Machine Learning · Cross-listed from cs.CL
How Divergence Becomes Decision Flips in Compressed Language Models
Beatriz Almeida Felicio
Compression reports summarize how far a compressed
language model moved from the dense one, usually by a KL divergence; a deployment that relies on the dense model's outputs needs to know how many of its decisions changed. We show that total variation, not KL, answers this directly. Across 802 compressed and perturbed copies of 19 open models on five corpora and nine mechanically unrelated perturbation families, the rate at which the arg-max
token changes (the flip rate) tracks total variation at a ratio with median $1.05$, with no fitted constant. KL converts into flips only through its square root and a factor that varies fourfold across models and corpora, because KL averages over
tokens before the root is taken; first-order statistics averaged per
token, such as Hellinger distance, avoid this, but reports rarely give them. As a result, of two compressors reported on different models and corpora whose flip rates differ by at least $10%$, KL assigns the smaller divergence to the one that changes more decisions in $11%$ of cases, total variation in $1%$. Two pre-registered tests mark the limits: on a held-out code corpus the ratio held for all eight models while three predictions about KL each failed for half of them or more, and on three new models with real kernels it stayed in its band for 37 of 38 checkpoints but fell below one on code for two models. In vLLM speculative decoding, total variation measured under teacher forcing predicts greedy draft acceptance with a mean relative error of $1.1$–$2.4%$, without the task-specific calibration that KL needs.
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Machine Learning · Cross-listed from cs.CV
FedMAD: Modulation-Aware Directional Aggregation for Federated Learning in Remote Sensing Image Classification
Bar{\i}ş Büyüktaş and Begüm Demir
Federated learning (FL) has recently attracted increasing
attention in remote sensing (RS) since it enables collaborative model training across decentralized RS image archives without requiring direct access to local data. However, FL performance significantly degrades when the data distributions between clients are heterogeneous, which often occurs due to geographical differences, seasonal changes, and varying image acquisition and atmospheric conditions. To address this challenge, in this letter, we propose a novel personalized FL framework (denoted as FedMAD) for RS image classification problems. The proposed framework separates globally shared representation parameters from client-specific adaptation parameters to preserve client-specific features while maintaining globally transferable representations. This is achieved by integrating lightweight modulation modules and local batch normalization layers into the backbone network. Although globally shared parameters are collaboratively optimized between clients, client-specific parameters remain local to preserve domain-specific feature characteristics. In addition, FedMAD introduces a modulation-aware directional aggregation strategy that dynamically adjusts the importance of aggregation for each client according to the
alignment of local modulation updates. This allows the global optimization process to suppress conflicting client updates originating from heterogeneous data distributions while enhancing the contribution of clients with consistent adaptation behaviors. The experimental results obtained on the BigEarthNet-S2 and EuroSAT
datasets demonstrate the effectiveness of FedMAD compared to state-of-the-art FL
algorithms under heterogeneous RS data distributions. The code of the proposed framework will be publicly available at https://git.tu-berlin.de/rsim/fedmad.
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Machine Learning · Cross-listed from cs.DC
Leto: Fast In-Place Recovery for LLM Training on Surviving Hardware
Geon-Woo Kim, Joon Ha Kim and Daehyeok Kim
Hardware-operable failures (HOFs) interrupt large
language model (LLM) training but permit recovery on the same hardware without reset, repair, or replacement. Existing recovery systems nevertheless reload checkpoints, recompute lost progress, and rebuild process state, idling GPUs that could otherwise continue training. We present Leto, a fault-tolerant training system that leverages surviving hardware to enable efficient in-place recovery. Our key insight is that the state needed to resume training can be retained or prepared outside the active training process while remaining on the same hardware. Leto retains the working model state and the reusable process state, and preinitializes the remaining state in a shadow trainer. We devise two-tier erasure protection and chunk-level transactional updates to keep the retained model state recoverable and consistent, and reclaim the shadow state when active training needs its GPU
memory. Evaluation on 6- and 72-GPU NVIDIA A100 clusters shows that Leto recovers 3.6–6.5$\times$ faster than the best-performing checkpointing baselines and improves productive training time by up to 13.7 percentage points. Large-scale simulation shows over 95% productive training time on a 131,072-GPU cluster.
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Machine Learning · Cross-listed from cs.CV
SemanTok: Predictable Semantic Tokens for Efficient Autoregressive Video Generation
Mikhail Dereviannykh, Vikram Voleti, Simon Donne et al. (+3 more)
Recent
video-based world models pair the scalability of autoregressive (AR) prediction with the visual quality of
diffusion models. The choice of scene tokenizer is paramount for the optimal performance of each of these, both in terms of fidelity and semantics. Flexible-length, coarse-to-fine tokenizers yield exactly that: the first coarse
tokens carry the clip's global semantics while later
tokens further specify details. Existing flexible tokenizers only apply a representation-
alignment (REPA) loss on early decoder hidden states, a target the decoder can partly meet from its noised input instead. We introduce SemanTok, a flexible
video tokenizer that feeds frozen DINO features into its encoder and adds lightweight heads that reconstruct them from each retained
token prefix alone. SemanTok achieves high semantic
alignment and
video fidelity at every AR model size: a 201M SemanTok AR model matches or beats a VideoFlexTok AR model $3.4\times$ its size, and larger SemanTok AR models further improve fidelity. It keeps semantic
alignment on out-of-distribution classes and gives the decoder higher semantic
alignment at every noise level, including pure noise. It performs well in both reconstruction and generation, and its short
token prefixes are cheaper to predict and give better generation fidelity, with pixel detail deferred to later
tokens.
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All authors Mikhail Dereviannykh, Vikram Voleti, Simon Donne, Mallikarjun Byrasandra Ramalinga Reddy, Shimon Vainer, Mark Boss
Machine Learning · Cross-listed from cs.AI
Backdoor Purification for LoRA-Tuned LLMs via Null-Space Projection
Jianwei Li and Jung-Eun Kim
With the rapid adoption of large
language models (LLMs) and parameter-efficient fine-tuning (PEFT) methods, the risk of backdoor attacks has become more severe. Existing backdoor purification methods typically rely on at least one of the strong assumptions, such as prior knowledge of triggers, access to clean references, or aggressive retraining, and they often lack comprehensive evaluations. These constraints substantially limit their practical applicability. To overcome these challenges, our work proposes purifying LoRA-tuned LLMs without these assumptions and even without post-hoc retraining of the suspect parameters. Our objective is to significantly reduce the attack success rates (ASR) while preserving both (i) the base model's general capabilities and (ii) the new downstream skills learned through the adapter. Through a series of ablation studies, we progressively scale our approach from a single layer in a text classification setting to a full-parameter LLM in the generative task. Through careful data curation and feature approximation, we extract high-fidelity backdoor directions and, for each layer or head, construct orthogonal null spaces in both the input and output channels, onto which the LoRA updates are projected. Empirically, our null-space projection method reduces the ASR from nearly 100% to less than 10%, while preserving the base model's benign performance and the adapter's learned abilities during downstream task adaptation.
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Machine Learning
Grand Canonical Generators
Andreas Burger, Malte Franke, Luka Mucko et al. (+2 more)
We introduce Grand Canonical Generators (GCG), a generative framework that extends Boltzmann generators to the grand canonical ensemble. We present two designs. The first conditions a variable-size generative model on the chemical potential, sampling particle number and configuration jointly. The second factorizes the grand canonical distribution into a particle-number distribution and the corresponding canonical Boltzmann density. This factorized formulation can use any existing Boltzmann generator for the canonical component, encodes the known linear chemical-potential dependence analytically, and yields a tractable likelihood that supports self-normalized importance sampling (SNIS). Empirically, GCG accurately reproduces grand canonical observables on a Lennard–Jones fluid and methane adsorption in a zeolite, demonstrating generalization across chemical potentials and correction via SNIS and grand canonical Monte Carlo.
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All authors Andreas Burger, Malte Franke, Luka Mucko, Kjell Jorner, Alan Aspuru-Guzik
Machine Learning · Cross-listed from cs.AI
Ontology-Grounded, Reasoner-Verified Benchmarks for Evaluating LLM Reasoning in Scientific AI
Nishtha N. Vaidya, Stephan Grimm, Thomas Hubauer et al. (+1 more)
Large
language models (LLMs) increasingly underpin scientific AI applications that reason over structured knowledge, from biomedical question answering to materials informatics. However, their logical
reasoning often falls short, producing factual inaccuracies unacceptable in these settings. Reliable evaluation remains challenging: manual
dataset construction scales poorly, and LLM-based generation risks
embedding the very flaws it aims to measure. High-quality
benchmarks must ground both correct and incorrect labelled examples in explicit background knowledge, formally verifiable by a standard reasoner. We propose a pipeline that automatically generates ontology-grounded multiple-choice question (MCQ)
benchmarks from any sufficiently axiomatised OWL 2 ontology, with correct answers grounded in the ontology by design. Distractors are generated by perturbing the right-hand-side class expressions of class definition axioms, and their incorrectness is formally verified by an OWL reasoner via entailment checks. We evaluate the pipeline on three ontologies: Pizza (small, academic), PMDco (complex, materials science), and DOID (large, biomedical), generating 112, 2,491, and 15,216 MCQs respectively. Distractors span four semantic categories from class unsatisfiability to weakened subsumptions, enabling diagnostic evaluation of specific
reasoning failures. Items meet natural
language quality standards: mean LLM judge scores of 4.02, 4.36, and 3.36 out of 5 confirm fluency, and correct-answer-to-distractor similarity above 0.8 shows that wrong options cannot be dismissed on surface form alone. Six LLMs evaluated zero-shot achieve 41.1-76.8% accuracy, well above the 25% random-guessing baseline, indicating the
benchmarks are challenging and discriminative. This work is a step towards more reliable
benchmarks for assessing logical
reasoning in scientific AI.
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All authors Nishtha N. Vaidya, Stephan Grimm, Thomas Hubauer, Thomas A. Runkler
Machine Learning
Curvature Under Attack in hZACH-ViT: Gauge Symmetry, Boundary Saturation, and Adversarial Failure
Athanasios Angelakis and Marta Gomez-Barrero
Curvature is often treated as an intrinsic property of a representation, although its empirical effect also depends on coordinate scale, learned logit temperature, and numerical safeguards. We study this interaction in hZACH-ViT, a compact
Vision Transformer with Euclidean, Poincare, and spherical prototype heads. The backbone architecture, seed-specific initialization, 50-per-class training subset, and optimization protocol are matched across three MedMNIST
datasets and five seeds. At the fixed comparison
curvature $c=1$, Poincare has the lowest class-macro PGD attack-success rate in all 12
dataset-budget
cells and under a stronger CE+DLR multi-restart attack on all three
datasets, but it also has the lowest clean MacroF1. An end-to-end
curvature intervention changes the interpretation. Reducing Poincare
curvature to $c=0.1$ improves clean MacroF1 in every one of the 15 paired seed-
dataset comparisons and removes hard boundary clipping, yet on OrganAMNIST it increases strong attack success from $89.7\%$ to $99.3\%$ (paired difference $+9.57$ points; 95% hierarchical bootstrap CI $[+5.52,+14.03]$). At $c=1$, $40$-$47\%$ of clean Poincare features are hard-clipped, the radial Jacobian of the inherited map is nearly zero, and dimensionless attack trajectories are unusually long and inefficient. The spherical head provides a control: its
curvature change is an exact scale gauge to floating-point precision and produces much smaller attack differences. These results do not establish intrinsic
hyperbolic robustness. They identify an implementation-sensitive regime in which
curvature, scale, and proximity to the Poincare boundary jointly organize clean recognition and
adversarial representation motion.
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Machine Learning · Cross-listed from eess.IV
Nonparametric Distribution Matching for Self-Supervised Whole-Slide Image Condensation
Duong M. Nguyen, Trong Nghia Hoang, Hang Thi Nguyen et al. (+3 more)
Histological whole-slide images (WSIs) are central to computational pathology but pose severe computational challenges due to their extremely high resolution, often spanning several gigabytes per slide. To enable scalable learning, existing methods apply self-supervised data condensation to reduce computational cost, but typically rely on heuristic prototype learning and do not explicitly preserve learning-relevant feature distributions for downstream tasks. In response, we introduce a principled reformulation of WSI condensation as a distribution-matching problem under a fixed representational lens, and develop NICER, a tractable approximation framework based on a nonparametric prior with slide-adaptive capacity. Experiments on five histopathology
datasets, together with clinical evaluation from a board-certified pathologist, show that NICER consistently outperforms prior methods, achieving an average accuracy improvement of 7.44% while offering improved efficiency-accuracy trade-offs, highlighting the benefits of principled, distribution-aware condensation for scalable histological representation learning. Source codes are available in https://github.com/nmduonggg/NICER.
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All authors Duong M. Nguyen, Trong Nghia Hoang, Hang Thi Nguyen, Thanh Trung Huynh, Phi Le Nguyen, Minh N. Do
Machine Learning
Learning Transferable Skills using Goal-Conditioned Bisimulation
Mohammad Amin Abbasfar, Farbod Azimmohseni and Mohammad Hossein Rohban
Unsupervised skill discovery has emerged as a promising approach for leveraging reward-free
datasets to pretrain general-purpose policies. However, current skill discovery methods either require access to expert data or exhibit limited generalization, failing to transfer effectively to previously unseen layouts. A key challenge is to learn representations that capture the temporal structure of the environment while remaining robust to variations across layouts. To address this issue, we present an objective for learning action-aware temporal representations that satisfy the functional equivariance property while preserving the local temporal structure of the environment. Building upon this
embedding, we further propose unsupervised skill discovery using bisimulation, which learns transferable skills by conditioning the behavior of skills exclusively on the subset of state features that directly affect their execution. This enforces invariant behavior across different layouts, enabling skills to transfer effectively to other configurations. Finally, through comprehensive empirical evaluations, we show that skills learned in a given environment can be effectively applied to solve downstream tasks in various environment layouts, demonstrating strong out-of-distribution generalization.
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Machine Learning
LabBook: Harnessing Experimental History for Efficient LLM-Driven Discovery
Bo Yuan, Wenqian Ye, Zelin Zhao et al. (+4 more)
Evolutionary approaches to LLM-driven discovery often generate new programs from a small set of selected ancestors. This keeps contexts manageable but can omit useful evidence from other experiments, whereas including the full experimental history produces long, redundant contexts. We introduce a simple, single-
agent discovery harness built around LabBook, an
agent-maintained
memory that serves two complementary roles: guiding
retrieval of relevant evidence from a complete experimental log and informing the generation of new solutions. At each iteration, the same
agent combines its
memory with retrieved evidence and jointly produces the next program and an updated LabBook. This separates complete history retention from selective context construction, without requiring an explicit population or branching search structure. On 49 Frontier-CS problems, LabBook improves the observed quality-cost trade-off over the evaluated evolutionary baselines with two backbones, while remaining competitive across nine additional mathematical, systems, and heuristic-design tasks. Code will be released at https://github.com/BoYuanVisionary/LabBook.
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All authors Bo Yuan, Wenqian Ye, Zelin Zhao, Lama Moukheiber, Henry Kautz, Aidong Zhang, Yongxin Chen
Machine Learning
ORBIT-FMIB: Tracking Order-Resolved Epistatic Information Through ESM-2
Maryam Rahimimovassagh, Ivan Garibay and Niloofar Yousefi
Protein foundation models support mutation-effect and structural prediction, but predictive performance alone does not reveal which forms of biological interaction information remain accessible through model depth. We ask whether ESM-2 retains higher-order epistatic information as strongly as first- and second-order information across its representation hierarchy, introducing ORBIT-FMIB, a diagnostic framework combining Walsh-based interaction decomposition with subset-conditioned neural dependence estimation. The method is validated on synthetic landscapes with known interaction structure before being applied to the dense four-site GB1 fitness landscape using frozen ESM-2 representations. An initial production run suggested ESM-2 retains higher-order epistatic information less well than lower-order information ($\Delta_{\mathrm{HO-LO}}=-0.107$). An independent replication of the complete measurement grid, under matched GPU hardware and identical critic seeds, substantially reduced this contrast ($\Delta_{\mathrm{HO-LO}}=-0.017$), and its sign was unstable across otherwise-defensible evaluation-pairing choices applied to the same trained critics ($-0.011$ to $+0.015$). We therefore do not currently have robust evidence that ESM-2 selectively loses higher-order epistatic information, nor that retention is equal across orders; the directional question remains open. The measurement protocol itself, including its documented removal of a positional-subset shortcut in pooled critics, remains validated and is unaffected by this finding. ORBIT-FMIB is offered as a diagnostic framework for probing interaction structure in
protein foundation models; this study's own replication result illustrates why such probing requires adequately-powered reproducibility checks before its output is treated as a biological finding.
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Machine Learning
Analysis of Quantized and Efficiently Adapted Protein Language Models
Ilan Yaniv Zeisler, Sebastian Clancy, Pouriya Bayat et al. (+8 more)
Background:
Protein language models (PLMs) are increasingly used for sequence generation and property prediction, but their size makes fine-tuning and deployment expensive. The effects of quantization and parameter efficient fine-tuning on performance, representations and generation remain insufficiently characterized. Results: We evaluated 4-bit quantization and low-rank adapter fine-tuning (QLoRA) across ESM-2, ESMC, ProtBERT, ProtT5, Ankh, Ankh3 and Profluent-E1. Across
protein prediction tasks, many model-task pairs retained more than 90% of full fine-tuning performance. Peak GPU
memory savings approached 90% for the largest models, although performance and efficiency varied by model,
dataset and training configuration. QLoRA often preserved early-layer representations while inducing task-specific adaptations in middle and late layers, resembling full fine-tuning with smaller representational changes. Training speed and power effects were more varied. For unconditional generation with ProLLaMA, ProtGPT2, ProGen2, ProteinGLM and ESM3, 4-bit quantization largely preserved predicted structural and sequence-level properties, but
token-level analysis revealed model-dependent shifts in autoregressive output distributions. Conclusion: QLoRA and 4-bit quantization reduce PLM computational requirements, particularly GPU
memory usage. Our results support QLoRA as a first-pass strategy for
memory limited adaptation, reserving full fine-tuning for challenging tasks, unstable architectures or low validation recovery. For generative PLMs, sequence-level and structural metrics should be complemented with distributional analysis, since downstream predictions alone may miss quantization-induced shifts. These approaches can broaden access to large-scale
protein modelling while requiring model- and task-specific validation.
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All authors Ilan Yaniv Zeisler, Sebastian Clancy, Pouriya Bayat, Saaim Raad, Ivan Kraskov, Matthew Xie, Vivian White, Spencer Perkins, Serena Singh, Sepehr Bayat, Keith Pardee
Machine Learning · Cross-listed from cs.AI
Backdoor Containment via Expert Quarantine and Shutdown in LLMs
Jianwei Li, Min-Seon Kim and Jung-Eun Kim
Backdoored large
language models (LLMs) can behave normally on benign inputs while producing attacker-specified outputs under hidden triggers. Existing defenses span four stages–prior-training, in-training, post-training, and inference-time–and share one of two underlying strategies: either suppress backdoor learning (by filtering poisoned data or interrupting its acquisition during optimization) or learn, then purify (by repairing model weights or gating inputs after a fully backdoored model has formed). We propose a third strategy, learn, but channel: allow backdoor formation during training but route it into a designated, quarantined component that can be disabled at deployment. To this end, we propose Quarantined Expert Shutdown QES, a computationally efficient containment strategy built in a regularization-steered MoE-like setting. Specifically, given a poisoned
dataset, QES augments a
Transformer-based
language model with routed expert-specific LoRA branches and lightweight routers, and uses auxiliary routing objectives to attract trigger-conditioned behavior into a designated expert while preserving benign capability elsewhere. At deployment, mitigation reduces to a single constant-time operation: zeroing the quarantined expert's routing weight, without trigger screening or further updating model weights. Empirically, our methods reduce the attack success rate ASR from 100% to 0-10% on most settings across two tasks, three attacks, and four model families, while downstream utility is often preserved or only modestly affected. These results establish learn, but channel as a previously unexplored regime for backdoor containment in generative LLMs.
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Machine Learning
Exploring More, Reasoning Better: Stepwise Risk-Sensitive GRPO for Diffusion Language Models
Yue Yu, Bowen Zuo, David Crandall et al. (+2 more)
Diffusion large
language models (dLLMs) generate text by denoising a sequence or successive blocks, allowing several
tokens to be revealed in parallel. Reinforcement learning with verifiable rewards (RLVR) reuses terminal feedback across these decisions, even as their conditioning context changes. We propose stepwise risk-sensitive GRPO (StepRS-GRPO), which varies the risk coefficient of the group-advantage transformation across denoising states while retaining the underlying trainer. For binary rewards, we show that this transformation is exactly a
prompt- and state-dependent rescaling of centered outcome advantages. A capability-based calibration suggests a coefficient scale, while endpoint and interpolation ablations guide schedule selection. Across multiple dLLM backbones and mathematical
reasoning benchmarks, StepRS-GRPO improves both pass@1 accuracy and pass@k coverage over centered GRPO, while increasing answer diversity. In our ablation studies, mass-matched controls support the contributions of state allocation and schedule direction, and the gains persist after matching the root mean square (RMS) of the advantages to that of centered GRPO.
Reasoning-trace diagnostics further show that the diversity gains from StepRS-GRPO extend beyond final-answer strings.
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All authors Yue Yu, Bowen Zuo, David Crandall, Yinglun Zhu, Dongruo Zhou
Machine Learning · Cross-listed from cs.AI
When More Data Is Not Enough: The Context-Sufficiency Frontier in Generative AI Personalization
Merieme Askour and Ayoub Merimi
Personalization has long relied on customer data to infer what an individual is likely to value. We call this customer evidence: the customer's historical behavior and preferences. Generative AI extends personalization by allowing providers to supply changing situational information at the moment a response is produced, without encoding every condition in advance. We define this provider-side context as information about what is possible, permitted, or advisable now. This flexibility creates a new problem: once context becomes easy to supply, more is not necessarily better. We develop a theory of context sufficiency in which the relevance of context to the customer's current intent matters more than its volume. The theory identifies four states, insufficiency, sufficiency, saturation, and interference, and introduces the Context-Sufficiency Frontier to locate the minimal relevant set. In a full-factorial experiment with a generative recommender at a large home-furnishing retailer, relevant context improved appropriateness, while irrelevant context reduced it and destabilized
retrieval. The framework shifts personalization from supplying more context toward identifying what the current interaction actually requires and enforcing constraints throughout the service process.
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Machine Learning · Cross-listed from cs.AI
Agent Evaluation Reliability: More Tasks Won't (Always) Fix An Agent Leaderboard
Michael Hardy, Ruhana Azam, Anka Reuel et al. (+2 more)
Agent evaluations are increasingly used to compare LLMs and inform deployment decisions, yet ranks can reflect not only the model but also the effects of the evaluation conditions such as the scaffolds or tasks. This makes reliability claim-dependent: an evaluation that reliably ranks deployed systems may not reliably rank underlying models. We ask which conclusions current
agent evaluations reliably support and what additional evaluation would improve them. We develop a
Bayesian variance-decomposition framework for sparse, imbalanced
agent leaderboards and apply it to 22
benchmarks from the Holistic
Agent Leaderboard and Harbor Index. The framework separates signal, performance differences relevant to the intended claim, from noise, irrelevant variation that can still change rankings. We find: (1) Reliability depends on the measurement goal. Fixed model-scaffold systems are ranked reliably (0.935-0.994), while underlying-model reliability is substantially lower (0.148-0.841). (2) Scaffold choice can change conclusions. Inter-scaffold reliability measures whether scaffolds preserve model rankings, showing that scaffold effects vary substantially across evaluations. (3) More tasks cannot resolve all uncertainty. Even infinitely many similarly constructed tasks improve model-ranking reliability of a
benchmark by at most 0.097 when uncertainty is dominated by limited scaffold coverage. (4) Pooling diverse
benchmarks can improve cross-task rankings at lower cost. For rankings across diverse agentic tasks, pooling
benchmarks raises projected reliability from 0.44 to 0.75 at the same task budget and can reduce projected cost by up to 83%. Evaluation design should follow the intended claim: identify what a score or ranking should mean, diagnose what limits its reliability, and spend evaluation budget on the sources of uncertainty that matter.
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All authors Michael Hardy, Ruhana Azam, Anka Reuel, Mykel Kochenderfer, Sanmi Koyejo
Machine Learning · Cross-listed from cs.SD
On Evaluating Quantum Kernel Robustness for Low-Resource Cross-Corpus Audio Deepfake Detection
Lisan Al Amin, Lei Zhang and Vandana P. Janeja
Synthetic
speech detection is critical for audio security, but performance can degrade when labeled data are scarce and evaluation conditions differ from training. This study examines
quantum kernel methods and lightweight neural models for cross-corpus audio deepfake detection under limited training data. We compare a
Quantum Support Vector Machine (QSVM), a classical support vector machine (SVM), and a multilayer perceptron (MLP), all trained on frozen wav2vec 2.0
embeddings using a strict budget of 200 training samples. To match the
qubit budget of near-term
quantum hardware,
embeddings are reduced to four dimensions using principal component analysis, and all models use the same reduced features. Experiments on ASVspoof 2019, ASVspoof 5, the ADD 2023 Challenge, and the In-the-Wild
dataset show that under severe domain shift from ASVspoof 2019 to ADD 2023, the MLP degrades to near-random performance, with an area under the curve of approximately 50% and an equal error rate of 50.0%. In contrast, the QSVM maintains meaningful discrimination, achieving an area under the curve of 76.0% and an equal error rate of 27.0%. This advantage is not consistent across transfer directions. When trained on ADD 2023, the QSVM falls below chance on two of three transfers, while the MLP performs better. These results suggest that
quantum kernel methods can be competitive under severe cross-corpus shifts and strict low-resource constraints, but do not provide a consistent advantage under near-domain transfer. We interpret these findings as an empirical characterization of
quantum kernel inductive bias under distribution shift, rather than evidence of
quantum advantage, since the four-
qubit kernel can be simulated exactly on classical hardware.
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Machine Learning
Group-Invariant Statistics Determine Embedding Geometry: Harmonic Analysis of Representations from Bach to the Night Sky
Liam Storan, Andreas Tolias and Nina Miolane
The representations that
language models learn for concepts such as months, weekdays, and places display consistent
geometric structure: circles and saddle-shaped "Pringle"
manifolds. Recent work traced these structures to $\textit{translation symmetry}$ in word co-occurrence statistics, deriving the observed
Fourier geometry when co-occurrence depends only on distance on an abelian
lattice of concepts. We demonstrate that more general notions of
symmetry lead to equally structured predictions. Considering
symmetries defined by arbitrary finite groups, compact groups, and homogeneous spaces, we prove that whenever the co-occurrence statistics of a word family are invariant under a group $G$, the learned word
embeddings consist of
matrix elements of the irreducible representations (irreps) of $G$. Circles and Pringles arise when $G$ is cyclic, in which case the irreps are
Fourier modes. We verify the irrep structure in three experimental settings. (i) The cyclic group $\mathbb{Z}_{12}$: for the months of the year we recover the known circular geometry. (ii) A dihedral group acting on the major and minor triads: we unify two classical observations – that transposition and chord inversion form a group ($T/I$) acting on chords (music theory), which $\textit{implies}$ that the well-known "circle of fifths" emerges in learned chord
embeddings (machine learning). (iii) We explain and reproduce a recently discovered spherical representation of celestial objects in large
language models (LLMs) as a spherical-harmonic
embedding derived from our theory. Our results demonstrate that the geometry of learned representations is often a consequence of the statistical
symmetry of underlying data.
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Machine Learning
Learning Linear Systems under Heavy-Tailed Noise: A Non-Asymptotic Analysis from A Single Trajectory
Xiaomian Yang and Sungho Shin
We establish non-asymptotic sample complexity bounds for the least-squares estimation of vector autoregressive models for exponentially stable systems with heavy-tailed noise based on a single observed trajectory. By assuming i.i.d. noise, bounded noise covariance, and persistent excitation, we show that the estimation error is $\widetilde{\mathcal{O}}(r^{1/2}T^{-1/2+1/p})$ under bounded $p$th moment for $p > 2$, where $T$ is the number of samples, $r$ is the noise dimension, and $\widetilde{\mathcal{O}}(\cdot)$ hides logarithmic terms. We also introduce a unifying approach to sample complexity analysis applicable to broad classes of noise distributions and showcase this by deriving error bounds for sub-exponential and sub-Gaussian noise distributions. Finally, we specialize our analysis to autoregressive models with exogenous inputs and show that the dimension factor of the error bound is independent of the model order.
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Machine Learning · Cross-listed from cs.AI
CompMat-Bench: Benchmarking AI Agents for Computational Materials Science
Chenmu Zhang, Levi Felix, Jun-Jie Zhang et al. (+6 more)
Evaluating AI
agents on scientific research tasks is constrained by the time and resources required for the underlying experiments or calculations. In computational materials research, repeating the same expensive simulations across
agents and trials can make evaluation impractical. We introduce CompMat-Bench, a
benchmark of 94 tasks derived from recently published computational materials studies, each asking
agents to complete a step toward achieving the study's scientific goal. We reproduce the research steps in advance and assess
agents on preparing inputs and analyzing outputs for expensive simulations, so expensive simulations can be avoided during evaluation. The reproduced inputs and results serve as ground truth for grading
agents with fixed rules, without an LLM judge. The
benchmark supports four evaluation conditions: single tasks and workflows composed of related tasks, each with full or reduced methodological guidance. With full guidance on single tasks,
agents based on three LLMs demonstrate the ability to complete individual materials research steps, with pass rates of 66.0-90.4% across 94 tasks. Both longer workflows and reduced guidance can limit
agent performance, but in different ways for different
agents: they lower the pass rates of the weaker
agents, whereas the strongest
agent falls only when a long workflow is combined with reduced guidance. Failure analysis attributes most failures to scientific errors rather than to errors in software usage. CompMat-Bench provides a basis for comparing
agents on the steps of real materials research and for analyzing
agent failure modes.
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All authors Chenmu Zhang, Levi Felix, Jun-Jie Zhang, Xingfu Li, Xuelian Jiang, Tao Jiang, Subhendu Mishra, Xixi Qin, Boris Yakobson
Machine Learning
Misalignment of Low-Loss Regions Causes Grokking
Yongding Tian, Zaid Al-Ars, Maksim Kitsak et al. (+1 more)
Grokking refers to the delayed emergence of validation-set generalization after a model has already overfit the training set. Although first observed in small algorithmic tasks trained with
transformers, its underlying mechanism remains unsettled. In this work, we develop an analysis framework based on mode connectivity and the geometry of low-loss regions. The framework predicts that the standard modular-arithmetic setting does not always produce grokking: under a
symmetry-preserving train/validation split, we observe a stable anti-grokking case in which validation performance does not recover. This counterexample challenges several existing correlational explanations of grokking. More broadly, our analysis framework and results further suggest that grokking arises when the low-loss regions induced by the training and validation partitions are misaligned. Once these regions become well aligned, training hyperparameters alone cannot produce grokking and the observed dynamics collapse to either trainable or non-trainable behavior.
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All authors Yongding Tian, Zaid Al-Ars, Maksim Kitsak, Peter Hofstee
Machine Learning
Learning the identity: a case study of how SGD selects among functional decompositions
Andy Arditi, Weian Xie, David Bau et al. (+1 more)
One might think that learning the identity function with a deep linear residual network is trivial - the path along residual connections already implements the identity, and so the network need only drive its weights to zero. However, this zero-weight solution is just one point on an entire
manifold of population-loss minimizers, each corresponding to a different decomposition of the identity across the network's layers. Although the population loss does not distinguish among these solutions,
stochastic gradient descent (SGD) reproducibly favors particular ones. For instance, under anisotropic label noise, the learned layers exhibit a noise-dependent spectrum; even with weight decay, SGD does not generally recover the zero-weight solution. Changing only the parametrization, while leaving the set of realizable functions unchanged, yields different behavior: factoring each weight
matrix as a product of two
matrices causes the weights to collapse to zero, even without explicit weight decay. While perhaps mysterious and unintuitive at first, these phenomena can be understood through the lens of entropic loss, which augments the population loss with a term proportional to the expected squared norm of the minibatch gradient (Ziyin et al., 2025). On the identity
manifold, the population loss is constant, while the entropic term distinguishes among these decompositions. We characterize its minimizers analytically and use them to derive predictions for the structure of solutions favored by SGD. Networks trained with SGD closely match these predictions. Overall, the identity learning task studied here serves as a clean and simple case study of how the lens of entropic loss can clarify why SGD favors particular decompositions of the same input-output function.
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All authors Andy Arditi, Weian Xie, David Bau, Liu Ziyin
Machine Learning · Cross-listed from cs.CL
Explainable Suicide Risk Assessment on Social Media with Multi-Task QLoRA
Xuan Zhong Feng, Geoffrey Martin, Hexin Dong et al. (+1 more)
Explainable suicide-risk assessment requires models not only to estimate risk severity, but also to identify supporting
language and the risk and protective factors expressed in a post. We present our system for the IEEE BigData 2026 Cup on Explainable Suicide Risk Assessment on Social Media, which addresses three tasks: risk-level classification, evidence phrase extraction, and multi-label factor identification. Our approach adapts Qwen2.5-Instruct models using quantized low-rank adaptation (QLoRA) and an answer-masked causal
language-model objective. We jointly train across all three tasks for risk classification, jointly train on Tasks 1a and 1b for evidence extraction, and adapt Task 2 separately for factor identification. We also tailor aggregation to each output: we average risk-level probabilities from the 32B and 72B models, combine evidence phrases through cross-fold consensus, and calibrate factor-specific decisions through rate matching based on out-of-fold operating points. On the official leaderboard, the final system achieved a composite score of 0.7738, with 0.8089 on Task 1 and 0.6919 on Task 2. Across the evaluated configurations, three-task training performed best for Task 1a, joint training on Tasks 1a and 1b performed best for Task 1b, and task-specific training performed best for Task 2. Probability averaging further improved Task 1a when component models had complementary errors. These findings highlight the value of tailoring both training objectives and aggregation strategies to the output structure of each task within a unified
language-model framework.
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All authors Xuan Zhong Feng, Geoffrey Martin, Hexin Dong, Yifan Peng
Machine Learning · Cross-listed from eess.AS
End-to-End Historical Music Restoration in Latent Space
Steven Cho, Junghyun Koo, Raphael Lafargue et al. (+3 more)
Historical music restoration (HMR) has almost exclusively focused on constrained problems such as Super-Resolution or the restoration of solo pieces, under-exploring the general task of restoring orchestral historical music, which has multiple instruments. This under-exploration is largely because the HMR domain, early-20th-century recordings, has no pre-degradation ground-truth pairs, making the restoration task unsupervised and more challenging. This paper presents a supervised end-to-end orchestral HMR
benchmark by exploring both the synthetic degradation functions and the end-to-end generative deep-learning restoration methods. We simulate the historical recording degradation chain more faithfully than prior work, which makes orchestral restoration into a tractable supervised problem. A latent flow-matching model trained on the resulting synthetic pairs outperforms existing HMR baselines on intrusive, non-intrusive, and subjective evaluations. We also curate and release a 9.3-hour license-free, unpaired, historical classical-music test set, along with code and audio demos.
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All authors Steven Cho, Junghyun Koo, Raphael Lafargue, Tushar Dhyani, Eloi Moliner, Yuki Mitsufuji
Machine Learning
MIKASA-Robo-VLA: Benchmarking Memory in VLA Models for Long-Horizon Manipulation
Egor Cherepanov, Nikita Kachaev, Aleksandr I. Panov et al. (+1 more)
Vision-
language-action policies often see only one or a few recent frames, which makes it difficult to evaluate how they use information that disappears during a task. We introduce MIKASA-Robo-VLA, a
benchmark of 90
language-conditioned manipulation tasks. All but 10 hide the cue an action depends on. Those 10 are reactive controls. MIKASA-Robo, the suite it rebuilds, has 32 tasks and uses
language only in a representative VLA subset. Here every task provides an instruction, while
memory-dependent tasks hide a task-relevant cue and reactive controls keep it available. For 70 tasks, environment phase timings specify an information gap, and for 28 of them the gap exceeds the 16-frame window of the widest fixed-context VLA we survey. The gap counts only the interval the cue is provably absent, not the full duration a policy must retain it, so every
memory-dependent task still requires
memory by construction, including the ones whose measured gap is short. We release 22,500 oracle trajectories across 10
memory types in RLDS and LeRobotDataset v3. A reference $\pi_{0.5}$ baseline with current images and proprioception, but no observation history or explicit
memory module, is fine-tuned on 14 tasks and achieves 0.211 $\pm$ 0.044 mean task success. Its lower success on the evaluated Long-split tasks is confounded by open-loop chunking and the
memory types represented in that subset. Project page: https://mikasarobo.github.io/
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All authors Egor Cherepanov, Nikita Kachaev, Aleksandr I. Panov, Alexey K. Kovalev
Machine Learning · Cross-listed from eess.SP
Mean Spatial Frequency Decoupling for Learning-Based Uplink-to-Downlink Covariance Conversion in FDD Massive MIMO
Melih Can Zerin
In frequency division duplexing (FDD) massive multiple-input multiple-output (
MIMO) systems, the uplink (UL)-to-downlink (DL) channel covariance
matrix (CCM) conversion problem is studied to relieve the heavy burden of DL training and feedback required for channel estimation. Learning- based methods perform well up to a certain array size, but for a fixed
dataset size their accuracy deteriorates with the number of
antennas, to the point where simple model-based methods outperform them. This paper identifies a key cause of this behavior and addresses it. The mean angle of arrival (AoA) induces a phase ramp along the lags of the CCM. Since the oscillation rate of this ramp grows with the number of
antennas, a
dataset of fixed size becomes increasingly sparse relative to the variation that must be captured. We propose estimating the slope of this ramp from the UL CCM separately and mapping it to the DL band in closed form, leaving the learner with a residual that is largely insensitive to the mean AoA, which substantially reduces the performance degradation with an increasing number of
antennas. The proposed scheme, termed deramping, is a combination of pre- and post-processing steps that applies to learning-based conversion methods without altering their internal structure, as demonstrated on three structurally different learners. Simulation results show that deramping reduces the covariance estimation error of all three learners under uniform,
Laplacian, and Gaussian angular power spectra,keeps the interpolation-based learners ahead of a model-based
benchmark at large array sizes, and improves downlink channel estimation.
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Machine Learning
ALER: Adaptive Learnable Experience Rewriting for Reinforcement Learning
Oleg Shchendrigin, Egor Cherepanov, Aleksandr I. Panov et al. (+1 more)
In partially observable reinforcement learning (RL), a later observation can make stored information obsolete or change what it implies for the next decision.
Memory architectures and
benchmarks for RL mostly test retention, the ability to keep information unchanged until it is needed. We formalize two further requirements. Rewriting sets the decision-relevant content to a value independent of the old one, and experience fusion transforms the old content by a rule that a later observation specifies. For tasks built from such updates, we count the
memory states that a solution needs, and several baselines reach their lowest success rates on compositions that need more states. We introduce ALER (Adaptive Learnable Experience Rewriting), an
agent that pairs an LSTM with a slot
memory. An independently addressed Gumbel-Softmax write that concentrates its weight on one slot overwrites that slot, and a learned gate fuses the retrieved content with the recurrent state before the policy and value heads. We also introduce Rune-Mazes, three environments in which rune observations invert, cancel, reset, or repeat updates of a hidden cue under vector and pixel observations. Against seven baselines, ALER reaches a success rate of at least $0.82$ in all sixteen Endless T-Maze configurations and at least $0.99$ on all five Rune T-Maze compositions, and it has the highest mean success rate on four-branch Rune Multi-Corridor with an Invert rune. On pixel-based Rune MiniGrid
Memory, it has a higher mean success rate than PPO-LSTM in eight of ten configurations. Project page: https://quartz-admirer.github.io/ALER-Adaptive-Learnable-Experience-Rewriting/.
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All authors Oleg Shchendrigin, Egor Cherepanov, Aleksandr I. Panov, Alexey K. Kovalev
Machine Learning
Right In-Place (RiP) Convolution: A Simple, General, and Near-Optimal Strategy for Memory-Efficient CNN Inference
Opegbemi Matthias Busoye, Tolulope Matthew Busoye and Eghonghon-aye Eigbe
Activation
memory, not compute, limits CNN inference on constrained hardware such as microcontrollers. Direct in-place convolution removes the dual-buffer cost, but the
memory-optimal formulation of Gural and Murmann assumes valid padding, unit stride, unit dilation, and odd square kernels, and needs a non-sequential traversal costing $2\times$ inference time in transposes. We identify two regimes in which their published closed form does not hold: (1) an under-allocation of exactly $(k-1)C_{in} \bmod (C_{out}-C_{in})$ scalars, active on every convolutional layer of their own deployed network and manifesting as a silent corruption of still-live input; (2) an unbounded overestimate, up to $2{,}432\times$, once the critical leg leaves the output grid. We correct both and generalize to arbitrary stride, dilation, padding, and rectangular kernels. We then propose Right In-Place (RiP) convolution, a bit-identical operation in which every layer reads its input right-aligned in a shared workspace and writes its output left-aligned from index zero. The debt is piecewise affine in the output pixel index, so evaluating its breakpoints in $O(1)$ yields the minimum safe gap without enumerating the output grid, with row-major access preserved. Across $10{,}000$ random layers RiP produced no corruption, and across 84 convolutional layers from 25 architectures it matches the herringbone workspace exactly on 58 and within 5% on 81, using 24.8% less
memory than dual buffering on average. Written into TinyEngine's kernels and deployed to a Raspberry Pi Pico 1 and Pico 2, it cuts peak activation
memory across eleven MCUNet models by 12.5 to 33.3% at unchanged cycle counts and bit-identical outputs, raising the number of models that fit the Pico 1's 256 KB SRAM from six to nine.
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Machine Learning
From Task Mixtures to Specialized Experts
Hojat Allah Salehi, Mehrdad Mahdavi, Andrew Arash Mahyari et al. (+1 more)
In collaborative foundation model fine-tuning, client data is rarely homogeneous. Instead, clients typically possess unknown mixtures of distinct data distributions, or tasks. Conventional
federated learning primarily addresses heterogeneity across clients without explicitly resolving latent task mixtures within each client. We study this setting as compound heterogeneity, where data is heterogeneous both across and within clients. We study adaptation over a common frozen representation and show that, when tasks share the same feature geometry, the optimal model for a client's task mixture under squared loss is a convex combination of the optimal models for its underlying tasks. Thus, a single locally trained model represents the client's overall task mixture, while individual inputs may be drawn from different underlying task distributions. This motivates routing inputs to specialized experts, and we show that, when the task optima form a simplex, task-aligned routing achieves lower risk than any single adapted model for genuinely mixed clients. With access to a small set of task-labeled public samples, we derive a convex program to recover task experts and match them to their corresponding tasks. Our routing analysis shows that effective specialization requires input-dependent expert selection aligned with each client's task mixture. Motivated by this analysis, we propose FedSEE. Across our experiments, FedSEE avoids the negative transfer observed in the evaluated baselines and improves performance by 2.9 points overall and 3.7 points for the worst-served quartile.
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All authors Hojat Allah Salehi, Mehrdad Mahdavi, Andrew Arash Mahyari, M. Hadi Amini