Machine Learning · Cross-listed from stat.ML
Information-Geometric Forward Policy Training in GFlowNets
Yordan Raykov and Rodrigo Veiga
Generative Flow Networks (GFlowNets) have emerged as a flexible framework for amortised inference over discrete and mixed discrete-continuous objects, requiring only an unnormalised target density specified through a reward. In this work, we formulate forward-policy training in GFlowNets through the information geometry of the induced trajectory sampler. Treating the forward policy as an induced trajectory sampler, we show that its intrinsic first-order geometry is given by the Fisher-Rao metric of the trajectory family, and that the associated natural gradient provides the canonical local update whenever the corresponding Fisher information is computable or accurately approximable. We derive an exact decomposition of the trajectory Fisher into per-step conditional second moments, which clarifies when temporal score interactions vanish and when dense couplings remain under shared parameterisation. This leads to three computational regimes: settings with tractable exact Fisher information, settings where Monte Carlo
estimators of the expected Fisher are sufficient, and structure-exploitable settings in which target locality or factorisation yields accurate approximations of the Fisher expectation. In the latter case, graphical-model tools such as exact marginalisation, separator methods, and belief propagation provide principled surrogates for natural-gradient updates. The resulting framework turns target structure into optimisation geometry and yields a tractable route to structure-aware forward-policy training in GFlowNets. We illustrate the framework empirically through examples comparing convergence and exploration behaviour under Riemannian and Euclidean optimisation.
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Machine Learning
Muon Meets Mamba: Spectral Optimization for State Space Models
Arslan Battalov, Karim Kramin, Alexander Markotenko et al. (+1 more)
Muon is a recent optimizer that orthogonalizes the update to each weight
matrix with a Newton-Schulz iteration, which performs steepest descent under the spectral norm. Almost all the evidence for it comes from
Transformer models, and its behavior on state-space models is largely unreported. We compare
Muon with AdamW on Mamba-2 130M under a controlled protocol that varies only which weight groups are trained with
Muon. The benefit is localized.
Muon on the output projection alone beats
Muon on the input projection or on both. The advantage is mainly one of
token efficiency. It holds on two corpora and two
token budgets, and persists when training continues well past the compute-optimal point. Conditioning does not explain the gain.
Muon lowers the condition number of whichever projection it trains, but the better-conditioned input projection is not the one that helps.
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All authors Arslan Battalov, Karim Kramin, Alexander Markotenko, Sofia Sinitsina
Machine Learning · Cross-listed from cs.CL
Logic Before Language: Pre-pretraining on Formal Derivations Fosters Skill Acquisition and Compressibility
Jo-Ku Cheng, Nikolaos Aletras and Marco Valentino
Pre-pretraining
language models (LMs) on symbolic data can accelerate and improve natural
language acquisition. However, existing pre-pretraining tasks, such as Dyck and procedural
algorithms, rely on narrow primitives that fail to capture the expressive capacity of natural
language. Moreover, prior studies remain restricted to relatively small
token budgets, offering limited insight into skill emergence and representational dynamics. To address these limitations, we propose logic pre-pretraining (Logic-PPT) as a principled initialization strategy, leveraging formal derivations to impart richer structural and linguistic biases. Formal derivations require abstract mechanisms that are central to natural
language, simultaneously binding variables, connecting quantifiers and relational dependencies, and composing predicate-argument structures over long contexts. Scaling our evaluation to a 100B-
token regime, logic pre-pretraining substantially accelerates skill acquisition in LMs, achieving 80% accuracy on linguistic tasks with 36B fewer
tokens than standard initialization, and outperforming alternative pre-pretraining baselines. Mechanistically, formal derivations induce persistent structural reorganization, distinctively characterized by a lower-rank, spectrally concentrated representation space. Crucially, we show that this internal geometry enables improved model compressibility via
pruning, matching the dense baseline performance even at $\approx$33% sparsity.
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Machine Learning
Latent Reward Registers for Diffusion Preference Alignment
Yuanshen Guan, Zipeng Feng, Chengru Song et al. (+2 more)
Aligning
diffusion models with human preferences usually relies on a sparse terminal reward evaluated on the final generated samples, which creates a severe temporal credit-assignment problem across the denoising process. We propose Latent Reward Registers, a mechanism that estimates terminal preference directly from intermediate noisy latents. Learnable, position-free register
tokens are appended as an auxiliary read path to a frozen
Diffusion Transformer (DiT), extracting preference signals without altering the generator's hidden states or velocity field. The resulting dense, differentiable reward field spans the full denoising trajectory and supports two
alignment strategies. For training, Reward-Gradient On-Policy
Distillation (RG-OPD) converts this dense reward field into per-step targets at states visited by the current generator, replacing rollout-intensive policy gradients with direct on-policy
distillation. For inference, Reward-Guided Sampling (RGS) steers trajectories with magnitude-matched reward-gradient corrections and no parameter updates. Empirically, at high noise levels (t=0.8) the registers reach the highest pairwise accuracy among the evaluated latent reward models. RG-OPD outperforms online reinforcement learning baselines while reducing GPU hours by up to 33x. RGS achieves significant reward improvement with a favorable reward-quality balance against training-free baselines. Code and weights are to be available at https://github.com/Guanys-dar/latent-reward-register
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All authors Yuanshen Guan, Zipeng Feng, Chengru Song, Zhiwei Xiong, Peiqin Sun
Machine Learning · Cross-listed from stat.ML
Robust Low-Tubal-Rank Tensor Completion under Cross-Concentrated Sampling
HanQin Cai, Longxiu Huang, Jing Qin et al. (+1 more)
Tensor cross-concentrated sampling (t-CCS) bridges entrywise sampling and t-CUR slice-wise sampling by observing entries only within selected horizontal and lateral slices. Existing t-CCS completion methods, however, assume that the observations are free of gross corruption. In this work, we study robust recovery of a third-order low-tubal-rank tensor from partial t-CCS observations contaminated by sparse, arbitrarily large outliers. We propose Robust Iterative t-CUR (R-ItCUR), a tensor-native
algorithm that partitions the sampled tensor cross into two exterior blocks and an intersection block, applies adaptive blockwise Welsch correction for outlier suppression, and updates the low-rank component through projected blockwise gradient descent. By operating directly on the sampled cross, R-ItCUR avoids reconstructing the full tensor throughout the iterations, resulting in substantial
memory and computational savings. Experiments on synthetic tensors, cardiac MRI data, and three-dimensional seismic data demonstrate accurate recovery and strong robustness to sparse gross corruptions. The results further highlight the importance of explicitly exploiting the cross-concentrated sampling structure in robust tensor completion.
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All authors HanQin Cai, Longxiu Huang, Jing Qin, Chengyue Wu
Machine Learning
A Physics-Flavored Transformer Network for Parametrizing Contraction Dynamics of Engineered Skeletal Muscle Tissues
Mattias Luber and Timo Betz
Engineered Skeletal Muscle Tissues (ESMs) have become a key structure for biomedical disease modeling and pharmacological screening, yet their functional characterization often relies on simplistic metrics like peak force, discarding critical kinetic information. This is partially due to the high level of mathematical complexity which mechanistic models introduce to capture these dynamics. Hence, exactly the complexity prevents scalable application and widespread adaptation in the field. Here we present a Physics-Flavored Neural Network (PFNN) that automates the kinetic phenotyping of ESMs. Our architecture integrates a stretched-exponential physical model into a CNN-
Transformer, enabling the extraction of physically meaningful parameters directly from force-time profiles. To address the scarcity of labeled biological data, we employ a hybrid training paradigm: the model develops a "physical intuition" on synthetic data before undergoing unsupervised self-
alignment on unlabeled real-world measurements. Our results demonstrate that this physics-flavored approach achieves high-fidelity parameterization across diverse contractile phenotypes and
cell lines, including Duchenne Muscular Dystrophy models. Our scalable, self-improving pipeline bridges the gap between idealized biophysics and noisy in vitro data, providing a robust tool for high-throughput biophysical research.
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Machine Learning
PRISM: Powerful Time Series to Image (TS2I) Representations for Multivariate Anomaly Detection
Mateusz Smendowski, Kamil Faber, Piotr Nawrocki et al. (+2 more)
Time series anomaly detection (TSAD) underpins applications in predictive maintenance, finance, and cloud computing, however performance remains sensitive to representation choices, especially in multivariate settings. While transforming time series into images has shown success in
forecasting and classification, it remains unclear how multivariate, high-dimensional series should be mapped to multi-channel images and whether
vision backbones can match time-domain baselines in TSAD. We introduce PRISM, a plug-and-play meta-workflow enabling systematic construction and evaluation of image-based representations for multivariate TSAD. Our evaluation spanning over 7,000 experiments shows that well-designed PRISM configurations are competitive with 24 time-domain baselines, achieving the best VUS-PR on 10 of 14
datasets, with an average improvement of 41% over the best competing method on those
datasets. Further, we identify channelization - how the channel dimension of multi-channel images is constructed - as a critical and previously understudied design dimension, and introduce MSM, a novel statistics-based scheme achieving 11-27% gains over PCA-based alternatives. Finally, ImageNet-pretrained encoders transfer effectively to TSAD, with frozen encoders retaining 92% of fine-tuned performance while training 1.8 times faster. Our code is available at: https://github.com/Smendowski/PRISM.
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All authors Mateusz Smendowski, Kamil Faber, Piotr Nawrocki, Nathalie Japkowicz, Roberto Corizzo
Machine Learning
Trajectory inference via Acceleration Matching
Bartolo Dazzini, Giovanni Conforti, Alain Durmus et al. (+1 more)
Trajectory inference is a fundamental problem in many scientific domains: given a collection of unpaired snapshots of observations at discrete time points, the goal is to generate smooth trajectories that best resemble and interpolate the data. Existing
algorithms exhibit computational challenges: they either rely on preprocessing subroutines to enforce smoothness or on simulation-based training objectives, both of which can be expensive. In order to overcome these limitations, we propose a new
algorithm called Acceleration Matching (AM). Our approach consists of lifting the original interpolation problem to phase space and then regressing onto an explicit conditional acceleration field that induces random, smooth trajectories that agree with the prescribed marginals. Importantly, our resulting training
algorithm only requires positional data, avoids trajectory simulation during training, and is devoid of expensive preprocessing. We provide ample numerical evidence suggesting that AM is competitive with or superior to existing
algorithms on several
benchmark problems from the existing literature.
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All authors Bartolo Dazzini, Giovanni Conforti, Alain Durmus, Aram-Alexandre Pooladian
Machine Learning
Sparse Weight Decomposition for Efficient Circuit Extraction
Chuanhao Yan, Xuhan Huang, Yawen Duan et al. (+4 more)
Dense pretrained
transformers do not naturally expose interpretable units for
circuit extraction. Existing approaches obtain such units by learning auxiliary sparse representations or training sparse models, incurring substantial additional computation while potentially introducing a fidelity gap between the representation being analyzed and the original pretrained model. We propose Sparse Weight Decomposition (SWD), which reparameterizes pretrained linear projections by factorizing each weight
matrix into two sparse factors whose shared intermediate coordinates serve as individually addressable
circuit units. Without training a separate replacement network, this parametric representation supports the same scoring, selection, and ablation
circuit extraction workflow used for methods that learn sparse features. Across single-
matrix replacements, SWD matches the held-out fidelity achieved by Transcoder and other strong baselines while using less than 1% of the data that those baselines use to train their replacements. For matched replacement fidelity, SWD reaches the same
circuit sufficiency and necessity targets with fewer active read/write edges and selected units across tasks on GPT-2, Qwen2.5, and Qwen3.5-27B. We further show that SWD remains effective for full-model replacement of all
attention and MLP weight
matrices after fine-tuning the nonzero factor values. Finally, SWD also features a zero-data variant, allowing broader use of mechanistic interpretability analysis (e.g., per-step analysis).
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All authors Chuanhao Yan, Xuhan Huang, Yawen Duan, Zhenfei Yin, Hang Zhao, Bryan Dai, Jie Fu
Machine Learning · Cross-listed from cs.AI
Socially Grounded Agentic AI: Coordinating Plural Perspectives through Social Theory
Matt Ratto, Abhishek Moturu and Daniel Silver
As AI systems are deployed across increasingly diverse social contexts,
alignment can no longer be framed as the optimization of a single, unified set of values. Instead, systems must be able to recognize, represent, and respond to multiple legitimate perspectives. This has led to growing interest in pluralistic
alignment, which seeks to move beyond one-size-fits-all models of appropriate behaviour. However, current approaches often lack a clear account of how values are socially organized, contested, and coordinated in practice. In this paper, we argue that social theory provides essential conceptual and design resources for addressing these challenges. Drawing on established traditions in sociology, we show how perspectives can be understood as structured by roles, shaped through interaction, and distributed across fields of power and expertise. We translate these insights into concrete implications for AI system design, including role-based representations, structured coordination among perspectives, and context-sensitive evaluation. For agentic systems, this requires aligning not only final outputs, but also the role activations, deliberative traces, aggregation rules, and feedback loops through which those outputs are produced. Our contribution is to reposition pluralistic
alignment as a problem of socially grounded coordination rather than output diversification. We outline a design space for systems that engage multiple perspectives in structured and accountable ways, and we identify directions for future work to implement and empirically evaluate these approaches in real-world settings.
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Machine Learning
Cross-Model KV Cache Transfer in LLM Families: A Closed-Form Linear Mapping for Prefill Reuse
Taekyung Heo, Rasoul Shafipour, Ritchie Zhao et al. (+6 more)
Production deployments often swap between different-sized models in a family for cost-quality cascading, mid-conversation switching, and routing, and each swap forces the receiver to repay the prefill from scratch. We propose cross-model KV cache transfer, where the receiver reuses the source's KV cache, skipping prefill. We find that cross-model KV has substantial linear structure across matched-KV pairs, where source and target share KV head count and per-head dimension. On Qwen3 14B->32B, one source layer explains 56% of variance in the target's keys and 32% in values, rising to 79% and 65% with multiple source layers. Building on this, we design a closed-form ridge mapper that operates per head and proceeds in three steps. First, for each target layer we select the top-k most predictive source layers and concatenate their KV as input. Second, we strip RoPE from the keys before mapping, so the fit is position-free and reusable across context lengths. Third, we fit ridge regression on a small calibration set of 500 FineWeb-Edu sequences of 1,024
tokens each. Surprisingly, across six pairs in three families, this linear mapper retains 73-98% of the receiver's standalone-prefill accuracy on four pairs, while two degrade sharply. A nonlinear MLP recovers up to +37 pp HellaSwag retention on the failures. The mapper runs 2.7-25x faster than re-prefill and remains stable across multi-turn handoff, making cross-model KV cache transfer practical.
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All authors Taekyung Heo, Rasoul Shafipour, Ritchie Zhao, Maximilian Golub, Mohammad Mahdi Kamani, Ritika Borkar, Makesh Tarun Chandran, Pantea Zardoshti, Bita Darvish Rouhani
Machine Learning
Omega-S: A Functional Resilience Index for LLM Fine-Tuning
Alberto Acedo
Fine-tuning a large
language model on new data degrades what it previously learned. We present Omega-S, a drop-in penalty computed from the weight
matrix alone: it needs no previous-task data, no Fisher
matrix and no stored copy of the old weights. It is three lines in an existing training loop and adds under 4% to the cost of a step. Retention. On Llama-3-8B with LoRA, fine-tuned from code to prose and measured by HumanEval over ten seeds, Omega-S retains more of the original capability than no regularisation on 9 of 10 seeds (0.173 -> 0.238 absolute pass@1; sign test one-sided p=0.011, Wilcoxon p=0.006), as a retention ratio, 62.9% -> 84.1%. It also beats tuned weight decay on 10 of 10 seeds (p=0.002) and tuned EWC on 8 of 10 (p=0.014), every arm re-measured in the same session. Mechanism, measured rather than asserted. Omega-S is topological by construction, its objective built from Tr(A^3), but we measured which of its four factors actually moves and three do not: their elasticity with respect to the weights is at or below 1e-4, against 9e-3 for the degree-variance term. As implemented, the composite reduces to a penalty on the variance of node degrees, which means row magnitude in square modules and directional
alignment in non-square ones. We report this because a method whose name promises one thing and whose gradient does another should say so. We also enumerate the open design choices, including a contrast-preserving construction that does what it was designed to do and makes retention worse on all ten seeds. Repeating an identical configuration, same seed and same hardware, gives a standard deviation of 0.104 in retention ratio. We have not found this quantified for low-rank fine-tuning of
language models, and it bounds every seed-paired comparison in this literature, ours included. Code, per-seed results and the full record of negative results are available.
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Machine Learning
Operationally Feasible Synthetic Power-Grid Scenarios via Learning the AC-Operable Joint Distribution
Chenhan Xiao, Xinyu He, Haoran Li et al. (+2 more)
Synthetic power-grid scenarios are essential for planning, resilience assessment, contingency analysis, and data-driven power-system applications. Recent synthetic grid generation methods have improved structural realism and operational feasibility by incorporating engineering knowledge through post-generation validation, optimization, or physics-aware generation. However, generated scenarios may still exhibit low AC feasibility and robustness, limiting their practical value for downstream power-system studies. This paper proposes a feasibility-aware distribution-learning framework that learns the AC-operable joint distribution of network
topology, branch electrical parameters, and time-varying load profiles. Instead of enforcing feasibility after generation, the proposed framework incorporates AC power-flow convergence and operational constraints into hierarchical
diffusion-based distribution learning. This enables the generator itself to produce operationally feasible grid scenarios through efficient
diffusion sampling. The hierarchical architecture decomposes the high-dimensional generation task into three engineering-motivated stages:
topology and bus-attribute generation, branch-parameter generation conditioned on the generated structure, and load-profile generation conditioned on both network structure and electrical characteristics. Experiments on
benchmark systems demonstrate that the proposed framework significantly improves operational feasibility and contingency robustness while maintaining strong statistical fidelity and eliminating optimization-based post-processing.
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All authors Chenhan Xiao, Xinyu He, Haoran Li, Hanghang Tong, Yang Weng
Machine Learning
Enhancing VLM Reward Models Through Structure-Aware Fine-Tuning
Pyrros Koussios, Chenhao Li, Xin Chen et al. (+1 more)
Designing effective reward functions remains a major bottleneck in Reinforcement Learning (RL). Recent work uses large foundation
Vision-
Language Models (VLMs) as reward models, computing text-observation similarity to bypass manual reward engineering. Although promising, these rewards are often noisy and unreliable, limiting their direct utility during deployment. We present Structure-Aware Fine-Tuning (SAFT), a simple, self-supervised method that refines these imperfect reward signals online without access to ground-truth supervision. SAFT leverages intrinsic structural priors to regularize the VLM's latent space via LoRA adapters. We rigorously evaluate SAFT across a spectrum of base model capabilities to demonstrate its versatility. Our results show that SAFT consistently denoises the reward landscape, yielding faster policy convergence and substantially improved
alignment (EPIC distance) relative to the underlying base model, suggesting that failures can often be attributed to structural brittleness rather than semantic misunderstanding. By replacing extensive human preference annotation with structural inductive biases inherent to the task, SAFT offers a scalable path for stabilizing text-conditioned RL and underscores the broader value of incorporating task structure as a general inductive bias.
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All authors Pyrros Koussios, Chenhao Li, Xin Chen, Andreas Krause
Machine Learning · Cross-listed from cs.AI
ContinualSkillBench: Can LLM Agents Truly Evolve Their Capabilities?
Tianyi Guan, Yiding Wang, Haotong Yang et al. (+5 more)
Modern
agent frameworks equip large
language models with external skill libraries to solve complex tasks. However, it remains unclear whether these systems can effectively evolve their skills and whether the resulting skills improve task-solving capabilities. To bridge this gap, we introduce ContinualSkillBench, a dynamic evaluation framework for in-context continual skill learning. It covers five domains, each with 100 tasks ordered by difficulty and opportunities for skill transfer. Our experiments show that sequential execution generally improves performance, but the gains vary substantially across models and domains. Moreover, across two models and three domains, retaining context and feedback without skill maintenance yields nearly the same mean performance as maintaining an explicit skill library. Explicit skills nevertheless provide selective benefits for tasks requiring reusable procedures or precise outputs. We further find that the weaker model (GPT-4o) accumulates more skills but reuses them less often, suggesting difficulty consolidating task-specific experience into reusable procedures. These findings show that current in-context skill
evolution mechanisms can support continual adaptation, but still struggle to consistently consolidate experience into robust and transferable skills.
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All authors Tianyi Guan, Yiding Wang, Haotong Yang, Siyuan Cao, Shirui Liu, Yi Hu, Jiaqi Li, Muhan Zhang
Machine Learning
GENESIS: Towards Explainable Causal Discovery
Abhinav Thorat, Ravi Kumar Kolla, Vishak K Bhat et al. (+2 more)
Causal Discovery (CD) from observational data faces two fundamental challenges. First, purely statistical methods often lack the power to resolve structural ambiguities in low-sample regimes. Second, although LLM-assisted hybrid approaches improve structure recovery through semantic
reasoning, the influence of that
reasoning on individual edge decisions remains largely opaque. Consequently, existing hybrid methods fail to satisfy a fundamental requirement: explaining why a particular edge is included or excluded in the learned directed acyclic graph (DAG). This is critical in real-world applications, where no ground-truth DAG exists and every structural decision must be independently justified. We formalize this requirement as decision traceability, requiring every inferred edge to be supported by auditable statistical evidence, Markov Blanket consistency, or explicit domain
reasoning. We propose GENESIS, an explainable hybrid CD framework that decomposes graph construction into interpretable decision points. GENESIS first identifies and scores three-node structural motifs, including chains, forks, and
colliders, to establish transparent structural priors, then progressively refines the graph by integrating these priors with observational evidence, invoking domain knowledge only when statistical evidence is insufficient. By design, every edge decision is resolved through an auditable source of evidence. Experiments show that GENESIS achieves 100% decision traceability across all settings, establishing explainability as a first-class objective in causal discovery. Despite this additional requirement, GENESIS consistently outperforms purely statistical CD methods on the majority of
benchmark datasets across all sample regimes in terms of Structural Hamming Distance (SHD), while achieving performance comparable to state-of-the-art LLM-assisted approaches.
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All authors Abhinav Thorat, Ravi Kumar Kolla, Vishak K Bhat, Harsh Vardhan Singh Chauhan, Niranjan Pedanekar
Machine Learning
CRS-Triage: Confidence- and Reliability-Aware Selective Triage under Incomplete Clinical Evidence
Guan Qiang, Yushen Chen, Tianlong Liu et al. (+3 more)
Emergency triage requires reliable decisions within a short time period. However, the available electronic health record (EHR) data, including structured data and clinical text, are often incomplete, unreliable, and inconsistent. This makes machine learning (ML)-based triage prediction more challenging, as existing ML models typically rely on complete and reliable EHR data to accurately predict patients' acuity levels. To address this, we propose confidence- and reliability-aware selective triage (CRS-Triage) to predict patients' acuity levels with a confidence score. By comparing the confidence score with a predefined threshold, CRS-Triage can selectively determine whether the model should make the decision or defer the case. Specifically, CRS-Triage separately evaluates the reliability of structured data and clinical text and then jointly considers the consistency between the two modalities to estimate the confidence of each prediction. Moreover, to reduce the risk of missing high-acuity patients, namely under-triage, CRS-Triage prefers to assign patients slightly higher acuity levels, namely over-triage, by penalizing under-triage errors. Experiments on the MIMIC-IV-ED
dataset show that CRS-Triage achieves strong predictive performance. It also provides a better risk-coverage trade-off and remains reliable when the available EHR data are incomplete, degraded, or inconsistent across modalities.
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All authors Guan Qiang, Yushen Chen, Tianlong Liu, David Rotenberg, Ethan H.Kim, Fang Fang
Machine Learning
Bi-semantic Chemical Embedder for Joint Representation Learning of SMILES and Natural Language
David Ming Segura, Jeremy Goumaz, Joshua W. Sin et al. (+2 more)
Transformer models have revolutionized natural
language processing (NLP), and text-based molecular representations like SMILES have successfully extended these architectures to chemistry. However, domain-adaptive pre-training often causes models to overfit to chemical syntax, catastrophically forgetting their foundational semantic capabilities. To address this challenge, we introduce CheMatE, a chemistry-oriented
embedding model that jointly captures molecular structure and domain-specific natural
language within the same representation space. Built on a ModernBERT backbone, CheMatE learns bi-semantic representations through a two-stage training procedure: continued masked
language modeling (MLM) followed by a Matryoshka contrastive learning stage via Multiple Negative Ranking Loss (MNRL). First, we train the model using MLM on a novel, large-scale corpus of SMILES-annotated, long-context scientific documents that were constructed and curated from FineWeb and ChemPile (comprising 10.4B and 11.5B
tokens, respectively). Subsequently, the model undergoes contrastive learning using a synthetic
dataset of SMILES-text pairs algorithmically derived from our original training corpus. This design exposes the model to SMILES-enriched scientific literature, enabling bi-semantic understanding. We evaluate CheMatE across a range of downstream tasks covering molecular property prediction and scientific
language understanding. Our results demonstrate that coupling our custom-curated
datasets with this sequential training strategy yields robust, highly transferable representations. By effectively unifying structural and contextual signals within a single text-based framework, CheMatE achieves competitive performance across both specialized chemistry models and general-purpose
language model baselines.
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All authors David Ming Segura, Jeremy Goumaz, Joshua W. Sin, Bojana Ranković, Philippe Schwaller
Machine Learning
When Calibration Depends on the Scoring Rule: Quantized Biomedical LLM Classification
Anton Rasmussen and Hong Qin
Quantized large
language models can run on consumer hardware, which motivates interest in on-premises processing of sensitive data. The reliability of their confidence estimates depends on implementation choices (
prompt template, label wording, and scoring normalization) that are seldom treated as experimental variables. We evaluate three 7-billion-parameter Mistral variants (a base model, BioMistral, and an instruction-tuned checkpoint evaluated without its chat template) at FP16, INT8, and INT4 on five-class sentence classification in medical abstracts. We test two primary templates on n = 2,000 test sentences and two auxiliary templates on n = 200 validation sentences. Our central observation, made without post-hoc calibration, is that switching from summed to mean-
token log-likelihood reverses which model appears better calibrated: BioMistral's mean calibration error across matched conditions nearly triples, while the instruction-tuned model's drops by more than half. Accuracy changes by at most 1.4 percentage points for these two checkpoints. Negative log-likelihood and Brier score show the same reversal. The two primary templates were selected using test-derived examples, so absolute performance with them is exploratory. Between them,
prompt choice changes mean accuracy across precisions by 2.9 to 17.8 percentage points. Eight-bit quantization changes accuracy by at most 1.1 percentage points for the adapted checkpoints; four-bit quantization shows mixed but non-catastrophic effects. Post-hoc temperature scaling reduces calibration error under summed scoring but was not fitted under mean-
token scoring, so whether the reversal survives per-scorer calibration is unknown. These exploratory results suggest that calibration comparisons of decoder-based classifiers should treat scoring normalization and
prompt design as first-order experimental decisions.
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Machine Learning
FedCritic-MIMO: Communication-Efficient Serverless Federated Critic Learning for Massive-MIMO Resource Control in Open and Disaggregated 6G RANs
Amin Farajzadeh and Melike Erol-Kantarci
This paper proposes FedCritic-
MIMO, a communication-efficient serverless
federated multi-
agent reinforcement learning framework for AI-native resource control across independently deployable
cell-level controllers in open and disaggregated 6G RANs. Controllers share no trainer, retain local actors and personalized critic components, and exchange only compatible shared critic parameters. FedCritic-
MIMO targets reuse-$1$ multi-
cell massive-
MIMO OFDMA deployments, where RAN controllers jointly manage user scheduling, per-stream power allocation, beamforming, interference, and long-term QoS with limited inter-controller signaling. Each base station locally executes its actor without centralized training or actor federation, while critic knowledge is exchanged peer-to-peer over an interference-aware graph. It enables this collaboration through wireless-aware event triggering, adaptive layer-wise top-$k$ sparse critic exchange with error feedback, and balanced interference-aware fusion. We establish conditional finite-time stationarity and consensus guarantees for the balanced, compressed peer-to-peer critic recursion under a fixed-policy, frozen-target critic-regression model. In strongly interference-coupled reuse-$1$ simulations, FedCritic-
MIMO achieves the best performance-communication tradeoff among heuristic, independent-learning, centralized-training, and communication-ablation baselines. It achieves the highest held-out throughput, improves user-rate distribution and mean SINR, increases QoS satisfaction, and attains the lowest interference cost per delivered bit among learning baselines. It reduces critic-communication overhead by $76\%$ relative to uncompressed distributed critic exchange. These results demonstrate that serverless exchange of compatible shared critic parameters can coordinate RAN controllers without centralized trajectory collection or parameter-server aggregation.
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Machine Learning · Cross-listed from cs.CL
Sensitivity, Causality, and Repair Dissociate: A Layer-Wise Analysis of Perturbation Robustness and Its Scaling
Nathan Labiosa, David Buff, Ena Nayak et al. (+1 more)
When a
language model fails on surface-perturbed input (typos, OCR noise, homophones), "which layer is responsible" has three natural operationalizations: where representations diverge most (sensitivity), where restoring clean activations recovers the prediction (causality), and where a small adapter can repair the damage (compensatory capacity) - and we show these three layer maps dissociate. Across a five-model panel we identify two propagation regimes - spike-and-suppress (Phi-3.5, Gemma-2-9B) and late-accumulation (Llama-3, Mistral, Qwen2.5-7B) - and on the two models meeting an 80% identity-patch gate, sensitivity and causality are anti-correlated (rho = -0.72 to -0.88). Within-family scaling on Qwen2.5 (1.5B to 14B) shows the late-accumulation signature strengthening monotonically with scale, corroborated on a second family. We propose cascade disruption as the mechanism behind the dissociation: adapters placed at causally implicated early layers break intact downstream computation, making diagnostic-flagged sites the worst adapter placements. A fixed-harness layer sweep across four models (3.8-8B) confirms the core prediction on chain-of-thought GSM8K - the flagged sites are the most damaging adapter windows on every adjudicable model - and is sign-consistent but strongly attenuated on a multiple-choice control, consistent with damage that compounds with generation length. The sweep yields practical guidance: a training-free LRD pre-screen and a default-deepest placement rule, though absolute gains over no-adapter baselines remain small. Finally, apparent gains from a representation-stability loss reverse under an adequate generation budget - truncated chain-of-thought had been scored as empty - a methodological warning for any intervention evaluated on chain-of-thought tasks.
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All authors Nathan Labiosa, David Buff, Ena Nayak, Erica Donno
Machine Learning
Resume Means Resume: A Machine-Checked Conformance Contract for Checkpoint, Interrupt, and Resume Semantics in Workflow Persistence Layers
Sajjad Khan
A framework that persists execution state so a run can be interrupted, survive a crash, and continue must decide what a resume means for effects that already happened. Five widely deployed
agent workflow frameworks answer differently, none exposes a machine-checkable contract, and measured behavior violates even the fragments they state. The RESUME CONTRACT states six properties over the persistence API (prefix continuation, effect exactly-once, fork determinism, checkpoint validity, consume-once, recovery determinism), plus fork-intent and liveness obligations. A TLA+ model checks a reference semantics exhaustively, unchanged at scaled bounds (7.4 million states), and the reference conjunction is additionally TLAPS-proved unbounded (196 obligations); a 39-
cell fault
matrix and two companion modules yield the separating models independence requires. A deterministic, LLM-free harness measures them at pinned releases. LangGraph 1.2.9 durably records a second resume value and never consults it, persists schema-invalid state silently, and re-executes durably recorded work after a real SIGKILL: exactly-once across interrupts, at-least-once across crashes, on one API. CrewAI 1.15.2 re-executes completed effect-bearing methods against its written claim; pydantic-graph 1.x cannot resume after a mid-node crash; no two probed frameworks share a conformance profile. Consume-once holds sequentially and fails under concurrent delivery: k processes resuming one parked interrupt fire the gated effect k times, saturation 1.0 in 36 of 40
cells, and the failure crosses hosts. REMIT, a reference sequencer whose Verus-verified recovery core is line-identical to the shipped executable, repairs the fork and validity
cells. The cross-process
cell is repaired at the read path: an opt-in gate claims consumption in the shared store, serving one racer and refusing the rest before any node executes.
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Machine Learning · Cross-listed from cs.CV
Geo-Embed: Towards Unified Multimodal Embeddings for Urban Understanding
Jiapeng Li, Yong Li, Junjie Zhou et al. (+2 more)
Geospatial and urban applications increasingly require models to compare heterogeneous evidence across street-view imagery, remote-sensing observations, text descriptions, region proposals, and temporal change cues. However, existing
multimodal embedding models and
benchmarks are still largely designed and evaluated around general-purpose image-text matching, leaving unclear whether unified
embedding space can support heterogeneous geospatial tasks involving spatial relationships, fine-grained semantics, and temporal changes. To address this gap, we make three key contributions. First, we introduce GeoMEB, a large-scale
multimodal embedding benchmark that standardizes 45 urban evaluation tasks across
retrieval, visual question answering, change detection, classification, and visual grounding, together with training collections comprising 1.32M examples and 286K evaluation queries. Second, we present Geo-Embed, a unified
embedding model that adapts a shared
vision-
language backbone to instruction-conditioned query-target matching over heterogeneous geospatial inputs, including single images, multiple images, text, regions, and masks. On GeoMEB, Geo-Embed achieves the strongest overall performance among representative
multimodal embedders, with a 15.3% relative improvement over the strongest baseline. These results motivate future geospatial embedders that organize training and evaluation around explicit query-target relations, including semantic, cross-view, region-level, and temporal correspondence.
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All authors Jiapeng Li, Yong Li, Junjie Zhou, Fan Zhang, Yu Liu
Machine Learning
UNVaMP: Neural Knowledge Tracing with Variational Regularization of Latent Knowledge Dynamics
Carson J. Cook, Ahmed J. Zerouali, Anthony Schmidt et al. (+3 more)
We introduce the Unified Neural Variational Measurement of Proficiency (UNVaMP) architecture, a knowledge tracing method that integrates observed student-item interactions with internal
memory to produce evolving latent representations of student knowledge. These representations support accurate predictions of future responses while enabling explicit control over the smoothness of estimated learning trajectories. UNVaMP can be configured as either a purely neural model or a hybrid model that predicts responses through an interpretable measurement function over the latent space. We show that a pure neural configuration (UNVaMP-MLP) achieves the strongest predictive performance among compared models on three out of four
datasets. Meanwhile, a hybrid configuration (UNVaMP-MIRT, using a 1PL MIRT measurement function) lags only slightly behind UNVaMP-MLP, indicating that the predictive cost of interpretability is modest. Beyond predictive accuracy, UNVaMP provides the following: a principled mechanism for controlling
volatility when estimating student latent variables, quantification of uncertainty over student knowledge state estimates, and flexible input specification that supports heterogeneous student-item interaction features. In addition, the hybrid UNVaMP-MIRT configuration generates interpretable moment-in-time student knowledge state estimates. Using an experimental
dataset, we show that auxiliary inputs induce structured changes in the predictive behavior of UNVaMP-MIRT, consistent with sensitivity to underlying structure beyond response correctness. Furthermore, through a simulation study, we show that UNVaMP yields well-behaved knowledge state estimates under controlled measurement conditions. In total, these results indicate that UNVaMP is both useful for real-world education systems and capable of recovering underlying structure from student-item interactions.
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All authors Carson J. Cook, Ahmed J. Zerouali, Anthony Schmidt, Reginald Ziedzor, Paul Lin, Luke G. Eglington
Machine Learning · Cross-listed from cs.CL
M-GATE: Multilingual Grammar, Accuracy in Translation, and Efficiency Benchmark for Large Language Models
Tomáš Burkert, Angelika Peljak-Łapińska and David Zelený
Multilingual language models are deployed across a hundred or more
languages, yet most
benchmarks test whether a model can perform a task _in_ a
language rather than whether it commands the
language itself, conflating fluency with proficiency. We introduce M-GATE (
Multilingual Grammar, Accuracy in Translation, and Efficiency), a
benchmark of linguistic proficiency spanning 30 typologically diverse
languages from high- to low-resource. M-GATE comprises three tasks: grammatical error detection on linguist-crafted, adversarially selected sentences that turn on hard,
language-specific phenomena; round-trip translation of shared English sources across 29 target
languages, scored by a three-provider LLM judge panel validated against professional annotators; and a supplementary tokenizer-efficiency measure. We evaluate over 50 models in more than 80 configurations. Fluency and proficiency come apart sharply: models that translate competently sit near chance on the
adversarial grammar items, the best reaching a Matthews correlation coefficient (MCC) of only 0.36, and their errors lean systematically toward under-flagging, accepting ungrammatical text rather than raising false alarms. Translation quality closely tracks a
language's share of pretraining data (r = 0.86 against log Common Crawl share), producing a steep low-resource penalty that is nonetheless narrowing with successive model releases. Enabling
reasoning reliably improves translation, while its effect on error detection is smaller and for some models negative, so the best configuration is task-dependent. To resist contamination, test items are kept private behind a continuously updated public leaderboard, with illustrative examples released (https://m-gate.ai).
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Machine Learning · Cross-listed from cs.CL
Efficient Knowledge Distillation for LLMs: Offline Top-K Logits and a Fused Chunked KL Loss
Bakbergen Ryskulov, Iker García-Ferrero, David Montero et al. (+5 more)
Small
language models are often the only option for deployment under tight latency, cost, and on-premises constraints, but they are rarely trained from scratch: a compressed model is usually recovered through knowledge
distillation (KD). This recovery step largely decides the final quality, yet it is expensive. We present a practitioner's study of how to make
distillation training efficient, organised around two systems contributions. First, we show that offline KD (caching the teacher's top-$K$ logits once and training the student against the cache) matches online
distillation at near-identical training loss while removing the teacher from
memory, running about 29% faster per iteration, and reaching up to 41% higher throughput on a single H200 GPU. Second, we introduce a fused, chunked KL loss that never materialises the full vocabulary-sized logit tensor, making peak
memory linear in the sequence length. This removes the
memory spike that otherwise caps context length and lets us train at four times the context (32{,}768
tokens) on a single GPU. A separate output-head-only toy
benchmark isolates the loss kernel and confirms its
memory and iteration-rate scaling from 4K to 256K
tokens. Together these make large-scale healing and hundreds of ablations affordable. We also report supporting ablations on loss design and sequence packing. We release our chunked-loss implementation: https://github.com/CompactifAI/Full-Chunked-KL-Loss.
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All authors Bakbergen Ryskulov, Iker García-Ferrero, David Montero, David Jansen, Ali Hashemi, Jezabel R. Garcia, Antonio Tiene, Román Orús
Machine Learning · Cross-listed from cs.AI
Computing Actual Causes for Neural Network Predictions under Structured Causal Inputs
Jannick Strobel, Muqsit Azeem and Stefan Leue
Explaining the predictions of neural networks is a central challenge in trustworthy AI. Existing explanation methods, such as those based on feature attribution or minimal sufficient sets, typically treat input features as independent, which can yield misleading explanations when inputs exhibit structured dependencies. We address this by formalizing explanations as Halpern-Pearl (HP) actual causes, modeling input dependencies using Boolean Structural Causal Models (SCMs). We compute HP causes by applying bound propagation and branch-and-bound techniques, while providing formal guarantees of completeness and minimality. Our experiments show that we substantially outperform brute-force and ILP baselines in scalability, and outperform heuristic search as graph size grows, computing all minimal actual causes on instances with search spaces of up to $2.3\times10^{13}$ candidate (cause, contingency) pairs, on SCMs with up to 28 nodes, within a 180s per-instance budget. In a case study, we further show that ignoring input dependencies inflates the number of reported causes, 14.9% of which are spurious under our SCM.
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Machine Learning · Cross-listed from cs.SE
Can LLMs Test Terminal User Interfaces?
Chao Peng, Ruida Hu, Ajitha Rajan et al. (+3 more)
Terminal User Interfaces (TUIs) combine the stateful, screen-oriented behaviour of GUIs with terminal deployment and are now common in developer tools. Yet they lack a dedicated testing methodology. We survey 197 real-world TUI applications: only 12% of test code exercises the interface, and 45% of those tests never send input, checking a static frame instead. We turn these applications into a headless
benchmark spanning ratatui/Rust, bubbletea/Go, textual/Python, and ink/TypeScript, packaging each as an instrumented Docker image. We record line and widget coverage where reliable, rendered terminal states, and crashes. Under equal wall-clock budgets, we compare four frontier LLMs with random exploration. No model dominates. Random is a strong time-budgeted baseline, but its crash advantage comes from higher throughput: per interaction, LLM guidance is more efficient and uniquely reaches input-gated faults. Automatically deriving launch inputs yields the largest practical gain, enabling applications that otherwise never start. Line coverage poorly predicts crash discovery, weakening it as a proxy for test effectiveness. Automated TUI testing is feasible but far from solved, and honest baselines matter more than model choice. We release the coverage tool tuicov at https://github.com/tui-testing/tuicov and the testing framework tuibot at https://github.com/tui-testing/tuibot.
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All authors Chao Peng, Ruida Hu, Ajitha Rajan, Tegawendé F Bissyandé, Jacques Klein, Cuiyun Gao
Machine Learning
Amortized Interventional Forecasting for Multivariate CIR Processes
Andreas Sauter, Sumit Sourabh, Drona Kandhai et al. (+1 more)
Mean-reverting dynamics are pervasive in finance, and the Cox–Ingersoll–Ross (CIR) process is a standard model for the time series they produce, from short rates to credit default swap (CDS) spreads. Yet CIR models capture only correlated co-movement, not causal influence between series, so they cannot answer the system's response when one series is externally shocked, which observational conditionals confound with historical co-movement. We make two contributions. First, an amortized model for distributional causal effect estimation that frames trajectories as time-stamped observations and predicts the calibrated multi-horizon shock response without retraining per scenario. Second, a causal multivariate CIR data-generating process that supplies the paired observational and interventional ground truth that real
markets cannot. We instantiate and calibrate the framework on CDS spreads as a testbed. CIR-ACTIVA's validity is established on synthetic ground truth, independent of how well the simulator matches reality, while practical grounding is assessed by backtesting the generated traces against real CDS data. Against observational and amortized causal-inference baselines, CIR-ACTIVA leads on both causal selectivity in the joint distribution and horizon-resolved calibration, retaining its selectivity once the interventional law varies over the horizon, with gains concentrating at short horizons. This opens up a class of what-if queries on coupled spread systems, CDS stress testing among them, that observational forecasters cannot answer.
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All authors Andreas Sauter, Sumit Sourabh, Drona Kandhai, Erman Acar
Machine Learning · Cross-listed from cs.CV
Maximilian Dillitzer, Tin Stribor Sohn, Jason J. Corso et al. (+1 more)
In human visual perception, uppercase lettering serves as a natural salience cue that captures
attention within lowercase text. In this paper, we present a systematic empirical characterization study revealing that Large
Language Models (LLMs) exhibit an analogous property: letter casing modulates internal
attention allocation. Through analysis across 13 models, nine LLMs and four
Vision-
Language Models (VLMs), with diverse tokenization schemes, we show that formatting target information in alternating or uppercase against a lowercase context concentrates
attention on those textual spans. In text this effect is universal, holding across every evaluated non-
reasoning model. We frame it as a previously under-explored latent property of pretrained
transformers rather than a prescriptive method. Our investigation reveals a central
attention-performance divergence: while this "casing effect" robustly shifts
attention, its impact on downstream accuracy is non-trivial, increased concentration does not inherently improve task accuracy and, in high-
entropy contexts like alternating case, can degrade it. We further identify a boundary condition: the deliberative "thinking" phase in
reasoning models acts as a semantic buffer that mitigates typographic sensitivity in text. Extending the study to VLMs, we find the effect transfers partially: the same
prompt-side casing reorganizes cross-modal
attention along two coupled axes, predominantly a macroscopic disengagement from the image toward the text
prompt, and secondarily a concentration of the residual visual
attention on the target region. By isolating casing as a zero-shot mechanism for
attention steering that requires no model access or fine-tuning, we provide a new foundational understanding of how pretraining internalizes typographic emphasis.
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All authors Maximilian Dillitzer, Tin Stribor Sohn, Jason J. Corso, Michael Auerbach