitative "what-if" forecasting beyond large language models (LLMs) as the primary modeling primitive. Actions such as physical resource blocks (PRBs) are treated as first-class control inputs in a causal world model, and both aleatoric and epistemic uncertainty are modeled for prediction and what-if analysis. An agentic, model predictive control (MPC)-based cross-entropy method (CEM) planner operates over short horizons, using prior-mean rollouts within data-driven PRB bounds to maximize a deterministic reward. The model couples multi-scale structured state-space mixtures (MS3M) with a compact stochastic latent to form WM-MS3M, summarizing key performance indicators (KPIs) histories and predicting next-step KPIs under hypothetical PRB sequences. On realistic O-RAN traces, WM-MS3M cuts mean absolute error (MAE) by 1.69% versus MS3M with 32% fewer parameters and similar latency, and achieves 35-80% lower root mean squared error (RMSE) than attention/hybrid baselines with 2.3-4.1x faster inference, enabling rare-event simulation and offline policy screening.
Authors: Ionut-Gabriel Farcas, Don Lawrence Carl Agapito Fernando, Alejandro Banon Navarro, Gabriele Merlo, Frank Jenko
Abstract: Constructing reduced models for turbulent transport is essential for accelerating profile predictions and enabling many-query tasks such as parameter exploration and design optimization. This work investigates machine-learning-driven reduced models for Electron Temperature Gradient (ETG) turbulence in the Wendelstein 7-X (W7-X) stellarator. We develop physics-guided scaling laws to predict the ETG heat flux at seven radial locations as functions of three key plasma parameters: the normalized electron temperature gradient ($\omega_{T_e}$), the ratio of normalized electron temperature and density gradients ($\eta_e$), and the electron-to-ion temperature ratio ($\tau$). The model coefficients are determined through regression combined with an active learning strategy. The procedure initializes the scaling laws using low-cardinality sparse-grid training data and iteratively enriches the training set by selecting maximally informative samples from an existing simulation database. The predictive performance of the models is assessed using out-of-sample datasets comprising more than $393$ points per radial location. Using the coefficients identified at the seven training radial locations, we further derive regression-based parameterizations for the scaling-law coefficients as functions of radial position. The resulting models are then evaluated at three additional radial locations not used during training, including both interpolation and moderate extrapolation cases. Overall, our reduced models demonstrate good predictive performance and achieve accuracy comparable to the original reference simulations, including in interpolation and moderate extrapolation regimes. An important finding is that a single radius-independent model cannot adequately describe ETG transport across the W7-X core, suggesting the presence of geometry-dependent physics not captured by the present formulation.
Authors: Melissa Z. Pan, Negar Arabzadeh, Riccardo Cogo, Yuxuan Zhu, Alexander Xiong, Lakshya A Agrawal, Huanzhi Mao, Emma Shen, Sid Pallerla, Liana Patel, Shu Liu, Tianneng Shi, Xiaoyuan Liu, Jared Quincy Davis, Emmanuele Lacavalla, Alessandro Basile, Shuyi Yang, Paul Castro, Daniel Kang, Koushik Sen, Dawn Song, Joseph E. Gonzalez, Ion Stoica, Matei Zaharia, Marquita Ellis
Abstract: LLM-based agents already operate in production across many industries, yet we lack an understanding of what technical methods make deployments successful. We present the first systematic study of Measuring Agents in Production, MAP, using first-hand data from agent developers. We conducted 20 case studies via in-depth interviews and surveyed 86 deployed systems practitioners across 26 domains. We investigate why organizations build agents, how they build them, how they evaluate them, and their top development challenges. Our study finds that production agents are built using simple, controllable approaches: 68% execute at most 10 steps before human intervention, 70% rely on prompting off-the-shelf models instead of weight tuning, and 74% depend primarily on human evaluation. Reliability (consistent correct behavior over time) remains the top development challenge, which practitioners currently address through systems-level design. MAP documents the current state of production agents, providing the research community with visibility into deployment realities and underexplored research avenues.
Authors: Wenjing Lu, Zerui Tao, Yuning Qiu, Dongping Zhang, Yang Yang, Qibin Zhao
Abstract: CLIP delivers strong zero-shot classification but remains highly vulnerable to adversarial attacks. Prior adversarial fine-tuning work primarily matches predicted logits between clean and adversarial examples, which overlooks uncertainty calibration and may degrade the zero-shot generalization. A common expectation in reliable uncertainty estimation is that predictive uncertainty should increase as inputs become more difficult or shift away from the training distribution. However, we frequently observe the opposite in the adversarial setting: perturbations not only degrade accuracy but also suppress uncertainty, leading to severe miscalibration and over-confidence. This reveals a critical reliability gap beyond robustness. To bridge this gap, we propose an adversarial fine-tuning objective for CLIP considering both accuracy and uncertainty. By reparameterizing CLIP outputs as the concentration parameters of a Dirichlet distribution, we propose a unified representation that captures relative semantic structure and confidence magnitude. This enables holistic distribution alignment under perturbations, moving beyond single-logit anchoring and restoring calibrated uncertainty. Experiments across multiple zero-shot benchmarks demonstrate that our method significantly improves uncertainty calibration and achieves competitive adversarial robustness while preserving clean accuracy.
Authors: Jiaru Zou, Ling Yang, Yunzhe Qi, Sirui Chen, Mengting Ai, Ke Shen, Jingrui He, Mengdi Wang
Abstract: Agentic reinforcement learning has advanced large language models (LLMs) to reason through long chain-of-thought trajectories while interleaving external tool use. Existing approaches assume a fixed inventory of tools, which limits the adaptability of LLM agents to new or evolving toolsets. We present AutoTool, a training framework that equips LLM agents with dynamic tool-selection capabilities throughout their reasoning trajectories. AutoTool employs a dual-phase optimization pipeline: (i) SFT and RL-based trajectory stabilization for coherent reasoning, and (ii) KL-regularized Plackett-Luce Ranking to refine consistent multi-step tool selection. We further build a 200k dataset with explicit tool-selection rationales across 1,000+ tools and 100+ tasks spanning mathematics, science, code generation, and multimodal reasoning. Across ten diverse benchmarks, we train two base models, Qwen3-8B and Qwen2.5-VL-7B, with AutoTool. With fewer parameters, AutoTool consistently outperforms advanced LLM agents and tool-integration methods, yielding average gains of 6.4% in math & science reasoning, 4.5% in search-based QA, 7.7% in code generation, and 6.9% in multimodal understanding. In addition, AutoTool exhibits stronger generalization by dynamically leveraging unseen tools from evolving toolsets during inference.
Authors: Yoon Pyo Lee, Samrendra Roy, Kazuma Kobayashi, Sajedul Talukder, Diab Abueidda, Seid Koric, Souvik Chakraborty, Syed Bahauddin Alam
Abstract: The prevailing paradigm in AI for physical systems: scaling general-purpose foundation models toward universal multimodal reasoning, confronts a barrier at the control interface. Frontier vision-language models achieve only 50-53% accuracy on basic quantitative physics tasks, behaving as approximate guessers that preserve semantic plausibility while violating physical constraints. Safety-critical control demands outcome-space guarantees over executed actions, not parameter-space imitation. Here we present a pathway toward domain-specific foundation models through compact language models operating as Agentic Physical AI: policy optimization driven by physics-based simulator validation rather than perceptual inference. We train a 360M-parameter model on synthetic nuclear reactor scenarios scaled from 10^3 to 10^5 examples. Scaling produces strong, regime-dependent reliability gains under nominal simulated conditions, with variance collapse of approximately 500x and elimination of >10% terminal-power excursions on the sampled distribution. Despite balanced exposure to four actuation families, the model concentrates 95% of runtime execution on a single-bank strategy, without reinforcement learning or reward engineering. Representations transfer across simulators without architectural change. We position the system as a candidate decision component within a verification, monitoring, and defense-in-depth architecture, not as a stand-alone safety solution: the demonstrated behavior speaks to closed-loop reliability on a single-step task in simulation and does not yet address off-nominal operation, sensor faults, or uncertainty quantification.
Authors: Lee Hyoseok, Sohwi Lim, Eunju Cha, Tae-Hyun Oh
Abstract: While latent diffusion models (LDMs) have emerged as powerful priors for inverse problems, existing LDM-based solvers frequently suffer from instability. In this work, we first identify the instability as a discrepancy between the solver dynamics and stable reverse diffusion dynamics learned by the diffusion model, and show that reducing this gap stabilizes the solver. Building on this, we introduce \textit{Measurement-Consistent Langevin Corrector (MCLC)}, a theoretically grounded plug-and-play stabilization module that remedies the LDM-based inverse problem solvers through measurement-consistent Langevin updates. Compared to prior approaches that rely on linear manifold assumptions, which often fail to hold in latent space, MCLC provides a principled stabilization mechanism, leading to more stable and reliable behavior in latent space.
Authors: Yongliang Miao, Yangyang Liang, Mengnan Du
Abstract: Reward modeling is essential for aligning large language models with human preferences, yet predominant architectures rely on a static pooling strategy to condense sequences into scalar scores. This paradigm, however, suffers from two key limitations: a static inductive bias that misaligns with task-dependent preference signals, and a representational mismatch, as the backbone's optimization for generation leaves its representations ill-suited to fine-grained discrimination. To address this, we propose AdaJudge, a unified framework that jointly adapts representation and aggregation. AdaJudge first improves backbone representations into a discrimination-oriented space via gated refinement blocks. It then replaces the static readout with an adaptive multi-view pooling module, which dynamically routes and combines evidence. Extensive experiments on RM-Bench and JudgeBench show that AdaJudge outperforms strong off-the-shelf reward models and traditional pooling baselines.
Authors: Farhad Rezazadeh, Hatim Chergui, Amir Ashtari Gargari, Mehdi Bennis, Houbing Song, Lingjia Liu, Merouane Debbah
Abstract: Proactive and agentic control in Sixth-Generation (6G) Open Radio Access Networks (O-RAN) requires control-grade prediction under stringent Near-Real-Time (Near-RT) latency and computational constraints. While Transformer-based models are effective for sequence modeling, their quadratic complexity limits scalability in Near-RT RAN Intelligent Controller (RIC) analytics. This paper investigates a post-Transformer design paradigm for efficient radio telemetry forecasting. We propose a quantum-inspired many-body state-space tensor network that replaces self-attention with stable structured state-space dynamics kernels, enabling linear-time sequence modeling. Tensor-network factorizations in the form of Tensor Train (TT) / Matrix Product State (MPS) representations are employed to reduce parameterization and data movement in both input projections and prediction heads, while lightweight channel gating and mixing layers capture non-stationary cross-Key Performance Indicator (KPI) dependencies. The proposed model is instantiated as an agentic perceive-predict xApp and evaluated on a bespoke O-RAN KPI time-series dataset comprising 59,441 sliding windows across 13 KPIs, using Reference Signal Received Power (RSRP) forecasting as a representative use case. Our proposed Linear Quantum-Inspired State-Space (LiQSS) model is 10.8x-15.8x smaller and approximately 1.4x faster than prior structured state-space baselines. Relative to Transformer-based models, LiQSS achieves up to a 155x reduction in parameter count and up to 2.74x faster inference, without sacrificing forecasting accuracy.
Authors: Ayanava Dasgupta, Naqueeb Ahmad Warsi, Masahito Hayashi
Abstract: We develop an information-theoretic framework connecting stability, privacy, and generalization for quantum learning algorithms. Learning procedures are modeled as quantum instruments with classical-quantum outputs, and losses are represented by observables. We prove that under a classical-quantum sub-Gaussian condition, an information-theoretic stability measure controls the expected generalization error. Furthermore, we establish a high-probability generalization bound using quantum R\'enyi divergences to manage higher-order dependencies under non-commutativity. In the trusted Data Processor setting, quantum differential privacy (QDP) provides a mechanism for stability. We show that one-neighbor QDP strictly bounds the information leaked by the classical-quantum output. Combining this with our stability theorem yields a direct privacy-to-generalization guarantee. We also explore an untrusted Data Processor setting. Here, output privacy alone is insufficient since an adversarial processor could perform a highly informative procedure before applying noisy post-processing. To combat this, we introduce Information-Theoretic Admissibility (ITA), a certification condition ensuring the prescribed procedure is not just a degraded version of a strictly more informative, physically allowed operation on the encoded ensemble. We prove a fundamental separation: while admissibility and privacy are in strong tension in classical models, quantum non-orthogonality makes them compatible. A quantum measurement can be ITA - exhausting all relevant accessible information - without perfectly recovering the classical dataset. We illustrate this separation through a concrete quantum ITA example.
Authors: Qixin Xiao, Kun Zhou
Abstract: Video language models (Video-LLMs) are prone to hallucinations, generating plausible but ungrounded content when visual evidence is weak, ambiguous, or biased. Existing methods, such as contrastive decoding (CD), rely on random perturbations to construct contrastive data for hallucination mitigation, but often fail to target the visual cues that drive hallucination or align with model weaknesses. We propose Model-Aware Counterfactual Data based Contrastive Decoding (MACD), an inference strategy that combines model-guided counterfactual construction with contrastive decoding. MACD uses the Video-LLM's own feedback to identify object regions most responsible for hallucination, generating targeted object-level counterfactual inputs rather than arbitrary frame or temporal modifications. These counterfactual inputs are integrated into CD to enforce evidence-grounded token selection during decoding. Experiments on EventHallusion, MVBench, Perception-test, and Video-MME show that MACD consistently reduces hallucination while maintaining or improving task accuracy across diverse Video-LLMs, including Qwen and InternVL, with especially strong gains in scenarios involving small, occluded, or co-occurring objects.
Authors: Hongxin Xiang, Pengsen Ma, Yunkang Cao, Di Yu, Haowen Chen, Xinyu Yang, Xiangxiang Zeng
Abstract: Recent genomic foundation models largely adopt large language model architectures that treat DNA as a one-dimensional token sequence. However, exhaustive sequential reading is structurally misaligned with sparse and discontinuous genomic semantics, leading to wasted computation on low-information background and preventing understanding-driven compression for long contexts. Here, we present OpticalDNA, a vision-based framework that reframes genomic modeling as Optical Character Recognition (OCR)-style document understanding. OpticalDNA renders DNA into structured visual layouts and trains an OCR-capable vision--language model with a visual DNA encoder and a document decoder, where the encoder produces compact, reconstructible visual tokens for high-fidelity compression. Building on this representation, OpticalDNA defines prompt-conditioned objectives over core genomic primitives-reading, region grounding, subsequence retrieval, and masked span completion-thereby learning layout-aware DNA representations that retain fine-grained genomic information under a reduced effective token budget. Across diverse genomic benchmarks, OpticalDNA consistently outperforms recent baselines; on sequences up to 450k bases, it achieves the best overall performance with nearly 20$\times$ fewer effective tokens, and surpasses models with up to 985$\times$ more activated parameters while tuning only 256k trainable parameters.
Authors: Nicolas Ewen, Jairo Diaz-Rodriguez, Kelly Ramsay
Abstract: Neural-network techniques are often transferred across architecture families by analogy, but such transfer is valid only when the assumptions required by a technique are preserved. We introduce this idea as inheritance between model classes. Using a unified node-level framework with tensor-valued activations, we prove that generalized feedforward networks (GFFNs) form a strict subset of generalized convolutional networks (GCNNs), so GCNN properties transfer directly to GFFNs. The reverse direction is not automatic: standard CNN nodes use spatial kernels, while FFN nodes use one scalar weight per input contribution. We introduce model projection to recover a restricted reverse inheritance path. Projection freezes each convolutional input-channel sub-function and learns one scalar coefficient for each input-output channel contribution, giving projected CNN nodes the GFFN-style trainable structure of scalar-weighted input recombination. This inherited structure leads naturally to parameter-efficient transfer learning. Across multiple ImageNet-pretrained CNN backbones and downstream image-classification datasets, model projection is competitive with standard and PEFT baselines and provides an effective initialization for subsequent full fine-tuning.
Authors: Chenyu Yang, Denis Tarasov, Davide Liconti, Romain Guntz, Hehui Zheng, Robert K. Katzschmann
Abstract: Real-world fine-tuning of dexterous manipulation policies remains challenging due to limited real-world interaction budgets and highly multimodal action distributions. Diffusion-based policies, while expressive, do not permit conservative likelihood-based updates during fine-tuning because action probabilities are intractable. In contrast, conventional Gaussian policies collapse under multimodality, particularly when actions are executed in chunks, and standard per-step critics fail to align with chunked execution, leading to poor credit assignment. We present SERFN, a sample-efficient off-policy fine-tuning framework with normalizing flow (NF) to address these challenges. The normalizing flow policy yields exact likelihoods for multimodal action chunks, allowing conservative, stable policy updates through likelihood regularization and thereby improving sample efficiency. An action-chunked critic evaluates entire action sequences, aligning value estimation with the policy's temporal structure and improving long-horizon credit assignment. To our knowledge, this is the first demonstration of a likelihood-based, multimodal generative policy combined with chunk-level value learning on real robotic hardware. We evaluate SERFN on two challenging dexterous manipulation tasks in the real world: cutting tape with scissors retrieved from a case, and in-hand cube rotation with a palm-down grasp -- both of which require precise, dexterous control over long horizons. On these tasks, SERFN achieves stable, sample-efficient adaptation where standard methods struggle.
Authors: Tobia Boschi, Andrea Loreti, Nicola C. Amorisco, Rodrigo H. Ordonez-Hurtado, C\'ecile Rousseau, George K. Holt, Eszter Sz\'ekely, Alexander Whittle, Samuel Jackson, Adriano Agnello, Stanislas Pamela, Alessandra Pascale, Robert Akers, Juan Bernabe Moreno, Vassil Alexandrov, Mykhaylo Zayats
Abstract: We present TokaMind, to our knowledge the first open-source foundation model for tokamak plasma dynamics, based on a Multi-Modal Transformer (MMT) and pretrained on heterogeneous diagnostics from the publicly available MAST dataset. TokaMind supports multiple data modalities (time-series, 2D profiles, and videos) with different sampling rates, robust missing-signal handling, and efficient task adaptation via selectively loading and freezing four model components. To represent multi-modal signals, we use a lightweight fixed-basis Discrete Cosine Transform embedding (DCT3D) and provide a clean interface for alternative embeddings (e.g., Variational Autoencoders). We evaluate TokaMind on the recently introduced MAST benchmark TokaMark, which comprises 14 tasks with heterogeneous reconstruction and forecasting objectives. Our results show that fine-tuned TokaMind outperforms the strongest benchmark baseline on all but one task. Compared with training the same architecture from scratch under a matched epoch budget, warm-start adaptation is most beneficial on demanding downstream settings, including long-horizon forecasting and high-dimensional equilibrium objectives. These findings highlight the value of multi-modal pretraining for tokamak plasma dynamics and provide a practical, extensible foundation for future fusion modeling tasks. Training code and model weights are publicly available at github.com/UKAEA-IBM-STFC-Fusion-FMs/tokamind and huggingface.co/UKAEA-IBM-STFC, respectively.
Authors: G. Laskaris, D. Morozov, D. Tarpanov, A. Seth, J. Procelewska, G. Sai Gautam, A. Sagingalieva, R. Brasher, A. Melnikov
Abstract: Allegro is a machine learning interatomic potential model designed to predict atomic properties in molecules using E(3) equivariant neural networks. When training this model, there tends to be a trade-off between accuracy and inference time. For this reason, we apply multi-objective hyperparameter optimization to both objectives. Additionally, we experiment with modified architectures by constructing variants of Allegro: one extended with additional classical layers and one incorporating quantum-classical hybrid layers. We evaluate all models on QM9, rMD17-aspirin, rMD17-benzene, and a self-generated dataset of copper-lithium structures. As results, both variants surpass Allegro in force prediction accuracy across multiple datasets. The classical variant consistently improves over the baseline, while the quantum-classical hybrid variant achieves the best overall force prediction accuracy on the Cu-Li dataset, where it was fully optimized, outperforming the classical variant by approximately 13%. Notably, the hybrid variant also achieves competitive results on the remaining datasets despite using hyperparameters transferred from Cu-Li without dataset-specific optimization, suggesting that quantum-classical hybridization is a promising direction for enhancing MLIP architectures.
Authors: Shivam Pande, Nicolas Nadisic, Francisco Mederos-Henry, Aleksandra Pizurica
Abstract: Spectroscopic imaging (SI) has become central to heritage science because it enables non-invasive, spatially resolved characterisation of materials in artefacts. In particular, attenuated total reflection Fourier transform infrared microscopy (ATR-$\mu$FTIR) is widely used to analyse painting cross-sections, where a spectrum is recorded at each pixel to form a hyperspectral image (HSI). Interpreting these data is difficult: spectra are often mixtures of several species in heterogeneous, multi-layered and degraded samples, and current practice still relies heavily on manual comparison with reference libraries. This workflow is slow, subjective and hard to scale. We propose an unsupervised CNN autoencoder for blind unmixing of ATR-$\mu$FTIR HSIs, estimating endmember spectra and their abundance maps while exploiting local spatial structure through patch-based modelling. To reduce sensitivity to atmospheric and acquisition artefacts across more than 1500 bands, we introduce a weighted spectral angle distance (WSAD) loss with automatic band-reliability weights derived from robust measures of spatial flatness, neighbour agreement and spectral roughness. Compared with standard SAD training, WSAD improves interpretability in contamination-prone spectral regions. We demonstrate the method on an ATR-$\mu$FTIR cross-section from the Ghent Altarpiece by the Van Eyck brothers.
Authors: Moin Amin-Naseri, Hannah Kim, Estevam Hruschka
Abstract: The extraction of structured information from raw text is a fundamental component of many NLP applications, including document retrieval, ranking, and relevance estimation. High-quality extractions often require domain-specific accuracy, up-to-date understanding of specialized taxonomies, and the ability to incorporate emerging jargon and rare outliers. In many domains--such as medical, legal, and HR--the extraction model must also adapt to shifting terminology and benefit from explicit reasoning over structured knowledge. We propose DySECT, a Dynamic Self-Evolving Extraction and Curation Toolkit, which continually improves as it is used. The system incrementally populates a versatile, self-expanding knowledge base (KB) with triples extracted by the LLM. The KB further enriches itself through the integration of probabilistic knowledge and graph-based reasoning, gradually accumulating domain concepts and relationships. The enriched KB then feeds back into the LLM extractor via prompt tuning, sampling of relevant few-shot examples, or fine-tuning using KB-derived synthetic data. As a result, the system forms a symbiotic closed-loop cycle in which extraction continuously improves knowledge, and knowledge continuously improves extraction.
Authors: Phillip Long, Zachary Novack, Chris Donahue
Abstract: Autoregressive "language" models (LMs) trained on raw waveforms can be repurposed for lossless audio compression, but prior work is limited to 8-bit audio, leaving open whether such approaches work for practical settings (16/24-bit) and can compete with existing codecs. We benchmark LM-based compression on full-fidelity audio across diverse domains (music, speech, bioacoustics), sampling rates (16kHz-48kHz), and bit depths (8, 16, 24-bit). Standard sample-level tokenization becomes intractable at higher bit depths due to vocabulary size (65K for 16-bit; 16.7M for 24-bit). We propose Trilobyte, a byte-level tokenization schema for full resolution audio, improving vocabulary scaling from $O(2^{b})$ to $O(1)$ and enabling the first tractable 24-bit LM-based lossless compression. While LMs consistently outperform FLAC and yield state-of-the-art compression at 8-bit and 16-bit, we observe that compression gains become more modest as bit depth increases beyond 8-bit.
Authors: Jonathan Lys, Vincent Gripon, Axel Marmoret, Lukas Mauch, Fabien Cardinaux, Ghouthi Boukli Hacene, Bastien Pasdeloup
Abstract: Discrete diffusion models are promising alternatives to autoregressive approaches for text generation, yet their decoding methods remain under-studied. Standard autoregressive search procedures, such as beam search, do not directly apply to iterative denoising, where hypotheses are complete intermediate sequences rather than left-to-right prefixes. Furthermore, existing diffusion decoding procedures only provide limited control over the diversity and coverage of retained hypotheses. In this work, we introduce D5P4, a beam-style decoding method tailored to discrete diffusion models, which casts intermediate beam selection as MAP inference under a partitioned Determinantal Point Process. This yields a model-internal batch objective that balances quality and diversity without external verifiers. Experiments on open-ended generation, question answering, and mathematical reasoning show that D5P4 improves diversity and pass@$k$ coverage while matching or surpassing baseline quality and fidelity
Authors: Avrajit Ghosh, Bin Yu, Manfred Warmuth, Peter Bartlett
Abstract: One of the most common machine learning setups is logistic regression. In many classification models, including neural networks, the final prediction is obtained by applying a logistic link function to a linear score. In binary logistic regression, the feedback can be either soft labels, corresponding to the true conditional probability of the data (as in distillation), or sampled hard labels (taking values $\pm 1$). We point out a fundamental problem that arises even in a particularly favorable setting, where the goal is to learn a noise-free soft target of the form $\sigma(\mathbf{x}^{\top}\mathbf{w}^{\star})$. In the over-constrained case (i.e. the number of samples $n$ exceeds the input dimension $d$) with examples $(\mathbf{x}_i,\sigma(\mathbf{x}_i^{\top}\mathbf{w}^{\star}))$, it is sufficient to recover $\mathbf{w}^{\star}$ and hence achieve the Bayes risk. However, we prove that when the examples are labeled by hard labels $y_i$ sampled from the same conditional distribution $\sigma(\mathbf{x}_i^{\top}\mathbf{w}^{\star})$ and $\mathbf{w}^{\star}$ is $s$-sparse, then rotation-invariant algorithms are provably suboptimal: they incur an excess risk $\Omega\!\left(\frac{d-1}{n}\right)$, while there are simple non-rotation invariant algorithms with excess risk $O(\frac{s\log d}{n})$. The simplest rotation invariant algorithm is gradient descent on the logistic loss (with early stopping). A simple non-rotation-invariant algorithm for sparse targets that achieves the above upper bounds uses gradient descent on the weights $u_i,v_i$, where now the linear weight $w_i$ is reparameterized as $u_iv_i$.
Authors: Kelly Cui, Nikhil Prakash, Shoval Messica, Ayush Raina, David Bau, Antonio Torralba, Tamar Rott Shaham
Abstract: Many multimodal tasks, such as image captioning and visual question answering, require vision-language models (VLMs) to bind objects with their properties and spatial relations. Yet it remains unclear where and how such associations are computed within VLMs. In this work, we show that VLMs rely on two concurrent mechanisms to represent spatial variable binding. In the language model backbone, intermediate layers represent content-independent spatial relations on top of visual tokens corresponding to objects. However, this mechanism plays only a secondary role in shaping model predictions. Instead, the dominant source of spatial information originates in the vision encoder, whose representations encode the layout of objects and are directly exploited by the language model backbone. Notably, this spatial signal is distributed globally across visual tokens, extending beyond object regions into surrounding background areas. We show that enhancing these vision-derived spatial representations globally across all image tokens improves spatial variable binding performance across models of various sizes on complex natural images from the COCO datasets. Together, our results clarify how spatial variable binding is computed within VLMs and highlight the central role of vision encoders in enabling it.
Authors: John Ray B. Martinez
Abstract: Miscalibrated confidence scores are a practical obstacle to deploying AI in clinical settings. A model that is always overconfident offers no useful signal for deferral. We present a multi-agent framework that combines domain-specific specialist agents with Two-Phase Verification (Wu et al., 2024) and S-Score Weighted Fusion to improve both calibration and discrimination in medical multiple-choice question answering. Four specialist agents (respiratory, cardiology, neurology, gastroenterology) generate independent diagnoses using Qwen2.5-7B-Instruct. Each diagnosis undergoes a two-phase self-verification process that measures internal consistency and produces a Specialist Confidence Score (S-score). The S-scores drive a weighted fusion strategy that selects the final answer and calibrates the reported confidence. We evaluate on high-disagreement subsets of MedQA-USMLE and MedMCQA (100 and 250 questions). All results are specific to this filtered regime. On MedQA-250, the full system achieves ECE = 0.091 (74.4% reduction over the single-specialist baseline) and AUROC = 0.630 (+0.056) at 59.2% accuracy. Calibration gains of 49-74% hold across all four settings. Ablation analysis reveals that Two-Phase Verification drives ECE reduction while multi-agent reasoning drives AUROC improvement, suggesting that consistency checking and ensemble aggregation address different failure modes of LLM uncertainty. Whether the resulting confidence signal is sufficient to support clinical deferral decisions in practice remains a direction for future investigation.
Authors: Jiang Liu, John Martabano Landy, Yao Xuan, Swamy Muddu, Nhat Le, Munaf Sahaf, Luc Kien Hang, Rupinder Khandpour, Kevin De Angeli, Chang Yang, Shouyuan Chen, Shiblee Sadik, Anirudh Agrawal, Djordje Gligorijevic, Jingzheng Qin, Peggy Yao, Alireza Vahdatpour
Abstract: Modern computational advertising platforms typically rely on recommendation systems to predict user responses, such as click-through rates, conversion rates, and other optimization events. To support a wide variety of product surfaces and advertiser goals, these platforms frequently maintain an extensive ecosystem of machine learning (ML) models. However, operating at this scale creates significant development and efficiency challenges. Substantial engineering effort is required to regularly refresh ML models and propagate new techniques, which results in long latencies when deploying ML innovations across the ecosystem. We present a large-scale empirical study comparing model performance, efficiency, and ML technique propagation between a standardized model-building approach and independent per-model optimization in recommendation systems. To facilitate this standardization, we propose the Standard Model Template (SMT) -- a framework that generates high-performance models adaptable to diverse data distributions and optimization events. By utilizing standardized, composable ML model components, SMT reduces technique propagation complexity from $O(n \cdot 2^k)$ to $O(n + k)$ where $n$ is the number of models and $k$ the number of techniques. Evaluating an extensive suite of models over four global development cycles within Meta's production ads ranking ecosystem, our results demonstrate: (1) a 0.63% average improvement in cross-entropy at neutral serving capacity, (2) a 92% reduction in per-model iteration engineering time, and (3) a $6.3\times$ increase in technique-model pair adoption throughput. These findings challenge the conventional wisdom that diverse optimization goals inherently require diversified ML model design.
Authors: Chiheb Yaakoubi, Cosme Louart, Malik Tiomoko, Zhenyu Liao
Abstract: We study high-dimensional convex empirical risk minimization (ERM) under general non-Gaussian data designs. By heuristically extending the Convex Gaussian Min-Max Theorem (CGMT) to non-Gaussian settings, we derive an asymptotic min-max characterization of key statistics, enabling approximation of the mean $\mu_{\hat{\theta}}$ and covariance $C_{\hat{\theta}}$ of the ERM estimator $\hat{\theta}$. Specifically, under a concentration assumption on the data matrix and standard regularity conditions on the loss and regularizer, we show that for a test covariate $x$ independent of the training data, the projection $\hat{\theta}^\top x$ approximately follows the convolution of the generally non-Gaussian distribution of $\mu_{\hat{\theta}}^\top x$ with an independent centered Gaussian variable of variance $\mathrm{tr}(C_{\hat{\theta}} \mathbb{E}[xx^\top])$. This result clarifies the scope and limits of Gaussian universality for ERMs. Additionally, we prove that any $\mathcal{C}^2$ regularizer is asymptotically equivalent to a quadratic form determined solely by its Hessian at zero and gradient at $\mu_{\hat{\theta}}$. Numerical simulations across diverse losses and models are provided to validate our theoretical predictions and qualitative insights.
Authors: Raman Saparkhan, Majd Hawasly, Md Rizwan Parvez, Mohammad Raza
Abstract: Self-consistency (SC) is a popular technique for improving the reasoning accuracy of large language models by aggregating multiple sampled outputs, but it comes at a high computational cost due to extensive sampling. We introduce a hybrid ensembling approach that leverages the complementary strengths of two distinct modes of reasoning: Chain-of-Thought (CoT) and Program-of-Thought (PoT). We describe a general framework for combining these two forms of reasoning in self-consistency, as well as particular strategies for both full sampling and early-stopping. We show that CoT-PoT ensembling not only improves overall accuracy, but also drastically reduces the number of samples required for SC by a factor of 9.3x. In particular, the majority of tasks (78.6%) can be addressed with only two samples, which has not been possible with any prior SC methods.
Authors: Annan Fu, Hao Pei, Maryam Tanha
Abstract: Android malware detectors built with machine learning often suffer from temporal bias: models are trained and evaluated without respecting apps' actual release times, inflating accuracy and weakening real-world robustness. We address this by constructing a time-stamped dataset of benign and malicious Android apps and introducing a timestamp-verification procedure to ensure temporal accuracy. We then propose a detection framework that uses Bootstrap Your Own Latent (BYOL) for self-supervised pre-training to learn obfuscation-resilient representations, followed by supervised classification. Under time-aware evaluation, the method attains 98% accuracy and 89% F1. We further characterize malware behavior by analyzing true positives and false negatives using VirusTotal and the MITRE ATT&CK framework. To support reproducibility and further innovation, we release our dataset and source code.
Authors: Zeyu Yang, Qi Ma, Jason Chen, Anshumali Shrivastava
Abstract: Retrieval-augmented agents are increasingly the interface to large knowledge bases, yet most treat retrieval as a black box: they issue exploratory queries, inspect snippets, and reformulate until evidence emerges. This resembles how a newcomer searches an unfamiliar database rather than how an expert navigates it with strong priors about terminology and likely evidence, causing extra retrieval rounds, latency, and poor recall. We introduce \textit{Superintelligent Retrieval Agent} (SIRA), which casts \emph{superintelligence} in retrieval as compressing multi-round exploratory search into a single corpus-discriminative retrieval action. SIRA does not merely ask which terms are relevant; it asks which terms separate the desired evidence from corpus-level confusers. Offline, an LLM enriches each document with missing search vocabulary; at query time, it predicts evidence vocabulary the query omits; and corpus statistics serve as tool calls that filter terms that are absent, overly common, or unlikely to create retrieval margin. The final step is a single weighted BM25 call combining the query with the validated expansion. Across ten BEIR benchmarks, SIRA achieves the strongest average retrieval performance in our comparison, beating dense retrievers, learned sparse retrievers, and LLM search-agent baselines while using no relevance labels or retriever fine-tuning. On downstream QA, its retrieval-only answer coverage exceeds recent RL-trained agentic QA systems on NQ and HotpotQA. We also introduce \textbf{BrowseComp-Wikipedia}, a hard-search benchmark of 232 BrowseComp-derived queries over a 25,587,229-document Wikipedia index. Even without index-time enrichment, using only grounded Wikipedia categories, SIRA outperforms multi-round Perplexity agents at every budget, reaching 9.70% Recall@1, 15.27% Recall@10, and 36.14% Recall@100.
Authors: Hoang Nguyen, Xiaohao Xu, Xiaonan Huang
Abstract: Modern vision-based world models can represent observations as compact yet expressive latent manifolds, but fast goal-oriented planning in these spaces remains challenging. This raises a central question: when does a learned representation simplify control, rather than merely enabling prediction? We study this question in a pretrained LeWorldModel, whose latent geometry is regularized for smoothness and uniformity. Our key insight is that, under such geometry, planning can be amortized into a latent inverse-dynamics mapping instead of requiring online search. We therefore replace iterative planning with a lightweight Goal-Conditioned Inverse Dynamics Model (GC-IDM) that maps the current latent state, goal latent state, and remaining horizon directly to the next action. Empirically, across four benchmark environments spanning navigation, contact-rich manipulation, and continuous control, our controller matches or exceeds CEM in seven of eight environment-protocol settings while reducing per-decision cost by 100-130x. A broader sweep over test-time planners (CEM, MPPI, iCEM, and gradient-based methods) shows that this result is not specific to a particular optimizer. These findings suggest that much of the structure recovered by test-time planning is already locally encoded in the latent representation. More broadly, our results indicate that sufficiently structured latent spaces can shift part of the planning burden from online optimization to learned inference. Our code is publicly available at https://github.com/hdnndh/Latent-Geometry-Beyond-Search-Amortizing-Planning-in-World-Models .
URLs: https://github.com/hdnndh/Latent-Geometry-Beyond-Search-Amortizing-Planning-in-World-Models
Authors: Yesom Park, Eric Gelphman, Stanley Osher, Samy Wu Fung
Abstract: We propose an implicit neural formulation of optimal transport that eliminates adversarial min--max optimization and multi-network architectures commonly used in existing approaches. Our key idea is to parameterize a single potential in the Kantorovich dual and reformulate the associated c-transform as a proximal fixed-point problem. This yields a stable single-network framework in which dual feasibility is enforced exactly through proximal optimality conditions rather than adversarial training. Despite the inner fixed-point computation, gradients can be computed without differentiating through the fixed-point iterations, enabling efficient training without requiring implicit differentiation. We further establish convergence of stochastic gradient descent. The resulting framework is efficient, scalable, and broadly applicable: it simultaneously recovers forward and backward transport maps and naturally extends to class-conditional settings. Experiments on high-dimensional Gaussian benchmarks, physical datasets, and image translation tasks demonstrate strong transport accuracy together with improved training stability and favorable computational and memory efficiency.
Authors: WenBin Yan
Abstract: Trotter Suzuki product formulas are the standard route to Hamiltonian evolution on noisy intermediate-scale quantum (\NISQ{}) hardware, but their accuracy depends on three coupled choices: term grouping, product-formula order, and time-step allocation. Grouping and order are discrete, which makes direct gradient optimization infeasible and forces existing compilers to rely on static heuristics. We describe P-GONE, a method that combines a conditional diffusion model (D3PM + DDPM), a graph neural network (\GNN{}) encoder, and closed-loop REINFORCE fine-tuning to jointly learn grouping, order, and time-step optimization over a mixed discrete-continuous space. Under fidelity-matched conditions ($F \geq 0.95$), the method achieves circuit depth 86 versus 1673 for Qiskit fourth-order (ungrouped, Suzuki-4), about $19.4\times$ compression, and 141 for Paulihedral (first-order Trotter), about $1.6\times$ compression. At $T=0.90$ the method also beats the Qiskit group-commuting teacher (65 vs 103, $1.6\times$ compression), though at $T=0.95$ the teacher still leads -- a stratified pattern that points toward fidelity-aware fine-tuning. Under a standard depolarizing noise model, the method achieves noisy fidelity roughly $2\times$ the Qiskit fourth-order baseline (0.743 vs 0.380). Ablation shows a clear hierarchy: order learning $>$ time allocation $>$ grouping. Best-of-N sampling ($N=32$ is a practical sweet spot) and CFG guidance give flexible fidelity-depth trade-offs at inference. The method works well on structured Hamiltonians (TFIM, Heisenberg), but random Pauli Hamiltonians fail entirely at $T \geq 0.95$ -- a boundary that defines where the method applies.
Authors: Akshay Manglik, Apaar Shanker, Kaustubh Deshpande, Jason Qin, Yash Maurya, Veronica Chatrath, Vijay S. Kalmath, Levi Lentz, Yuan Xue
Abstract: Diagnosing failures in LLM agents remains largely manual. Practitioners inspect a small subset of execution traces, form ad-hoc hypotheses, and iterate. This process misses patterns that only emerge across trace populations and does not scale to production corpora where individual traces span tens of thousands of tokens. We formalize the problem of corpus-level trace diagnostics. Given a corpus of execution traces, the goal is to produce grounded natural-language insights that characterize systematic behavioral patterns across trace groups, each linked to supporting evidence. We present the Insights Generator (IG), a multi-agent system that answers diagnostic questions by proposing and testing hypotheses across the trace corpus to produce an evidence-backed insights report. We evaluate IG across qualitative and objective dimensions, spanning rubric-based report assessment and downstream performance improvements achieved by implementing IG insights. Human experts using IG reports improve scaffold performance by 30.4pp over the unmodified baseline scaffold, and coding agents leveraging IG-derived insights show consistent and stable gains. Across benchmarks, IG's scout-investigator architecture produces findings comparable in detection coverage to competing approaches, while domain experts rated IG reports as leading depth and evidence quality.
Authors: Qi He, Huan Chen, Ya Guo, Huijia Zhu, Yi R. Fung, Baojian Zhou
Abstract: Policy loss estimation remains a fundamental and long-standing challenge in reinforcement learning (RL) for diffusion language models (DLMs). We introduce Reinforcement Learning from Denoising Feedback (RLDF), a novel training paradigm that leverages feedback obtained from rollout and training processes to facilitate accurate and efficient policy loss estimation. To balance the trade-off between computational efficiency and estimation effectiveness, RLDF optimizes the model toward the clipped clean state from intermediate noisy states, combined with weighted timestep sampling over denoising timesteps. Extensive experiments demonstrate that RLDF achieves consistent and substantial improvements in both performance and generalizability across two representative DLM architectures, LLaDA and Dream, on multiple reasoning benchmarks. Our work lays a principled foundation for scalable reinforcement learning in diffusion language models. We build Drift, a training framework for DLMs, available at https://github.com/ant-research/Drift.
Authors: Moyi Tian, Daniel A. Messenger, Vanja Dukic, Nancy Rodr\'iguez, David M. Bortz
Abstract: Social systems consist of networks of individuals who influence one another through social interactions. Studying how processes evolve on these networks can help us better understand patterns of social behavior. We study a system that couples online and offline social activity and investigate how to learn effective models directly from data using Weak Form Sparse Identification of Nonlinear Dynamics (WSINDy), a method for discovering governing equations. We assess learning performance using data generated by a mean-field approximation model of a stochastic interaction process on networks and test how accurately the system can be recovered under different noise levels. Our results show that using more trajectories improves accuracy when noise is high, but only a small number of additional trajectories is needed to gain most of the benefit, with little improvement beyond that. We also learn effective ODE models from averaged stochastic data on networks. When traditional mean-field approximations fail, identifying continuum ODEs directly from stochastic processes yields efficient models that better match the data and provide deeper insight into the underlying dynamics.
Authors: Naci Cankaya
Abstract: Verifying claims about AI workloads is a prerequisite for credible AI governance of covert adversaries (who comply with monitoring only when detection likelihood is high), yet the apparent non-determinism of GPU floating-point arithmetic forces auditors to accept approximate output matches. Covert adversaries can exploit unverifiable degrees of freedom in monitored computation. Attack vectors include steganography, unreported modification of inference software, and covert computation via unreported batch elements. Empirically, we analyze how modern inference engines (vLLM, HF transformers) produce deterministic but non-invariant outputs, without needing to set performance-compromising determinism flags, if the right information is available for re-computation and no atomic functions are called in the backend. We demonstrate that such bitwise-precise re-computation does not require access to identical hardware, via a software-only emulation of LLM inference across multiple NVIDIA GPU variants. Thus, accumulated rounding errors can be an auditable signature of the software and hardware setup used for inference, instead of a constraint on verifiability.
Authors: Peng Chen, Hailiang Zhao, Xueyan Tang, Yixuan Wang, Shuiguang Deng
Abstract: Learning-augmented paging has been extensively studied in recent years. A key advantage over naive ML-based approaches is \emph{bounded robustness}, which guarantees worst-case performance even when predictions are inaccurate, making these algorithms valuable for real-world systems. Prior work achieves robustness bounds of $2H_k + O(1)$ in the randomized setting, leaving a gap to the optimal competitive ratio $H_k$. In this paper, we study how to close this gap. We begin by reviewing online optimality and proving a new property of the latest $H_k$-competitive algorithm, which facilitates our analysis in the learning-augmented setting. Then, we review existing learning-augmented paging algorithms and introduce a unifying primitive, the \emph{relative prediction budget}, which captures the essence of establishing robustness and reveals that prior algorithms either overuse or underutilize predictions. Guided by the above analysis, we develop a new framework that achieves the best-possible robustness up to an additive constant for learning-augmented paging: $H_k + O(1)$. Experiments further demonstrate strong practical performance.
Authors: H. Nazim Bicer, J. Nicholas Laneman
Abstract: Radio frequency spectrum awareness requires the ability to detect, localize, and characterize emitters in dense and contested wireless environments. In this work, we propose a task-oriented distributed compression framework for joint multi-emitter localization and characterization using spatially distributed receivers. Each receiver observes a short window of complex IQ samples, converts the observation to a time--frequency representation, and encodes it into a compact latent vector. A central fusion decoder combines the receiver latents to estimate an unordered set of active emitters, including their locations, center-frequency offsets, occupied bandwidths, and waveform families. A permutation-invariant training objective is used to handle the arbitrary ordering of emitters and predictions. Experiments on synthetic multi-emitter scenes with spectral overlap show that even extremely compact receiver-side representations can preserve useful information for emitter counting and waveform-family estimation. However, accurate localization and spectral-parameter regression require larger latent dimensions. Increasing the receiver latent dimension from $d_{\mathrm{rx}}=1$ to $d_{\mathrm{rx}}=16$ provides the largest improvement, while further increasing to $d_{\mathrm{rx}}=64$ gives smaller gains. These results demonstrate the potential of learned task-oriented compression for communication-efficient distributed spectrum awareness.
Authors: Franz Nowak, Ryan Cotterell, Reda Boumasmoud
Abstract: What formal languages can a recurrent neural language model recognize? Formal results in the literature conflict: some authors report Turing-completeness, while others show equivalence to regular languages. The reason for this discrepancy is that the underlying arithmetic model differs. The paper develops a unified algebraic account of the expressivity of recurrent neural networks, starting with a formal account of various arithmetic models. This account reduces expressivity to an algebraic question, e.g., whether a network's syntactic monoid divides a certain wreath product. As a case study, the paper revisits diagonal state-space models: the same architecture cannot implement an even-modulus counter once floating-point recurrences are enforced, yet realizes every even-modulus counter under unsigned-integer quantization.
Authors: Henry Kasumba, Ronald Katende
Abstract: Classical finite-difference solvers remain reliable tools for partial differential equations, but their efficiency depends on where mesh resolution is placed. Uniform refinement can waste degrees of freedom when solution difficulty is localised near sharp gradients, fronts, oscillations, or constraint-sensitive regions. This paper studies a hybrid strategy in which a physics-informed neural network (PINN) is used not as the final solver, but as an off-grid residual probe for adaptive mesh refinement. The PINN residual is sampled over the domain, converted into cellwise indicators, and used to guide refinement before the final approximation is computed by a finite-difference solver. The method is evaluated on three benchmarks. The main full-solver validation uses the one-dimensional viscous Burgers equation with a nonuniform finite-difference solve on the adapted meshes. PINN-threshold refinement attains final relative $L^2$ error $0.021067$ with $60$ degrees of freedom, compared with $0.022617$ for uniform refinement with $192$ degrees of freedom. At matched mesh size, PINN-threshold reduces the error by about $67.5\%$. PINN-D\"orfler refinement gives similar performance, with error $0.021264$ using $58$ degrees of freedom. A gradient indicator remains slightly more accurate, so the result supports usefulness rather than universal superiority. Manufactured 2D and 3D proxy tests, based on a nonlinear Schr\"odinger equation and an incompressible Navier--Stokes system, show that PINN residuals can organise structured refinement and improve over random refinement, although they do not consistently outperform gradient or uniform baselines. The results support PINN-guided AMR as a residual-indicator strategy for transferring physics-informed diagnostic information into finite-difference mesh adaptation while preserving the classical solver as the final approximation engine.
Authors: Xinming Wei, Chao Jin, Tuo Dai, Yinmin Zhong, Shan Yu, Chengxu Yang, Bingyang Wu, Zili Zhang, Jing Mai, Qianchao Zhu, Zhouyang Li, Yuliang Liu, Guojie Luo
Abstract: Large-scale expert parallelism (EP) is becoming pivotal for training and serving frontier MoE models, but it also amplifies device-level expert load imbalance into compute stragglers, token all-to-all bottlenecks, and activation-memory spikes. Existing balancers redistribute experts periodically based on historical load, which becomes unreliable for production deployments with non-stationary load patterns. We present UltraEP, the first exact-load, real-time balancer for large-EP MoE training and serving prefill on rack-scale nodes (RSNs). Built upon the extended scale-up connectivity of RSNs, UltraEP rebalances every microbatch and layer on critical paths, which requires nontrivial co-design of plan solving and expert replication communication to minimize exposed overhead. To this end, UltraEP eagerly reacts to post-gating load with efficient quota-driven planning, and executes the resulting irregular expert-state transfers with RSN-native persistent tile streaming and relay-based fan-out mitigation. Averaged across MoE models from 106B to 671B parameters in training and prefill, UltraEP achieves 94.3% of the force-balanced ideal throughput, delivering 1.49$\times$ improvement over non-balancing, while reducing the final inter-rank imbalance from 1.30$-$4.01 to 1.01$-$1.04. Additionally, we validate UltraEP's scalability and robustness in production MoE training with 2560 GPUs.
Authors: Daria Ledneva, Mikhail Nuridinov, Denis Kuznetsov
Abstract: Progress in genomic foundation models is difficult to assess due to fragmented benchmarks, incompatible evaluation protocols, and task-specific reporting. As a result, claims of superiority or generality across models are often not directly comparable. We introduce GENEB, a large-scale diagnostic benchmark that evaluates frozen representations from 40 genomic foundation models across 100 tasks spanning 13 functional categories under a unified probing-based protocol, including few-shot regimes. GENEB enables controlled comparison across model scale, architecture, tokenization, and pretraining data while explicitly exposing task-level trade-offs. Our analysis shows that aggregate leaderboards are unstable: model rankings vary sharply across task categories, scale provides only modest and inconsistent gains, and architectural and pretraining alignment frequently outweigh parameter count. These results highlight limitations of current evaluation practices and position GENEB as a reference framework for principled comparison and category-aware model selection in genomic machine learning.
Authors: Suraj Babu Thimma Krishnaram, Yibo Hu, Karthikeyan Saravanan
Abstract: Hate moderation is often evaluated as classification on clean English inputs, but deployed systems must route content to actions such as ALLOW, FLAG, or REVIEW. We study how this workflow changes under code-mixed inputs using a paired evaluation setting where the same underlying content is expressed as clean English and Tamil-English code-mix. Under thresholds tuned on clean English development data, code-mixed inputs produce substantial action instability, with a paired clean- to-code-mix decision flip rate of 0.265. The main workflow effects are increased review burden and increased false-flagging of non-hateful content: review rate rises from 0.138 to 0.297 and non-hate false-flag rate rises from 0.069 to 0.104. Tamil-only inputs show stronger degradation overall, suggesting a broader language-coverage limitation rather than the same code-mixed instability pattern. A simple disagreement-based deferral rule reduces automatic errors on stressed inputs, but only by increasing review load. These results show that workflow-level evaluation reveals moderation failures that standard classification summaries can miss.
Authors: Fangbo Tu, Junhua Zhao, Chi Liu, Xin Chen, Haifeng Wu, Jian Wan, Srinivasan Manoharan
Abstract: Demand for low-precision inference, including NVFP4-based approaches, has grown as large language models are increasingly deployed in latency and cost constrained production environments. Quantization-aware distillation (QAD) helps recover accuracy lost under low bit quantization by training a quantized student to match the output distribution of a frozen higher precision teacher via a KL-divergence loss. In this work, we first provide a representation level diagnosis of QAD: output matching alone can mask internal degradation, because many intermediate activation geometries can yield similar teacher-aligned logits. Using CKA, we show that KL-only QAD can reduce layerwise representational similarity relative to the BF16 teacher, with especially severe drift in RL-post-trained models. This drift correlates with downstream bottlenecks on reasoning and coding tasks, suggesting that low bit recovery requires preserving internal geometry rather than matching outputs alone. Motivated by this finding, we propose \textbf{CKA-QAD}, a CKA-guided representational alignment method for NVFP4 QAD and low bit LLM accuracy recovery. The method adds a lightweight regularizer that preserves internal representational geometry during distillation by aligning layerwise Gram matrices through CKA. Across Nemotron 3 Nano and Qwen3-4B-Thinking-2507, CKA-QAD substantially improves representational alignment and improves downstream reasoning and coding accuracy with modest training overhead. Our findings position CKA-guided representational alignment as a practical complement to output matching for quantized LLM recovery.
Authors: Lucas D. Konrad, Nikolas Kuschnig
Abstract: Identifying most influential sets (MIS) - size-$k$ subsets whose removal maximally changes a target estimand - is typically infeasible because it requires searching over $\binom{n}{k}$ subsets. For estimands with linear-fractional leave-set-out effects, we show that MIS selection reduces to a one-parameter sequence of top-$k$ problems. Dinkelbach's method yields an algorithm with $\mathcal{O}(n)$ cost per iteration and finite termination. For fixed residualized inputs, the algorithm returns a globally optimal set for the univariate ratio objective, including the oracle-residualized partial linear model. With estimated nuisance functions, uniform denominator and generated-score stability imply approximation to the first-order oracle orthogonal-score objective; exact set recovery follows under a separation condition. Simulations and applications show that the method recovers exact MIS that were previously computationally inaccessible.
Authors: Ziad Kobeissi (L2S), \'Elo\"ise Berthier (U2IS)
Abstract: In this paper, we study the finite-time behavior of the TD(0) temporal-difference method with linear function approximation (LFA). We consider on-policy independent and identically distributed (i.i.d.) samples, a constant learning step, and the Polyak-Juditsky averaging method. We establish a new convergence rate, for the Mean-Square Error (MSE) on the approximated function, that is (i) fast in the sense that it admits an optimal dependency in the number of iterations k (i.e., of order 1/k), (ii) robust to ill-conditioning: it only depends on an initial error and modelindependent constants and (iii) sharp up to a multiplicative constant lower than 11. In particular, it does not depend on the smallest eigenvalue of the uncentered covariance matrix of the linear parametrization, unlike all pre-existing O(1/k) rates in the TD(0) literature. We also introduce PCTD(0), a variant of TD(0), which benefits from better convergence properties under an additional assumption of strong mixing on the Markov Chain.
Authors: Yanqing Luo, Julius Hense, Niklas Preni{\ss}l, Andreas Mock, Klaus-Robert M\"uller, Thomas Schnake, Mina Jamshidi Idaji
Abstract: Explanations of multiple instance learning (MIL) models are widely used for validation and discovery in digital histopathology. Existing methods primarily rely on heatmaps that highlight influential regions but do not explain how evidence from different tissue regions is combined to produce a prediction. This limits interpretability, especially when decisions depend on interactions between tissue features. We introduce Symbolic explainable MIL (Symb-xMIL), a post-hoc explanation framework that quantifies how a MIL model's behavior aligns with human-readable decision rules, expressed as logical relationships (e.g., AND, OR, NOT) between input features. These alignment scores reveal semantic patterns underlying the model's predictions. We evaluate Symb-xMIL on synthetic and real-world histopathology datasets. On synthetic MIL data, Symb-xMIL reliably recovers ground-truth logical rules. In a clinical tumor detection task, the best-aligned rules uncover heterogeneous decision patterns and expose hidden model errors. On an HPV-prediction task on TCGA-HNSCC, a cohort of head and neck cancer, our framework refines patient survival stratification beyond HPV status with potential clinical relevance. Overall, Symb-xMIL extends MIL explainability beyond visual attribution toward structured, rule-based reasoning, enabling more transparent and semantically grounded interpretation of model predictions.