Machine Learning
GARDiff: Graph-Aligned Residual Diffusion for Probabilistic Multivariate Time-Series Forecasting
Rui Han, Min Yang, Xu Zhang et al. (+3 more)
Diffusion models have recently shown strong potential for probabilistic multivariate time-series forecasting by modeling complex conditional distributions. Recent decoupled
diffusion frameworks further separate forecasting into deterministic prediction and
stochastic residual generation, making it natural to derive dependency graphs from deterministic representations and use them to guide residual
diffusion. However, we show that this direct structural transfer is unreliable. Although deterministic-derived graphs encode useful global dependency priors, they exhibit substantial edge-level misalignment with residual dependency structures, introducing inaccurate or redundant conditions during residual generation. This reveals a previously overlooked deterministic-to-residual structural
alignment problem in decoupled
diffusion forecasting. To address this problem, we propose GARDiff, a Graph-Aligned Residual
Diffusion framework for probabilistic multivariate time-series forecasting. Instead of treating deterministic-derived graphs as fixed
diffusion conditions, GARDiff progressively adapts them to residual generation. Specifically, GARDiff estimates residual uncertainty to distinguish high- and low-uncertainty regions, enabling uncertainty-aware structural refinement, and further performs timestep-aware edge sparsification during reverse
diffusion to evolve graph conditions from broad dependency aggregation to localized residual refinement. Extensive experiments on six real-world
benchmarks demonstrate that GARDiff consistently improves probabilistic forecasting performance and uncertainty calibration over strong baselines.
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All authors Rui Han, Min Yang, Xu Zhang, Xinghao Yang, Wei Liu, Yongshun Gong
Machine Learning · Cross-listed from cs.AI
Learning from Shared-Control Overrides: Context-Driven Acceleration Profile Prediction for Personalized Overtaking
Ruizheng Xu, Lounis Adouane, Javier Ibañez-Guzmán et al. (+1 more)
Adaptive Cruise Control (ACC) systems are typically calibrated for an average driver, often resulting in a mismatch between vehicle behavior and individual expectations during time-critical maneuvers such as highway overtaking. When the ACC is perceived as too conservative and inconsistent, drivers intervene through throttle overrides, providing implicit feedback on the system's behavior. This paper reframes these override actions as human-in-theloop supervisory signals and proposes a data-driven framework for personalized vehicle adaptation, termed Context-driven Personalized ACC (CoP-ACC). Rather than relying solely on end-to-end regression, which tends to over-smooth dynamic responses, we introduce a hybrid pipeline combining: (i) unsupervised hierarchical clustering to extract representative acceleration profiles from override events; (ii) a context classifier that maps pre-maneuver driving conditions to the appropriate profile; and (iii) a residual regressor that refines the selected profile into a smooth, personalized acceleration profile tailored to the immediate context. Evaluated on real-world public-road data against a withheld forced-ACC baseline, the approach demonstrates high reconstruction fidelity and generates acceleration profiles that tend toward the driver's expected behavior in potential override contexts. The results highlight the potential of learning from shared-control overrides to enable anticipatory, personalized ACC behavior, reducing manual interventions and improving ride comfort.
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All authors Ruizheng Xu, Lounis Adouane, Javier Ibañez-Guzmán, Clément Zinoune
Machine Learning
When Models Don't Manipulate Manifolds: The Geometry of a Comparison Task
Sai Sumedh R. Hindupur, Hadas Orgad, Thomas Fel et al. (+1 more)
One of the current premises of mechanistic interpretability research is that detailed accounts of the geometry of neural network representations can tell us how models perform computations, and how to effectively intervene on them. While low dimensional
manifolds have been observed for multiple concepts in the literature (e.g. numbers encoded on helices, days of the week on a circle, ...), with structure believed to reflect properties of data and tasks, the extent to which models rely on them for computation, and how they manipulate them, remains unclear. We characterize precisely the geometry of computation in a number-comparison task, as an abstraction of comparison for decision making, and how models utilize geometry in an elegant fashion to implement it. Specifically, we study the causal geometry of number comparison in Qwen2.5-7B-Instruct, a capable and widely studied open-weight model, and find Qwen largely uses linear representations of numbers despite the presence of curved geometry. To compare two numbers, the model first encodes each number along a vector and adds the two representations using
attention and the residual connection, bringing them into a shared space in the residual stream. Then, the model uses MLP
neurons to compare the pair of numbers on local regions in this shared space, which correspond to smaller intervals of input numbers, and combines these to obtain the position of the maximum. In fact, this reliance on linear representations for comparison also persists when the model compares three numbers. Our findings demonstrate that the
manifold hypothesis can co-exist with linear representations: while concepts that are ordered may have
manifold structure in representations, the model may use an underlying linear structure of the concept in certain computations.
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All authors Sai Sumedh R. Hindupur, Hadas Orgad, Thomas Fel, Demba Ba
Machine Learning · Cross-listed from cs.RO
Learning Expressive and Compositional Motion Representation via Spectral Skills
Feiyang Wu, Chenxiao Gao, Chen Yang et al. (+3 more)
Robotic foundation models offer a promising path toward general-purpose humanoid
robot control, often through hierarchical architectures. However, their effectiveness depends on the command interface between the planner and the controller, which must support accurate execution while remaining easy to predict, and ideally allow new behaviors to be composed from prior ones. In this work, we introduce spectral skills, a latent representation of this interface that meets these requirements through predictive representation learning. By design, spectral skills compactly encode short motion segments and are learned by predicting subsequent motion rather than reconstructing the encoder input. On a 29-DoF humanoid, a controller conditioned on spectral skills reduces global tracking error by 62% relative to the state of the art. The same frozen controller chains independently encoded skills without a separate transition policy. It also composes new behaviors by adding orthogonal directions to any compatible base skill, producing combinations unseen in the training data. We demonstrate tracking, chaining, and composition, as well as control through a
language-conditioned planner, on Unitree G1 hardware. Project page: https://spectral-skill.github.io
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All authors Feiyang Wu, Chenxiao Gao, Chen Yang, Ye Zhao, Bo Dai, Anqi Wu
Machine Learning
LEMON-ZEST: Evolution-Informed Tokenization for Efficient Protein Language Modeling
Biswajit Banerjee, Claudia Alvarez Carreno and Anton S. Petrov
Protein Language Models (PLMs) have made remarkable progress following scaling laws established in natural
language processing across sequence- and structure-based tasks, yet the potential of tokenization remains underexploited. Unlike human
language,
proteins preserve structure despite extensive sequence variation a property standard tokenization strategies fundamentally fail to capture. We introduce ZEST (Zoned Encoding of Sequence Traits), an
evolution-informed vocabulary derived from conserved regions of multiple sequence
alignments. ZEST allows
embedding domain-level biological priors directly at the tokenization stage rather than learning them implicitly through scale. ZEST natively compresses sequences to an average
token length of 4 residues, enabling our model to process 4,000 residues within a standard 1024-
token context window. Building on this, we present LEMON (Layered Extraction of Molecular Ordering from Nature), a compact 200M-parameter sequence-based model for detection of remote homology between
protein sequences trained on a single H100 GPU for one week. Despite its modest size, LEMON outperforms state-of-the-art models ranging from 600M to 3B parameters. Our results demonstrate that
evolution-informed tokenization can substitute for massive parameter scaling, opening a new direction for efficient, biologically-grounded
protein representation learning. All code, model weights, and results are publicly available under the MIT license.
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Machine Learning
Where Privacy Belongs: Placement Diagnosis and Certified Selection for Private Counterfactual Explanations on Graphs
Yuxiang Yao and Zijun Zhao
Counterfactual explanations for graph neural networks (GNNs) find the minimal intervention that flips a node's prediction–but computing one requires reading sensitive graph structure, and releasing it discloses that structure. Both existing placements fail. Privatizing the graph before explaining corrupts the target on exactly the borderline nodes needing recourse, manufacturing spurious flips that flip the privatized graph but not the true one. Explaining on the clean graph and perturbing the released explanation resists certification: re-auditing the standard heuristic shows an implied full-release budget of 573–753 on Cora and 256 on CiteSeer–orders of magnitude beyond its advertised budget–with worst-case single-entry leakage at AUC 1.0. We propose PrivCFS, which replaces certification-by-optimization with certification-by-construction: counterfactual selection over a fixed, data-independent candidate universe–edge interventions from a public prior graph, feature interventions from a public schema–whose no-op semantics give neighboring graphs the same output support. A validity-gated, clipped utility of global sensitivity $\Delta u \le 1$ released through the exponential mechanism gives pure $\varepsilon$-DP for the complete released object, composable over queries–to our knowledge the first such guarantee on graphs.
Privacy noise is the cheapest stage: at $\varepsilon$=8 the release retains 94–97% of its support-restricted non-private optimum on the recourse population and 83–95% on the general one; the optimal edge-inference audit attains AUC 0.50 on average and 0.59 worst-pair, versus the heuristic's worst entry 1.0; and transfers to a 15K-node graph at 0.96 valid rate. The dominant cost is a measurable, monotone price in public disclosure, readable off one table before any budget is spent–turning explanation
privacy from an accounting risk into a purchasable decision.
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Machine Learning
Learning Causal Normalizing Flows from Incomplete Data via Observed-Data Likelihood
Trung-Dung Hoang, Alceu Bissoto, Tim Flühmann et al. (+4 more)
Causal Normalizing Flows (CNFs) enable causal inference from observational data given the causal structure, but they assume fully observed training data. We introduce MissCNF, which trains CNFs directly on incomplete data by maximizing the marginal likelihood of each partially observed sample, without discarding rows or constructing a completed
dataset. Thanks to the causal structure encoded in the autoregressive factorization of CNFs, only missing variables in the ancestral closure of the observed set are integrated out, while the others are dropped without computation. We further establish the conditions under which MissCNF recovers the true joint distribution, and introduce causal-family positivity, where identification is possible even when no record in the
dataset is ever complete. We compare MissCNF with two common strategies for handling missing data: listwise deletion and impute-then-fit pipelines. Across eight synthetic causal
benchmarks, three missingness mechanisms, and missing rates up to $90\%$, MissCNF achieves the lowest KL divergence in 23 of 24 nonlinear MCAR and MAR settings and in all nonlinear MNAR settings, as well as the lowest counterfactual error in 20 of 24 settings. On linear SCMs, where linear imputation performs best, MissCNF ranks in the top two in 22 of 24 settings.
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All authors Trung-Dung Hoang, Alceu Bissoto, Tim Flühmann, David Herzig, Christos Nakas, Lia Bally, Lisa M. Koch
Machine Learning
Nonpreemptive Scheduling While Learning Context-Dependent Service Rates
Wansoo Choi, Seoungbin Bae and Dabeen Lee
We study nonpreemptive contextual queueing bandits in a single-server system. Each job is represented by a $d$-dimensional context vector; in each round, a job may arrive with its context drawn from an unknown distribution $\mathcal{D}$, and its departure probability is determined by a logistic model of that context vector with an unknown parameter $\theta^*$. The server learns from service outcomes while deciding which waiting job to serve and whether to idle, aiming to minimize queue-length regret, the gap between its expected terminal queue length and the minimum achievable by an admissible policy. Once selected, a job must be served until completion, and we refer to this as the nonpreemptive setting. A central challenge is that, even with full model knowledge, the optimal policy cannot in general be characterized by a simple myopic rule, since the optimal action can change with the remaining horizon at the same queue state. Nevertheless, when the model and horizon are known, the optimal action can be obtained through a finite-horizon Bellman recursion. Motivated by this, we propose Learn–Clear–Plan (LCP), which estimates the system and uses the resulting Bellman recursion to make horizon-dependent decisions. LCP achieves $\widetilde{O}(\sqrt{d/T})$ queue-length regret, while a lower-bound construction gives $\Omega(\min\{1/\sqrt{d},\sqrt{d/T}\})$ regret for every learning policy on some instance, establishing optimality up to polylogarithmic factors when $T\ge d^2$. When the horizon is unknown, no horizon-independent policy achieves vanishing regret against the finite-horizon optimum. We therefore use SEPT, the policy that serves a waiting job with the highest probability of departure, as a fixed reference, and suggest an estimated-SEPT
algorithm that achieves a tracking error of $\widetilde{O}(\sqrt{d/t})$ without knowing the model.
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Machine Learning · Cross-listed from cs.CV
Are In-Context Images Worth 10 Dimensions?
Adhemar de Senneville, Xavier Bou, Jérémy Anger et al. (+2 more)
There has been significant work on understanding the In-Context Learning capabilities of Large
Language Models, especially on the induction
circuit. For a few-shot classification task, the induction
circuit leverages linear representations of each labeled example in-context in order to classify an unlabeled query. However, few works focus on how those linear representations are built in the first place. Leveraging the expressivity of the
vision modality compared to text, we uncover a Shared Discriminative Geometry (SDG) inside Large
Vision Language Models (LVLMs). It is a low-dimensional space, shared across all image classification tasks, in which in-context images are compressed into linearly separable representations later used to perform classification. We observe that this is the result of the model performing a dimensionality reduction of
vision representations in early layers. In order to explain this phenomenon: (1) We show analytically that linear self-
attention can perform a dimensionality reduction by projecting in-context data onto its principal components, with each layer implementing one gradient descent step toward this objective. (2) We provide evidence that trained LVLMs reduce the dimensionality of
vision representations in early layers via a similar mechanism.
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All authors Adhemar de Senneville, Xavier Bou, Jérémy Anger, Rafael Grompone, Gabriele Facciolo
Machine Learning
RACE: Relation-Level Counterfactual Explanations for Heterogeneous Graph Neural Networks
Yuxiang Yao and Zijun Zhao
Counterfactual explanations of graph neural networks identify edge deletions that flip a prediction. On heterogeneous graphs, however, existing methods first collapse the graph into untyped edges, so they cannot answer the question a domain expert actually asks: which relation type drives this prediction? We present RACE (Relation-Aware Counterfactual Explanations), which gives this question an exact, per-instance answer. For every explained instance, an exhaustive search over relation subsets returns the certified minimum relation-deletion set that flips the prediction – or an explicit report that no such deletion exists; each relation-level answer is then refined into a typed edge set within the attributed relations, verified on the discrete model by single-edge restoration. The relation-level answer is exact and deterministic given the frozen backbone, whereas soft-mask baselines vary by 6-8 pp in success rate across runs differing only in random ordering. On ACM, a Cora-derived graph, and ogbn-mag, RACE improves counterfactual success rate over the strongest baseline by up to +2.7 pp while deleting fewer edges, and attains the highest success rate among all same-task baselines on every
dataset; the advantage reproduces across four backbones on ogbn-arXiv and on DBLP, with cross-seed relation-set agreement up to 0.89. A synthetic study with known generating mechanisms confirms that the search recovers the relation the trained model actually relies on – and reports infeasibility rather than fabricating an attribution when the model has learned none – so the explanations stay trustworthy exactly where explanations matter.
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Machine Learning · Cross-listed from stat.ML
A Finslerian Approach for Embedding Directed Data
Gwendal Debaussart-Joniec, Théau Blanchard and Argyris Kalogeratos
Many
datasets carry an intrinsic directionality: citations point backward in time,
cells differentiate along lineages, and traffic follows preferred routes. Spectral
embedding methods, including most of their extensions to directed graphs, discard this information: they symmetrize the data and map it into a Euclidean space where asymmetry cannot be represented. We instead model directed data as sampled from a Finsler
manifold, whose distance depends on the direction of travel, and study the kernel operator built from this asymmetric distance. Through a moment expansion of this operator, we show that its symmetric and antisymmetric parts separate geometry from direction. As the bandwidth of the kernel vanishes, the symmetric part converges to a weighted
Laplacian, recovering
diffusion maps in the Riemannian case, while the antisymmetric part converges to a first-order transport operator that encodes the directionality. We prove that the corresponding graph operators, built from finitely many samples, converge uniformly and almost surely to these limits. For Randers metrics, this vector field is explicit and yields an
embedding algorithm recovering both the
manifold structure, from the spectrum of the symmetric part, and the underlying drift. We illustrate the approach on synthetic directed graphs and point-clouds.
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Machine Learning · Cross-listed from cs.AI
Flattening the Connectome Spectrum: A Spectral Filter for FC Induces a Pretraining Target for fMRI Encoders
Giovanni Marraffini, Victoria Shevchenko, Carlo Alberto Barbano et al. (+1 more)
Self-supervised pretraining reshaped prediction in
language and
vision, and
brain foundation models (BFMs) inherited its promise. Representations learned from large unlabelled corpora should capture individual functional dynamics and generalise across cohorts. However, kernel ridge regression (KRR) fitted on functional connectivity (FC)
matrices still predicts individual phenotypes more accurately than any BFM we tested. In this paper, we show that KRR is weighted by the
eigenvalues of the FC which are miscalibrated for phenotype prediction. We apply an efficient spectral filter to recalibrate the
eigenvalues of each subject's FC
matrix, enabling the model to exploit more inter-individual variance. Across the 5
datasets, 11 parcellations and 6 prediction targets we tested, we match or exceed the KRR baseline. Based on this finding, we then pretrain a small encoder model on about 4,000 hours of fMRI from 162 open
datasets, whereby we align the pairwise similarities between the
embeddings of recording snippets with those between the recalibrated connectomes. Our model performs on par with the best of the 6 published BFMs we tested while having an order of magnitude fewer parameters. Our encoder performs better than FC on short scans and in smaller cohorts, especially in fingerprinting. We release the pretrained model weights, the code and the pretraining data, preprocessed and parcellated.
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All authors Giovanni Marraffini, Victoria Shevchenko, Carlo Alberto Barbano, Demian Wassermann
Machine Learning
RLTLDR: Self-improvement by Internalizing Self-generated Feedback
Michael Kirchhof, Eleonora Gualdoni, Andrew Szot et al. (+6 more)
The common paradigm of reinforcement learning with verifiable rewards (RLVR) is to let
agents make multiple attempts at a task, and optimize towards the successful ones. This becomes problematic in the realms of self-improvement, where tasks are so difficult that the
agent has a low or even no chance of success, and where there are no teacher models or example solutions to distill from. In this paper, we introduce RLTLDR. After each failed attempt, we show the policy the verifier outputs and let it write its own feedback, in the form of a single TL;DR insight. The next rollout is conditioned on all previous insights, and we sequentially sample rollouts until a solution is found. Moreover, we enable backpropagation on the in-context insights to internalize a direct task to insight mapping. On challenging tool-calling and coding
datasets (filtered to Pass@128=0), standard GRPO training of a Qwen 3.5 9B Thinking policy stays flat at a Pass@1 of 0% to 1%. RLTLDR breaks through this learning barrier, achieving a Pass@1 of 14-31% with insights in context during training and, crucially, 12-13% when no insight is in context at eval time. We identify that the key is the task to insight internalization. To study this further, we reduce our approach to SFTLDR, training only on (task, insight) tuples, without showing or backpropagating on any rollouts. Training on only 4k of these tuples recovers almost the full performance of RLTLDR and classical SFT on full rollouts. This demonstrates a promising compacted training paradigm of the form "on this sort of task, keep this sort of thing in mind", which we hope to inspire future research on.
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All authors Michael Kirchhof, Eleonora Gualdoni, Andrew Szot, Khashayar Gatmiry, Aryo Lotfi, Abbas Kazerouni, Omar Attia, Sanjoy Chowdhury, Alexander Toshev
Machine Learning
ProCTI: Prototype-Refined Global Conditioning for Diffusion-Based Time Series Imputation
Fariza Rashid, Duc Van Le, Rahat Masood et al. (+3 more)
Time series imputation has progressed from statistical and deep learning approaches to
diffusion-based models, which have shown strong recent performance. Existing
diffusion-based methods typically condition the reverse process using local contextual information from the current or neighbouring windows. Meanwhile, global
dataset-level structure often remains implicit, limiting performance when local observations are sparse, noisy, or unrepresentative. To address this issue, we propose ProCTI, a
diffusion-imputation framework that augments local conditioning with retrieved global
dataset-level priors through learned prototypes. A hybrid conditioning mechanism integrates this global context with local signals during reverse
diffusion, enabling more accurate reconstruction under varying missingness scenarios. Experiments across multiple
benchmark datasets show that ProCTI outperforms strong baselines overall under random missingness, while remaining competitive under attribute-wise missingness. Furthermore, we use a latent-regime data model to characterise the precise conditions under which prototype-derived global conditioning provably improves imputation. We support this with a general theoretical analysis of local-global conditioning.
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All authors Fariza Rashid, Duc Van Le, Rahat Masood, Gustavo Batista, Aruna Seneviratne, Suranga Seneviratne
Machine Learning
Procedural Core: A Compact Recurrent Initialization for Vision Transformers
Zachary Shinnick, Christian Internò, Hemanth Saratchandran et al. (+2 more)
Transformers are typically trained from random initialization, requiring all their capabilities to emerge from large-scale optimization. Recent work showed that a small amount of abstract procedurally generated data can help acquire generic inductive structure at low cost. However, this adds a pretraining stage that must be repeated for every target model. We propose Procedural Core, an initialization strategy that captures this generic structure into a compact set of weights that can be reused across models. We train a minimal recurrent
transformer on procedural data, then expand its weights to initialize
transformers of arbitrary width and depth. The resulting initialization improves performance on image classification, self-supervised visual learning (DINO), and modeling natural
language (FineWeb-Edu) and code (CodeParrot). For image classification, expanding a 1M-parameter core to initialize an 85M-parameter ViT-Base improves ImageNet top-1 accuracy by 2.2 pp over standard random initialization. Our analysis identifies recurrence as essential for learning compact weights that transfer across models. In ViTs, we localize a key benefit in the suppression of high-norm
tokens that produces substantial improvements in zero-shot segmentation (ImageNet-S mAP 32.3 to 42.9), object localization (VOC07 CorLoc 9.9 to 18.4), and depth estimation (NYUv2 RMSE 1.104 to 0.998). This demonstrates that
transformers need not start from a blank slate, and can be initialized with generic capabilities at low cost with no domain- or task-specific data.
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All authors Zachary Shinnick, Christian Internò, Hemanth Saratchandran, Anton van den Hengel, Damien Teney
Machine Learning · Cross-listed from cs.CL
Correct, Don't Delete: Mitigating Emergent Misalignment with Corrective Supervision
Jacob Epifano
Fine-tuning a
language model on a narrow set of harmful demonstrations, such as bad medical advice, can make it broadly misaligned on unrelated questions, a phenomenon known as emergent misalignment (EM). The usual defense is to find the offending rows and delete them, but a row locator failed our held-out test and deleting rows helps less than expected. We ask a different question: given a fixed set of poisoned rows, is it better to correct them than to remove them? We fine-tune Qwen2.5-14B-Instruct on a mixture of bad medical advice and benign chat data, select a quarter of the poison rows in advance, and either delete them or replace each with a corrected answer to the same
prompt, keeping everything else the same. Replacing the rows cuts the EM rate by about a third and improves answers on held-out medical questions, while deleting the same rows has little measurable effect. The advantage is larger when half the poison rows are corrected, and it holds on a second base model and a second misaligned model organism. The content of the replacement appears to matter: paraphrasing the rows while keeping their bad advice shows no clear benefit, and the correct answers distributed with the
dataset appear to do about as well as our rewriter's. Realigning an already-poisoned model with further fine-tuning is known to work, but which data does the work has not been compared directly. We find that a short round of training on corrections beats the same amount of training on generic chat data, that corrections on other medical
prompts do roughly as well as corrections of the poisoned
prompts themselves, and that instructing the correction writer to model a careful, harm-avoiding assistant adds no measurable benefit over plain corrections. In the settings we tested, correcting harmful training data reduces EM more than deleting it.
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Machine Learning
Authority Bias in Language Models: Source Deference and User Agreement Are Not Interchangeable
Abhinav Rajeev Kumar and Paras Chopra
Language models tend to agree with whatever a user asserts, and post-training increasingly targets this sycophancy so that models evaluate claims on their merits rather than deferring to the user. Yet the same models are far more compliant when a wrong answer is attributed to a verified source, which is how
retrieval results, tool outputs, and grounded-search content often present information. We measure this gap across five open-weight families and three closed APIs. A single verified-source note endorsing a wrong answer flips 45-88% of baseline-correct responses in seven of eight models, and compliance rises with how authoritative the note sounds. Source deference and user agreement are not behaviorally interchangeable inside the model: on matched items with the same wrong answer, causal interventions can selectively suppress one without equally affecting the other. In three open-weight families, removing a fitted source direction lowers source compliance by 65-80 percentage points while removing a user or assistant direction has far smaller effects, and removing the user direction shows the reverse preference. A separately fitted intervention derived from source-versus-user cue activations moves compliance in both directions while leaving the
prompt text unchanged. An authority direction fitted on trivia also transfers to PIQA and multi-turn SYCON dialogues without refitting, and removing it lowers wrong-source compliance by tens of percentage points in four of five families with no detected change in MMLU-Pro or GSM8K accuracy at our evaluation sizes. Source deference and user agreement therefore need separate evaluation.
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Machine Learning
PHASE: Multi-Regime Modeling of Incompressible Magnetohydrodynamics
Radhika Achikanath Chirakkara, Rajdeep Haldar, Zezheng Song et al. (+1 more)
Magnetohydrodynamics (MHD) is central to
plasma modeling in astrophysics, space science, fusion, and engineering, but resolving multiscale MHD dynamics is computationally expensive. Machine-learning surrogates enable fast inference by learning reusable solution operators, yet existing models require separate training for each physical regime, limiting generalization across varying parameter settings. We introduce PHASE, a PHysics-Adaptive Scalable operator with residual Error correction, designed to model incompressible MHD across varying physical parameters with a single model. PHASE combines transfer learning, regime-aware adaptation, physics-centered learning, and residual refinement to improve both physical fidelity and generalization across MHD regimes. Together, these improvements achieve state-of-the-art prediction accuracy on two-dimensional MHD
turbulence by reducing relative $L_2$ errors on physical fields by more than an order of magnitude compared to prior MHD neural-operator baselines. Moreover, PHASE generalizes successfully to unseen parameter values without retraining, demonstrating the cross-regime adaptability expected from operator learning. We evaluate PHASE beyond point-wise prediction errors using derived physical fields, spectral analysis, and distribution statistics, consistently observing improved physical fidelity. We further show that our framework can accurately simulate MHD instabilities by testing it on the Kelvin–Helmholtz instability, demonstrating the robustness of our method.
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All authors Radhika Achikanath Chirakkara, Rajdeep Haldar, Zezheng Song, Jiequn Han
Machine Learning · Cross-listed from cs.CV
TomoTransformer: Towards a Foundation Model for CT Reconstruction
AmirEhsan Khorashadizadeh and Benjamín Béjar
Supervised deep learning has advanced sparse-view tomographic reconstruction. However, conventional models, which typically map filtered back-projection (FBP) images or sinograms to clean reconstructions, are brittle under distribution shifts. Because they require retraining whenever projection counts and angles, detector resolutions, or data distributions change, their deployment in real-world applications remains limited. To address this, we introduce TomoTransformer, a
transformer-based architecture that treats each local filtered projection as an individual
token and predicts missing views via self-
attention. Crucially, TomoTransformer operates in a back-projection space that separates projections across spatial locations, making view interpolation geometrically well-posed and invariant to detector size. This design yields a single foundation model that can process any number of input projections, at arbitrary angular locations and detector dimensions, and query any number of target angles without retraining. Trained on a large-scale
dataset spanning diverse medical CT anatomies and natural images, TomoTransformer generalizes effectively across anatomies, materials, and resolutions. Extensive evaluations on several
benchmark sparse-view
datasets show that TomoTransformer significantly outperforms concurrent multi-purpose models like ViewTrans and matches or exceeds strong protocol-specific baselines, while remaining fully agnostic to the number of input and target projections. Furthermore, the model demonstrates robust zero-shot generalization on real experimental nanoscale
brain data collected from an X-ray synchrotron, showcasing its practical utility for real-world applications.
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Machine Learning
GraphVQ: Structure-Aware Autoregressive Decoding over Context-Quantized Graph Tokens
Yuxiang Yao and Zijun Zhao
Graph foundation models need a discrete
token representation, but casting a graph as a generatable
token sequence faces a structural obstacle: edges spanning beyond the serialization window cannot be emitted in one pass–so one-pass autoregressive generators systematically under-produce cycles–and a single global condition cannot tell candidate edges apart. GraphVQ removes both obstacles: node contexts–features plus a local edge mask under multi-order breadth-first serialization–are quantized into a shared codebook by a VQ-VAE with BCE-calibrated Bernoulli edge decoding, and a second-stage structure-aware decoder emits the global adjacency conditioned on
token-derived pair features, whose necessity over any global-summary condition is formalized in a scoped impossibility result. The tokenizer reconstructs node features at 0.86–0.99 accuracy and decodes local edges at AUROC >= 0.89 (ECE <= 0.007). Under one same-split protocol on four
datasets, pair conditioning improves orbit MMD 0.248 -> 0.174 on
PROTEINS and 3.4x on a ring stress test, and vanishes on a random-label control–the signature of attribute–
topology coupling–so the gain is claimed exactly where attributes carry edge-relevant signal. GraphVQ ranks first among learned generators on
PROTEINS, ties for first on SYN-COMM, and improves orbit MMD 2.7–17x over one-stage generation on three
datasets, with seed-level bootstrap intervals confirming the rankings are not seed noise; on MUTAG the unweighted edge target under-generates and is reported as such. These results locate the structural control of autoregressive graph generation in the granularity of the condition: pair-level
token context turns a quantized vocabulary into a usable capacity axis for distribution-faithful graph generation and future
token-level pretraining.
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Machine Learning · Cross-listed from cs.RO
BlenDAgger: Blended Shared Control for Interactive Imitation Learning
Cailyn Smith, Geoffrey Sun, Henny Admoni et al. (+1 more)
Robot policies are frequently trained from human corrections, yet teleoperating a
robot to provide corrections is burdensome, and human demonstrators are not always optimal. We propose Blended DAgger (BlenDAgger), an approach for collecting data to train imitation learning policies by using shared control to blend the policy's and demonstrator's actions during interventions. By blending human and policy actions, we aim to improve the autonomous performance of manipulation policies. We validate our approach across five manipulation tasks, two in the real world and three in simulation. Our approach achieves higher autonomous performance by 30 or more percentage points on two real-world tasks compared to a typical human-gated correction approach (HG-DAgger). We also investigate the advantages of BlenDAgger that allow for higher autonomous performance, finding that BlenDAgger results in 57% smoother transitions between policy control and human interventions, and 14% higher trajectory similarity to the training data. In a user study (n=14) on two real-world tasks, we find that BlenDAgger results in faster data collection (BF=13.32), and we do not find a difference in subjective perceptions. These results show that blended shared control leads to higher autonomous performance compared to typical methods for fine-tuning
robot policies from fully teleoperated interventions.
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All authors Cailyn Smith, Geoffrey Sun, Henny Admoni, Zackory Erickson
Machine Learning
ReLMem: Learning Recurrent Memory for Longitudinal EHR Modeling
Zijie Meng, Xiwei Dai, Yingying Zhang et al. (+3 more)
Longitudinal electronic health record (EHR) modeling requires integrating new visits with an expanding patient history. Yet the continual accumulation of clinical information imposes increasing computational and
memory costs on large
language models (LLMs) when they process and retain complete patient histories. A practical alternative is visit-wise recurrent compression, which incorporates each incoming visit into a compact, continually updated patient
memory. However, under a fixed
memory budget, successive updates must integrate new information without progressively losing critical historical evidence needed to subsequent tasks. To address this challenge, we introduce Recurrent Longitudinal
Memory (ReLMem), a framework that learns to maintain fixed-capacity patient
memory for efficient downstream prediction with a frozen LLM. ReLMem equips this LLM with lightweight compression adapters to recurrently update the
memory from its previous state and each incoming visit, without rereading earlier records. Specifically, we develop a multi-granularity optimization strategy to preserve task-relevant information throughout recurrent updates and support downstream prediction from the final
memory. The intermediate supervision aligns
attention outputs from compressed
memory and the full history under identical queries, while prediction supervision minimizes cross-
entropy with ground truth answers conditioned on the final
memory. On EHR-based medication prediction, ReLMem approaches the F1 scores of full-history baseline while reducing average retained historical storage by 97.1%. Under the same
memory budget, it improves macro- and micro-F1 over the strongest compressed-
memory baseline by 4.66 and 4.75 percentage points, respectively. These results highlight the value of learning recurrent patient
memory for efficient longitudinal EHR modeling.
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All authors Zijie Meng, Xiwei Dai, Yingying Zhang, Jian Wu, Xian Wu, Zuozhu Liu
Machine Learning · Cross-listed from stat.ML
Ornstein-Uhlenbeck Is Hard to Beat, Yet Superlinear Drift Ships Lower Transport Costs
Attila Lovas and Lóránt Nagy
Brešar and Mijatović \cite{bresar2025} show that Ornstein–Uhlenbeck
diffusion is hard to beat in forward convergence under assumptions that exclude superlinear drift. We instead test superlinear Langevin
diffusions for score-based image generation, computing their conditional scores numerically from a Fokker–Planck equation. In our experiments, the superlinear models beat the Ornstein–Uhlenbeck baseline on empirical Wasserstein distance across nearly the entire tested grid and show less variation across
diffusion horizons. The “hard to beat” verdict of \cite{bresar2025} thus fails to be universal.
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Machine Learning · Cross-listed from cs.IT
On Task Scope and Information Retention in Source Coding
Alireza Furutanpey and Kerstin Bunte
We argue that dividing codec design into Coding for Machines (CfM) and Coding for Humans (CfH) is a misleading distinction for deciding what information a codec may discard. Receiver identity does not determine admissible information loss. The required rate depends on task scope, including the predictions to support, their losses and tolerated risks, the encoder observation, and the permitted decoding procedures. Notably, a machine task may have a higher minimum rate than a restricted human decision. Rate savings on selected machine tasks apply only to the stated requirements, not to an intrinsic ordering by receiver type. We extend source and feature coding to finite task families, derive when restricting the encoder observation preserves the minimum rate, and show that equality between source and split-feature coding rates can no longer hold as the task scope expands.
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Machine Learning
A Model-Agnostic Physics-Guided Adapter for Few-Shot Transfer of Coastal Flood Prediction Models to Unseen Regions
Bilal Hassan, Areg Karapetyan and Samer Madanat
Deep learning surrogates can produce high-resolution coastal flood maps orders of magnitude faster than physics-based hydrodynamic simulators, yet transferring them to new coastal regions remains costly, since generating target-region data for fine-tuning typically requires numerous time-consuming simulations. To tackle this bottleneck, we introduce the Physics Adapter (PA), a compact, architecture-agnostic adaptation interface that enables efficient few-shot transfer of flood prediction models across diverse coastal regions. PA predicts peak water level through a differentiable wet/dry response that compares terrain elevation against a learned water level, and blends this physics-structured prediction with a data-driven branch through a learned gate. Unlike physics-informed formulations, PA imposes no PDE-residual or conservation losses and instead exploits elevation as an architectural inductive bias, adding a negligible number of trainable parameters. We integrate PA into 12 heterogeneous models, and evaluate them on two coastal regions with markedly distinct geometries, topographies, and shoreline protection configurations. The performance of PA is benchmarked against a no-physics baseline, full fine-tuning, and standard parameter-efficient fine-tuning (PEFT) methods, considering both within-region generalization to unseen sea level rise values and between-region transfer. In low-shot regime (K=3), and averaged over all backbones and transfer settings, adding PA reduces root mean square error by 11.5% when only the output head is adapted on a frozen backbone, by 15.4% when combined with PEFT methods, and by 22.9% under full fine-tuning, compared to matched configurations without PA. Taken together, the findings of this work offer practitioners a concrete recipe for extending DL-based coastal flood predictors to new, data-scarce regions.
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Machine Learning
Benchmarking graph-based models for in-silico toxicity prediction in drug discovery
Noel Suarez-Barro, Manuel Lama and Juan C. Vidal
Drug discovery is a costly and high-risk process, where toxicity-related failures remain a major cause of attrition in both preclinical and clinical stages. As a result, accurate early prediction of chemical toxicity is essential to reduce downstream costs and improve compound prioritization. In this context, graph deep learning (GDL) has emerged as a powerful paradigm for toxicity prediction, leveraging molecular graph representations to learn directly from chemical structure with improved expressivity over traditional approaches. Despite the growing number of proposed models, current literature-based comparisons are often difficult to interpret due to inconsistencies in
datasets, preprocessing pipelines, and evaluation protocols. To address this limitation, we introduce a unified and standardized benchmarking framework for GDL-based toxicity prediction. We systematically evaluate more than 20 representative approaches under consistent experimental conditions and across multiple
datasets and partitioning strategies, enabling a fair and reproducible comparison of model performance. In addition, we complement this empirical study with a structured literature analysis to contextualize existing methodological trends and performance claims. Our results provide a clearer and more reliable assessment of the current state of the field, highlighting both the strengths and limitations of existing graph-based approaches. To support transparency and reproducibility, we release our benchmarking framework as open-source software https://gitlab.citius.gal/noel.suarez/benchtox, allowing the community to evaluate and compare models under consistent conditions.
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Machine Learning · Cross-listed from eess.SP
End-to-End Optical Semantic Communication over a Nonlinear WDM Fiber Link
Hussein Jammal, Andrea Bianco and Cristina Rottondi
Emerging optical-network applications increasingly use received data for inference and control rather than exact source reproduction, creating an opportunity to trade bit-level fidelity for greater transmission reach and efficiency. We propose an end-to-end optical semantic communication system for joint image classification and reconstruction over a nonlinear wavelength-division multiplexed (WDM) fiber channel. The system maps each image directly into a fixed-length sequence of channel symbols that preserves task-relevant information, without explicit source compression or channel coding. Experiments on the MNIST
dataset cover launch powers from -9 to +3 dBm, fiber lengths up to 800 km, and 16-, 64-, and 256-Quadrature Amplitude Modulation (QAM) formats. At 0 dBm, classification accuracy remains between 98.92% and 99.31% across all tested link lengths and modulation orders, while requiring fewer transmitted symbols than a Low-Density Parity-Check (LDPC)-coded JPEG baseline at every tested modulation order. These results show that semantic communication can simultaneously extend optical reach and reduce transmission resources by conveying only task-relevant information.
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Machine Learning
Why Adaptive Optimizers Underestimate Rare Tokens
Sangsidhya Kar
In the softmax output layer, a rare
token receives a small positive logit gradient on most steps and a much larger negative gradient on the few steps when it is the target. SGD simply adds these contributions. Coordinate-wise adaptive methods such as Adam, RMSProp, and sign descent instead divide each update by a running estimate of its magnitude, and that estimate is largest immediately after the
token appears. This imbalance has two effects. At the level of the whole output layer, we characterize which optimizers preserve the mean output
embedding: every method whose update is linear in past gradients does, as do Kronecker-factored and orthogonalized methods such as Shampoo and
Muon. Adam, Adafactor, Lion, and sign descent do not, and for these methods we obtain an exact step-by-step expression for the change. At the level of an individual rare
token, the same normalization shifts the training fixed point. In the unigram model, sign descent lowers the logit of every
token that occurs in fewer than half of the minibatches at a constant expected rate. For RMSProp with periodic arrivals, we can solve the fixed point in closed form: if a
token is absent for at least two consecutive minibatches, its
equilibrium probability is strictly below its data frequency for every learning rate, and the ratio tends to $\kappa/(2(e^{\kappa/2}-1))$. Here $\kappa$ is the mean number of steps between occurrences divided by the second-moment time constant $1/(1-\beta_2)$. In the same model, SGD and AMSGrad retain the unbiased fixed point. We test these predictions both in a unigram model and in a small
language model trained from a known generating distribution. With random arrivals, the bias is larger than the periodic formula predicts; in the
language model, the optimizers with the biased fixed point also fit the generating distribution less well.
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Machine Learning · Cross-listed from cs.CV
Principled MAP estimation for inverse problems: bridging the gap between convergence and performance
Alexandre Lagier, Valentine Tosel, Anne Gagneux et al. (+2 more)
Pretrained denoisers provide a powerful way to incorporate image priors into restoration
algorithms. Plug-and-Play and RED approaches exploit fixed-noise-level denoisers within first-order optimization schemes, with convergence guarantees, but often struggle to achieve high-quality reconstruction on severely ill-posed inverse problems. In contrast, recent state-of-the-art approaches leverage denoisers derived from flow- or
diffusion-based generative models and evaluate them along a sequence of decreasing noise levels. While these methods achieve strong empirical performance, their convergence theory remains limited. In this paper, we bridge this gap by specifically designing an
algorithm that combines denoisers at decreasing noise levels with a schedule tailored to ensure convergence. From a
Bayesian perspective, we prove that our method converges to a $\textit{Maximum a Posteriori}$ (MAP) estimate, under suitable assumptions. Subsequently, we apply our method to various ill-posed inverse problems and show that it surpasses convergent methods while competing with state-of-the-art empirical ones.
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All authors Alexandre Lagier, Valentine Tosel, Anne Gagneux, Mathurin Massias, Ségolène Martin
Machine Learning
Physical Muon: Orthogonalization as an Equilibrium Computation
Yuren Hao
Physical neural networks and analog in-
memory computing could reduce the energy cost of neural network training. Realizing this potential, however, requires optimizers that combine effective learning with physical implementability. SGD fits local analog updates but struggles on
transformers, while Adam family is unstable against analog bias.
Muon offers strong training performance, but its Newton–Schulz orthogonalization relies on dense
matrix-
matrix products. To address this obstacle, we introduce Physical
Muon, which computes the orthogonalization as the
equilibrium of a continuous-time flow. Random probes approximate the flow using
matrix-vector products, reciprocal reads, and local rank-1 writes. To test whether this replacement preserves training performance, we evaluate it on a 10.95M-parameter
transformer. The dense flow's mean validation cross-
entropy is 0.0085 above Newton–Schulz across nine seeds per method; the probe implementation is 0.0188 above the control across two seeds.
Circuit simulations further reproduce the flow dynamics and yield comparable training behavior.
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