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Computer Science Machine Learning

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Friday 1 May

Machine Learning

Deep Kernel Learning for Stratifying Glaucoma Trajectories

Effectively stratifying patient risk in chronic diseases like glaucoma is a major clinical challenge. Clinicians need tools to identify patients at high risk of progression from sparse and irregularly-sampled electronic health records (EHRs). We propose a novel deep kernel learning (DKL) architecture that leverages a Gaussian Process (GP) backend. The GP's kernel is defined by a transformer-based feature extractor applied to clinical-BERT embeddings to model glaucoma patient trajectories from multimodal EHR data. Our method successfully identifies three clinically distinct patient subgroups. Crucially, the model learns to decouple disease progression from current severity, identifying a high-risk group with a worsening trajectory despite having better average visual acuity than a second, stably poor group. This reveals that the model learns to identify progression risk rather than just the current disease state. This ability to stratify patients based on their risk trajectory progression offers a powerful tool for clinical decision support, enabling targeted interventions for high-risk individuals and improving the management of glaucoma care.
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All authors Bruce Rushing, Angela Danquah, Alireza Namazi, Arjun Dirghangi, Heman Shakeri

Machine Learning · Cross-listed from eess.IV

FedKPer: Tackling Generalization and Personalization in Medical Federated Learning via Knowledge Personalization

Federated learning (FL) holds great potential for medical applications. However, statistical heterogeneity across healthcare institutions poses a major challenge for FL, as the global model struggles both to generalize across unseen patient populations and to adapt to the unique data distributions of individual hospitals. This heterogeneity also exacerbates forgetting at both the global and local level, resulting in previous learned patient patterns to be misclassified after model updates. While prior work has largely treated generalization and personalization as separate challenges, we show that a better balance between the two can be achieved through selective alignment with the global model and a modified aggregation scheme, which together mitigate the effects of statistical heterogeneity. Specifically, we introduce FedKPer, which introduces knowledge personalization into the training stage of each local device. Afterwards, generalization is considered via the global model aggregation process, where local updates that are reliable and label-diverse are emphasized. We evaluate the performance of FedKPer, devising additional metrics that relate to common consequences of forgetting. Overall, we demonstrate FedKPer improves the generalization-personalization trade-off without sacrificing retention.
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Machine Learning · Cross-listed from stat.ML

Adaptive Querying with AI Persona Priors

We study adaptive querying for learning user-dependent quantities of interest, such as responses to held-out items and psychometric indicators, within tight query budgets. Classical Bayesian design and computerized adaptive testing typically rely on restrictive parametric assumptions or expensive posterior approximations, limiting their use in heterogeneous, high-dimensional, and cold-start settings. We introduce a persona-induced latent variable model that represents a user's state through membership in a finite dictionary of AI personas, each offering response distributions produced by a large language model. This yields expressive priors with closed-form posterior updates and efficient finite-mixture predictions, enabling scalable Bayesian design for sequential item selection. Experiments on synthetic data and WorldValuesBench demonstrate that persona-based posteriors deliver accurate probabilistic predictions and an interpretable adaptive elicitation pipeline.
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Machine Learning

Evaluating the Architectural Reasoning Capabilities of LLM Provers via the Obfuscated Natural Number Game

While Large Language Models have achieved notable success on formal mathematics benchmarks such as MiniF2F, it remains unclear whether these results stem from genuine logical reasoning or semantic pattern matching against pre-training data. This paper identifies Architectural Reasoning: the ability to synthesize formal proofs using exclusively local axioms and definitions within an alien math domain, as the necessary ability for future automated theorem discovery AI. We use the Obfuscated Natural Number Game, a benchmark to evaluate Architectural Reasoning. By renaming identifiers in the Natural Number Game in Lean 4, we created a zero-knowledge, closed environment. We evaluate state-of-the-art models, finding a universal latency tax where obfuscation increases inference time. The results also reveal a divergence in robustness: while general models (Claude-Sonnet-4.5, GPT-4o) suffer performance degradation, reasoning models (DeepSeek-R1, GPT-5, DeepSeek-Prover-V2) maintain the same accuracy despite the absence of semantic cues. These findings provide a quantitative metric for assessing the true capacity for mathematical reasoning.
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Machine Learning

Augmented Lagrangian Multiplier Network for State-wise Safety in Reinforcement Learning

Safety is a primary challenge in real-world reinforcement learning (RL). Formulating safety requirements as state-wise constraints has become a prominent paradigm. Handling state-wise constraints with the Lagrangian method requires a distinct multiplier for every state, necessitating neural networks to approximate them as a multiplier network. However, applying standard dual gradient ascent to multiplier networks induces severe training oscillations. This is because the inherent instability of dual ascent is exacerbated by network generalization – local overshoots and delayed updates propagate to adjacent states, further amplifying policy fluctuations. Existing stabilization techniques are designed for scalar multipliers, which are inadequate for state-dependent multiplier networks. To address this challenge, we propose an augmented Lagrangian multiplier network (ALaM) framework for stable learning of state-wise multipliers. ALaM consists of two key components. First, a quadratic penalty is introduced into the augmented Lagrangian to compensate for delayed multiplier updates and establish the local convexity near the optimum, thereby mitigating policy oscillations. Second, the multiplier network is trained via supervised regression toward a dual target, which stabilizes training and promotes convergence. Theoretically, we show that ALaM guarantees multiplier convergence and thus recovers the optimal policy of the constrained problem. Building on this framework, we integrate soft actor-critic (SAC) with ALaM to develop the SAC-ALaM algorithm. Experiments demonstrate that SAC-ALaM outperforms state-of-the-art safe RL baselines in both safety and return, while also stabilizing training dynamics and learning well-calibrated multipliers for risk identification.
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All authors Jiaming Zhang, Yujie Yang, Yao Lyu, Shengbo Eben Li, Liping Zhang

Machine Learning · Cross-listed from cs.NE

Spiking Sequence Machines and Transformers

Sequence learning reduces to similarity-based retrieval over a temporally indexed representation space, a constraint on any sequence model, not a property of a specific architecture. We show that a spiking Sparse Distributed Memory sequence machine (2007) and the transformer (2017) independently instantiate the same five functional operations (encoding, context maintenance, associative retrieval, storage, and decoding), with cosine similarity as the shared retrieval primitive in both. We formalise a Phase-Latency Isomorphism showing that sinusoidal positional phase and spike timing are linearly related, and prove that dot product attention is invariant to this mapping up to a global scale factor on the positional component (Lemma 1). Empirically, frequency-compressed positional encoding fails to converge on a positionally demanding copy task, while a learned rank-based embedding matches or exceeds sinusoidal encoding, indicating that the critical property for positional representation is distance discriminability under dot-product similarity, not sinusoidal form. Time, phase, and rank are three instantiations of the same computational primitive, an ordered index whose structure survives similarity-based retrieval.
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Machine Learning

Reinforcement Learning with Markov Risk Measures and Multipattern Risk Approximation

For a risk-averse finite-horizon Markov Decision Process, we introduce a special class of Markov coherent risk measures, called mini-batch measures. We also define the class of multipattern risk-averse problems that reduce to linear MDPs in the risk-neutral case. We use both concepts in a feature-based $Q$-learning method with multipattern $Q$-factor approximation and we prove a high-probability regret bound of $\widetilde{\mathcal{O}}\big(d^{3/2}HN^{H-1}\sqrt{K}\big)$, where $d$ is the number of features, $H$ is the horizon, $N\ge2$ is the mini-batch size, $K$ is the number of episodes, and $\widetilde{\mathcal{O}}$ hides logarithmic factors. We also propose an economical version of the $Q$-learning method that streamlines the policy evaluation (backward) step. The theoretical results are illustrated on a stochastic assignment problem and a short-horizon multi-armed bandit problem.
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Machine Learning

AdaMeZO: Adam-style Zeroth-Order Optimizer for LLM Fine-tuning Without Maintaining the Moments

Fine-tuning LLMs is necessary for various dedicated downstream tasks, but classic backpropagation-based fine-tuning methods require substantial GPU memory. To this end, a recent work, MeZO, which relies solely on forward passes to fine-tune LLMs, significantly reduces GPU requirements at the cost of slower convergence due to its indifference to loss landscapes. Standard solutions, such as Adam, explore loss landscapes by estimating the first- and second-order moments and storing them in memory to guide the model's movement through dimensions with lower curvature and vice versa. However, directly applying Adam negates MeZO's advantage as it will triple the memory requirement. In light of this, we propose AdaMeZO, a zeroth-order optimizer that leverages Adam-style first- and second-moment estimates without maintaining them in memory. We present a theoretical analysis of AdaMeZO, corroborated by extensive experiments demonstrating AdaMeZO's performance, showing that AdaMeZO can outperform MeZO while requiring up to $70\%$ fewer forward passes. Trajectory visualizations affirm AdaMeZO's ability to adapt to diverse loss landscapes.
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Machine Learning

Model Compression with Exact Budget Constraints via Riemannian Manifolds

Assigning one of K options to each of N groups under a total cost budget is a recurring problem in efficient AI, arising in mixed-precision quantization, non-uniform pruning, and expert selection. The objective (model loss) depends on all assignments jointly and does not decompose across groups, so combinatorial solvers can only optimize proxy objectives. Evolutionary search evaluates the actual loss but lacks gradients, while penalty-based methods enforce the budget only approximately and often require heavy hyperparameter tuning. We show that under softmax relaxation, the budget constraint defines a smooth Riemannian manifold in logit space with unusually clean geometry: the normal vector is available in closed form, shifting logits along the cost vector changes expected cost monotonically, and vector transport reduces to a single inner product. Building on this, we propose Riemannian Constrained Optimization (RCO), which wraps tangent projection, binary-search retraction, and momentum transport around a standard Adam step. Combined with Gumbel straight-through estimation and budget-constrained dynamic programming for discrete feasibility, RCO optimizes the actual loss with first-order methods, enforces the expected budget exactly at every iterate, and introduces no constraint-related hyperparameters. The same construction handles multiple simultaneous budgets with no additional coefficients. RCO matches or exceeds state-of-the-art methods on synthetic problems and realistic LLM compression settings, often at considerably lower wall-clock cost. Source code is available at https://github.com/IST-DASLab/RCO.
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Machine Learning

Label-Conditioned Cross-Modal Fusion for Adult-to-Pediatric ECG Transfer via Curriculum-Gated Contrastive Alignment

Automated pediatric electrocardiogram (ECG) interpretation remains challenging because developmental differences in heart rate, intervals, and waveforms limit the transferability of models trained mainly on adult data, while expert-labeled pediatric ECG cohorts are scarce. We propose PEACE (Pediatric-Adult ECG Alignment via Cross-modal Enhancement), an adult-to-pediatric ECG transfer framework pretrained on MIMIC-IV ECGs and adapted to pediatric targets. PEACE integrates label-specific bidirectional contrastive learning (LSBC) to align ECG representations with diagnostic semantics and curriculum adaptive fusion (CAF) to stabilize optimization under limited pediatric supervision. Label-conditioned short text descriptors provide auxiliary semantic supervision during training, whereas inference requires ECG signals only. On ZZU-pECG, PEACE achieves macro-average AUCs of 59.39%, 81.74%, and 91.56% under zero-shot, 50-shot, and full fine-tuning settings, respectively, outperforming ECG-only, multimodal, and generic domain adaptation baselines including DANN and MMD. On PTB-XL, it reaches 96.90% macro-average AUC after full fine-tuning over nine harmonized labels with nonzero mapped incidence. Gradient-based attention maps show increased saliency around QRS voltage and morphology regions for chamber-related RVH and around QRS-to-T/repolarization intervals for LQTS, broadly consistent with ECG regions commonly inspected during routine interpretation. These results suggest that adult-scale ECG pretraining coupled with rhythm, morphology, and ST-T repolarization semantic descriptors improves transferable pediatric diagnosis under label scarcity while preserving clinically interpretable waveform focus.
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All authors Xinran Liu, Yuwen Li, Hongxiang Gao, Heyang Xu, Jianqing Li, Zongmin Wang, Chengyu Liu

Machine Learning

From Prediction to Practice: A Task-Aware Evaluation Framework for Blood Glucose Forecasting

Clinical time-series forecasting is increasingly studied for decision support, yet standard aggregate metrics can obscure whether a model is actually useful for the task it is meant to serve. In safety-critical settings, low average error can coexist with dangerous failures in exactly the high-risk regimes that matter most. We present a task-aware evaluation framework for blood glucose forecasting built around two downstream uses: hypoglycemia early warning and insulin dosing decision support. For early warning, we evaluate on real data from three clinical cohorts using event-level recall and false alarms per patient-day, metrics that reflect operational alarm burden rather than aggregate accuracy. We show that models appearing acceptable overall, with recall above 0.9 on the full test set, can fail badly in the post-bolus slice, where insulin-on-board is elevated and missed warnings carry the greatest clinical consequences. Standard forecasting evaluation, however, does not test whether a model can reason about the effects of actions, a requirement for supporting insulin dosing decisions. We therefore add a second, interventional arm using the FDA-accepted UVA/Padova simulator, where we evaluate whether forecasters can predict glucose responses to altered insulin plans in paired factual/counterfactual scenarios. We show that models that look strong on real-data forecasting often fail to predict the direction, magnitude, or ranking of intervention effects, and choose poor insulin doses when evaluated under a clinically motivated cost. Taken together, the two arms reveal a consistent gap between forecasting accuracy and task-relevant usefulness. We release the benchmark, the standardized preprocessing pipeline for public cohorts, and the simulator-based interventional dataset as a reproducible toolkit.
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Machine Learning

Learning Multimodal Energy-Based Model with Multimodal Variational Auto-Encoder via MCMC Revision

Energy-based models (EBMs) are a flexible class of deep generative models and are well-suited to capture complex dependencies in multimodal data. However, learning multimodal EBM by maximum likelihood requires Markov Chain Monte Carlo (MCMC) sampling in the joint data space, where noise-initialized Langevin dynamics often mixes poorly and fails to discover coherent inter-modal relationships. Multimodal VAEs have made progress in capturing such inter-modal dependencies by introducing a shared latent generator and a joint inference model. However, both the shared latent generator and joint inference model are parameterized as unimodal Gaussian (or Laplace), which severely limits their ability to approximate the complex structure induced by multimodal data. In this work, we study the learning problem of the multimodal EBM, shared latent generator, and joint inference model. We present a learning framework that effectively interweaves their MLE updates with corresponding MCMC refinements in both the data and latent spaces. Specifically, the generator is learned to produce coherent multimodal samples that serve as strong initial states for EBM sampling, while the inference model is learned to provide informative latent initializations for generator posterior sampling. Together, these two models serve as complementary models that enable effective EBM sampling and learning, yielding realistic and coherent multimodal EBM samples. Extensive experiments demonstrate superior performance for multimodal synthesis quality and coherence compared to various baselines. We conduct various analyses and ablation studies to validate the effectiveness and scalability of the proposed multimodal framework.
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Machine Learning

Bridging Graph Drawing and Dimensionality Reduction with Stochastic Stress Optimization

Both Dimensionality Reduction (DR) and Graph Drawing (GD) aim to visualize abstract, non-linear structures, yet rely on different optimization paradigms. This contrast is evident in Multidimensional Scaling (MDS), which typically depends on the SMACOF algorithm despite graph drawing results showing that simpler stochastic optimization schemes can be more effective for the same objective. We bridge these domains by adapting Stochastic Gradient Descent (SGD) techniques from graph drawing to vector data embedding. We present a scikit-learn compatible estimator that minimizes global stress through local pairwise updates, improving upon the existing implementation. Experiments on standard high-dimensional benchmarks show that our stochastic solver converges substantially faster than SMACOF while achieving comparable or lower stress.
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Machine Learning

Knowing when to trust machine-learned interatomic potentials

Prevailing machine-learned interatomic potential (MLIP) uncertainty-quantification methods rely on ensembles of independently trained backbones. These methods scale unfavorably with foundation-scale MLIPs, and their member-disagreement signals correlate weakly with per-molecule prediction error. Here we probe the frozen per-atom representations of a pretrained MLIP with a compact discriminative classifier, recasting MLIP uncertainty quantification as selective classification rather than error regression. The resulting method, PROBE (Post-hoc Reliability frOm Backbone Embeddings), produces a per-prediction reliability probability that monotonically tracks actual error without modification to the underlying model. Across large held-out evaluation sets and two structurally distinct MLIP architectures, PROBE outperforms ensemble disagreement as a binary reliability signal, which strengthens with the expressiveness of the backbone representation, implying a favorable scaling trajectory toward foundation-scale MLIPs. Multi-head self-attention additionally yields per-atom importance maps, providing chemically interpretable diagnostics at no additional computational cost. PROBE is post-hoc and architecture-agnostic, and is directly deployable on any MLIP that exposes per-atom representations.
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Machine Learning

Unlearning Offline Stochastic Multi-Armed Bandits

Machine unlearning aims to unlearn data points from a learned model, offering a principled way to process data-deletion requests and mitigate privacy risks without full retraining. Prior work has mainly studied unsupervised / supervised machine unlearning, leaving unlearning for sequential decision-making systems far less understood. We initiate the first study of a foundational sequential decision-making problem: offline stochastic multi-armed bandits (MAB). We formalize the privacy constraint for offline MAB and measure utility by the post-unlearning decision quality. We conduct a systematic study of both single- and multi-source unlearning scenarios under two data-generation models, the fixed-sample model and the distribution model. For these settings, our algorithmic design is built on two canonical base algorithms: Gaussian mechanism and rollback, and we propose adaptive algorithms that switch between them according to the data regime and privacy constraint. We further introduce a mixing procedure that elucidates the rationale behind these baselines. We provide performance guarantees across the above settings and establish lower bounds under both dataset models. Experiments validate the predicted tradeoffs and demonstrate the effectiveness of the proposed methods.
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All authors Zichun Ye, Runqi Wang, Xuchuang Wang, Xutong Liu, Shuai Li, Mohammad Hajiesmaili

Machine Learning

Class Angular Distortion Index for Dimensionality Reduction

Dimensionality reduction (DR) techniques are often characterized by whether they preserve global, high-level structures in the data or local, neighborhood structures. This distinction matters in visualization: global methods can obscure clusters while local methods can over-emphasize them. Yet, even when clusters appear distinct, their relative arrangement in the projection may be arbitrary or misleading, a common issue in techniques such as t-SNE and UMAP. Existing cluster quality metrics either only measure cluster separability or assume spherical, globular clusters in the original space. We introduce the Class Angular Distortion Index (CADI), a metric that uses internal angles among point triples to determine the faithfulness of cluster organization in a projection. We show cases on both real and synthetic data where existing cluster metrics fail, but CADI provides an interpretable result. Since it relies on computing angles, CADI is also differentiable, enabling optimization. We demonstrate this with a CADI-based DR technique.
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Machine Learning · Cross-listed from cs.CV

BlenderRAG: High-Fidelity 3D Object Generation via Retrieval-Augmented Code Synthesis

Automatic generation of executable Blender code from natural language remains challenging, with state-of-the-art LLMs producing frequent syntactic errors and geometrically inconsistent objects. We present BlenderRAG, a retrieval-augmented generation system that operates on a curated multimodal dataset of 500 expert-validated examples (text, code, image) across 50 object categories. By retrieving semantically similar examples during generation, BlenderRAG improves compilation success rates from 40.8% to 70.0% and semantic normalized alignment from 0.41 to 0.77 (CLIP similarity) across four state-of-the-art LLMs, without requiring fine-tuning or specialized hardware, making it immediately accessible for deployment. The dataset and code will be available at https://github.com/MaxRondelli/BlenderRAG.
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Machine Learning

Decouple before Integration: Test-time Synthesis of SFT and RLVR Task Vectors

SFT and RLVR represent two fundamental yet distinct paradigms for LLM post-training, each excelling in distinct dimensions. SFT expands knowledge breadth while RLVR enhances reasoning depth. Yet integrating these complementary strengths remains a formidable challenge. Sequential training can cause catastrophic forgetting, and joint optimization often suffers from severe gradient conflicts. We analyze SFT and RLVR through the lens of task vectors and reveal three structural properties behind these failures: a 30* magnitude disparity, 45* sign interference, and heterogeneous module-wise update distributions. These findings show SFT and RLVR are difficult to integrate directly, but they also suggest that the two paradigms modify partly complementary components of the model. Motivated by these observations, we propose Decoupled Test-time Synthesis (DoTS), a post-hoc framework allows SFT and RLVR checkpoints to be trained independently and synthesizes their capabilities only at inference time via task vector arithmetic, without updating model parameters. To reduce interference, DOTS applies selective sparsification with norm-preserving rescaling. It then uses Bayesian optimization on a small set of unlabeled queries to search for combination coefficients on the Pareto frontier of consistency and perplexity. Empirically, \ours matches or exceeds the performance of training-based SFT–RLVR integration methods across multiple mathematical reasoning benchmarks, incurring only $\sim$3% of the computational cost. When applied to stronger post-trained checkpoints, DOTS surpasses SOTA models and generalizes to out-of-domain benchmarks without re-tuning. Code is available at https://github.com/chaohaoyuan/DoTS.
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All authors Chaohao Yuan, Chenghao Xiao, Yu Rong, Hong Cheng, Long-Kai Huang

Machine Learning

Affinity Is Not Enough: Recovering the Free Energy Principle in Mixture-of-Experts

Sparse MoE routing fails at domain transitions, where the current token belongs to one distribution and the next to another. In a controlled experiment (4 experts, 5 seeds), standard affinity routing assigns only 0.006 +/- 0.001 probability to the correct expert at the transition. Three lightweight gate modifications raise this to 0.748 +/- 0.002 (124x), cutting experts needed for 99% coverage from infeasible to a small constant: temporal memory (beta), a per-expert LIF membrane potential accumulating routing context across tokens; precision-weighted gating (Pi), a per-expert inverse variance of recent prediction error, yielding 31x contrast between reliable and unreliable experts; and anticipatory routing, a next-state predictor conditioned on the beta-accumulated hidden state. The mechanisms draw from Friston's Free Energy Principle and use LIF dynamics from spiking neural networks. An ablation across all 2^3 subsets reveals a super-additive beta x Ant interaction: anticipation alone gives nothing (+0.000 +/- 0.001); beta alone gives modest gain (+0.295 +/- 0.013); combined they close 75% of the oracle gap (+0.741 +/- 0.002, exceeding the sum by +0.446 +/- 0.014). This is structural: a stateless predictor cannot detect approaching transitions because pre-transition tokens are distributionally identical to within-domain tokens. In a character-level MoE LM (5 seeds), beta-routing reduces transition-step BPC from 6.56 +/- 0.01 (Standard) to 4.01 +/- 0.15 (beta-MoE); the beta + Ant gate places 0.86 +/- 0.02 probability on the correct domain expert before that domain appears in input, vs 0.42 +/- 0.12 for Standard MoE. Reference implementations (~200 lines each): https://github.com/russellwmy/affinity-is-not-enough
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Machine Learning

Possibilistic Predictive Uncertainty for Deep Learning

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling. Existing methods for uncertainty modeling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous connections between their specific objectives and epistemic uncertainty quantification. To resolve this dilemma, we introduce Dirichlet-approximated possibilistic posterior predictions (DAPPr), a principled framework grounded in possibility theory. We define a possibilistic posterior over parameters, project it to the prediction space via supremum operators, and approximate the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Despite its simplicity, extensive experiments across diverse benchmarks show that DAPPr achieves competitive or superior uncertainty quantification performance over state-of-the-art second-order predictors while maintaining both principled derivation and computational efficiency. Code is available at https://github.com/MaxwellYaoNi/DAPPr.
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All authors Yao Ni, Jeremie Houssineau, Yew-Soon Ong, Piotr Koniusz

Machine Learning

Fairness of Classifiers in the Presence of Constraints between Features

In Machine Learning, an accepted definition of fairness of a decision taken by a classifier is that it should not depend on protected features, such as gender. Unfortunately, when constraints exist between features, such dependencies can be obscured by the constraints. To avoid this problem, we propose that a decision be considered fair if it has a fair explanation. We define a fair explanation as a prime-implicant reason for the decision that does not contain any protected feature (where the constraints are taken into account in the definition of prime-implicant). Surprisingly, ignoring constraints can completely change the fairness of a decision (according to this definition) even in the absence of constraints between protected and unprotected features. Three possible definitions of fairness of a classifier are that for all its decisions (1) there are only fair explanations, (2) there is at least one fair explanation, or (3) changing protected features does not change the outcome. We identify the relationships between these different definitions of fairness and study the computational complexity of testing fairness of classifiers.
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Machine Learning · Cross-listed from cs.CV

Jailbreaking Vision-Language Models Through the Visual Modality

The visual modality of vision-language models (VLMs) is an underexplored attack surface for bypassing safety alignment. We introduce four jailbreak attacks exploiting the vision component: (1) encoding harmful instructions as visual symbol sequences with a decoding legend, (2) replacing harmful objects with benign substitutes (e.g., bomb -> banana) then prompting for harmful actions using the substitute term, (3) replacing harmful text in images (e.g., on book covers) with benign words while visual context preserves the original meaning, and (4) visual analogy puzzles whose solution requires inferring a prohibited concept. Evaluating across six frontier VLMs, our visual attacks bypass safety alignment and expose a cross-modality alignment gap: text-based safety training does not automatically generalize to harmful intent conveyed visually. For example, our visual cipher achieves 40.9% attack success on Claude-Haiku-4.5 versus 10.7% for an equivalent textual cipher. To further our insight into the attack mechanism, we present preliminary interpretability and mitigation results. These findings highlight that robust VLM alignment requires treating vision as a first-class target for safety post-training.
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All authors Aharon Azulay, Jan Dubiński, Zhuoyun Li, Atharv Mittal, Yossi Gandelsman

Machine Learning · Cross-listed from stat.ML

Gradient Regularized Newton Boosting Trees with Global Convergence

Gradient Boosting Decision Trees (GBDTs) dominate tabular machine learning, with modern implementations like XGBoost, LightGBM, and CatBoost being based on Newton boosting: a second-order descent step in the space of decision trees. Despite its empirical success, the global convergence of Newton boosting is poorly understood compared to first-order boosting. In this paper, we introduce Restricted Newton Descent, which studies convex optimization with Newton's method on Hilbert spaces with inexact iterates, based on the concepts of cosine angle and weak gradient edge. Within this framework, we recover Newton boosting with GBDTs and classical finite-dimensional theory as special cases. We first prove that vanilla Newton boosting achieves a linear rate of convergence for smooth, strongly convex losses that satisfy a Hessian-dominance condition. To handle general convex losses with Lipschitz Hessians, we extend a recent gradient regularized Newton scheme to the restricted weak learner setting. This scheme minimally modifies the classical algorithm by introducing an adaptive $\ell_2$-regularization term proportional to the square root of the gradient norm at each iteration. We establish a $\mathcal{O}(\frac{1}{k^2})$ rate for this scheme, thereby obtaining a globally convergent second-order GBDT algorithm with a rate matching that of first-order boosting with Nesterov momentum. In numerical experiments, we show that our scheme converges while vanilla Newton boosting may diverge.
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All authors Nikita Zozoulenko, Daniel Falkowski, Thomas Cass, Lukas Gonon

Machine Learning

Stable-GFlowNet: Toward Diverse and Robust LLM Red-Teaming via Contrastive Trajectory Balance

Large Language Model (LLM) Red-Teaming, which proactively identifies vulnerabilities of LLMs, is an essential process for ensuring safety. Finding effective and diverse attacks in red-teaming is important, but achieving both is challenging. Generative Flow Networks (GFNs) that perform distribution matching are promising methods, but they are notorious for training instability and mode collapse. In particular, unstable rewards in red-teaming accelerate mode collapse. We propose Stable-GFN (S-GFN), which eliminates partition function $Z$ estimation in GFN and reduces training instability. S-GFN avoids $Z$ estimation through pairwise comparisons and employs a robust masking methodology against noisy rewards. Additionally, we propose a fluency stabilizer to prevent the model from getting stuck in local optima that produce gibberish. S-GFN provides more stable training while maintaining the optimal policy of GFN. We demonstrate the overwhelming attack performance and diversity of S-GFN across various settings. Our code can be found in https://github.com/kmc0207/Stable-GFN.
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All authors Minchan Kwon, Sunghyun Baek, Minseo Kim, Jaemyung Yu, Dongyoon Han, Junmo Kim

Machine Learning

Beyond Continuity: Simulation-free Reconstruction of Discrete Branching Dynamics from Single-cell Snapshots

Inferring cellular trajectories from destructive snapshots is complicated by the challenges of stochasticity and non-conservative mass dynamics such as cell proliferation and apoptosis. Existing unbalanced Optimal Transport (OT) methods treat mass as a continuous fluid, performing inference at the population level. However, this macroscopic view often fails to capture the discrete, jump-like nature of birth-death events at single-cell resolution, which is essential for understanding lineage branching and fate decisions. We present Unbalanced Schrödinger Bridge (USB), a simulation-free framework for learning underlying dynamics that effectively integrates both stochastic and unbalanced effects which also models the discrete, jump-like birth-death dynamics at single-cell resolution. Theoretically, USB provides a tractable solution to the Branching Schrödinger Bridge (BSB) problem, offering a rigorous microscopic interpretation where individual cells undergo both Brownian motion and discrete birth-death jumps. Technically, the method implements an efficient solver by introducing a simulation-free training objective that effectively scales to high-dimensional omics data. Empirically, we demonstrate on both simulated and real-world datasets that USB not only achieves trajectory reconstruction performance better than or comparable to deterministic baselines but also uniquely enables realistic discrete simulation of birth-death dynamics at single-cell resolution.
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All authors Junda Ying, Yuxuan Wang, Bowen Yang, Peijie Zhou, Lei Zhang

Machine Learning · Cross-listed from cs.CV

Vesselpose: Vessel Graph Reconstruction from Learned Voxel-wise Direction Vectors in 3D Vascular Images

Blood vessel segmentation and -tracing are essential tasks in many medical imaging applications. Although numerous methods exist, the prevailing segment-then-fix paradigm is fundamentally limited regarding its suitability for modeling the task of complete and topologically accurate vascular network reconstruction. Here, we propose an approach to extract topologically more accurate vascular graphs from 3D image data, building upon highly successful ideas from the related biomedical tasks of cell segmentation and -tracking. Our approach first predicts voxel-wise vessel direction vectors joint with standard vessel segmentation masks. Second, to extract the vascular graph from these predictions, we introduce a direction-vector-guided extension of the TEASAR algorithm. Our approach achieves state-of-the-art performance on three benchmark datasets, spanning both synthetic and real imagery. We further demonstrate the applicability of our approach to challenging 3D micro-CT scans of rat heart vasculature. Finally, we propose meaningful and interpretable measures of topological error, namely false splits and false merges for graphs. Overall, our approach substantially improves the topological accuracy of reconstructed vascular graphs, being able to separate closely apposed vessel segments and handle multiple vascular trees within a single volume.
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All authors Rajalakshmi Palaniappan, Christoph Karg, Nemesio Navarro-Arambula, Peter Hirsch, Kristin Kraeker, Lisa Mais, Dagmar Kainmueller

Machine Learning · Cross-listed from cs.DC

Tempus: A Temporally Scalable Resource-Invariant GEMM Streaming Framework for Versal AI Edge

Scaling laws for Large Language Models (LLMs) establish that model quality improves with computational scale, yet edge deployment imposes strict constraints on compute, memory, and power. Since General Matrix Multiplication (GEMM) accounts for up to 90% of inference time, efficient GEMM acceleration is critical for edge AI. The Adaptive Intelligent Engines available in the AMD Versal adaptive SoCs are well suited for this task, but existing state-of-the-art (SOTA) frameworks maximize performance through spatial scaling, distributing workloads across hundreds of cores – an approach that fails on resource-limited edge SoCs due to physical implementation failures, bandwidth saturation, and excessive resource consumption. We propose Tempus, a Resource-Invariant Temporal GEMM framework for the AMD Versal AI Edge SoC. Rather than expanding hardware resources with matrix size, Tempus employs a fixed compute block of 16 AIE-ML cores, achieving scalability through iterative graph execution and algorithmic data tiling and replication in the Programmable Logic. High-speed cascade streaming ensures low-latency partial sum reduction at Initiation Interval (II) of 1, while a deadlock-free DATAFLOW protocol maximizes transfer-compute overlap and PLIO reuse. Evaluated on GEMM workloads, Tempus achieves 607 GOPS at 10.677 W total on-chip power. By characterizing system-level efficiency through the Platform-Aware Utility (PAU) metric, we prove that Tempus achieves a 211.2x higher prominence factor than the leading spatial SOTA (ARIES). Furthermore, the framework maintains a 0.00% utilization of URAM/DSP, yielding 22.0x core frugality, 7.1x power frugality, and a 6.3x reduction in I/O demand, establishing a sustainable, scalable foundation for edge LLM inference.
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Machine Learning

Hierarchical Abstract Tree for Cross-Document Retrieval-Augmented Generation

Retrieval-augmented generation (RAG) enhances large language models with external knowledge, and tree-based RAG organizes documents into hierarchical indexes to support queries at multiple granularities. However, existing Tree-RAG methods designed for single-document retrieval face critical challenges in scaling to cross-document multi-hop questions: (1) poor distribution adaptability, where $k$-means clustering introduces noise due to rigid distribution assumptions; (2) structural isolation, as tree indexes lack explicit cross-document connections; and (3) coarse abstraction, which obscures fine-grained details. To address these limitations, we propose $\Psi$-RAG, a tree-RAG framework with two key components. First, a hierarchical abstract tree index built through an iterative "merging and collapse" process that adapts to data distributions without a priori assumption. Second, a multi-granular retrieval agent that intelligently interacts with the knowledge base with reorganized queries and an agent-powered hybrid retriever. $\Psi$-RAG supports diverse tasks from token-level question answering to document-level summarization. On cross-document multi-hop QA benchmarks, it outperforms RAPTOR by 25.9% and HippoRAG 2 by 7.4% in average F1 score. Code is available at https://github.com/Newiz430/Psi-RAG.
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Machine Learning · Cross-listed from cs.DC

SAGA: Workflow-Atomic Scheduling for AI Agent Inference on GPU Clusters

AI agents execute tens to hundreds of chained LLM calls per task, yet GPU schedulers treat each call as independent, discarding gigabytes of intermediate state between steps and inflating end-to-end latency by 3-8x. We argue that this request-level abstraction is fundamentally mismatched to compound AI workloads, and propose a shift to program-level scheduling: treating the entire agent workflow (not individual inference calls) as the first-class schedulable unit. We present SAGA, a distributed scheduler that implements this abstraction through three mechanisms: (1) Agent Execution Graphs that capture workflow structure to predict KV cache reuse across tool-call boundaries, achieving within 1.31x of Bélády's optimal offline policy; (2) session-affinity batching with work stealing that co-locates correlated requests while maintaining global load balance; and (3) Agent Fair Share, a task-completion-time fairness metric with provable bounded-deviation guarantees. On a 64-GPU cluster serving SWE-bench coding agents and WebArena browser tasks, SAGA reduces task completion time by 1.64x (geometric mean, p < 0.001) over vLLM v0.15.1 with prefix caching and affinity routing, while improving GPU memory utilization by 1.22x and achieving 99.2% SLO attainment under multi-tenant interference. These latency gains come at a quantified cost: approximately 30% lower peak throughput than throughput-optimal batch scheduling, a tradeoff appropriate for the latency-sensitive interactive deployments that dominate compound AI usage. Our results demonstrate that workflow-aware scheduling is essential for efficient compound AI serving.
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Machine Learning · Cross-listed from eess.IV

Multi-frame Restoration for 10 Hz Lissajous Confocal Laser Endomicroscopy

Lissajous confocal laser endomicroscopy (CLE) is a promising solution for high-speed in vivo optical biopsy for handheld scenarios. However, Lissajous scanning traces a resonant trajectory and samples only the visited pixels per frame; at high frame rates, many pixels remain unvisited, creating structured holes. In this work, we introduce the first benchmark for 10 Hz Lissajous CLE, consisting of low-quality video clips paired with high-quality reference images. The reference images are wide-FOV mosaics obtained by stitching stabilized, slow-scan frames of the same tissue, enabling temporally aligned supervision. Using this dataset, we propose MIRA, a lightweight recurrent framework for Lissajous CLE restoration that iteratively aggregates temporal context through feature reuse and displacement alignment. Our experiments demonstrate that MIRA outperforms both lightweight and high-complexity baselines in restoration quality while maintaining a favorable computational efficiency suitable for clinical deployment.
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All authors Minhee Lee, Sangyoon Lee, Jiwook Lee, Minki Hong, Kyuyoung Kim, Won Hwa Kim, Jaeho Lee