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Computer Science Machine Learning

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Monday 28 September

Machine Learning · Cross-listed from math.OC

Learned Preconditioning for a Primal-Dual Interior-Point Method

Interior-point methods (IPMs) are among the most widely used algorithms for constrained optimization, yet their Newton-based search directions require costly second-order information and large linear-system solves. Learning to optimize offers cheaper updates learned from data, but the singular behavior of logarithmic barriers near constraint boundaries makes IPMs highly sensitive to perturbations, complicating both warm starting and learning reliable updates. We introduce pdLIP, an IPM for smooth nonlinear programs that integrates learned preconditioning with pdProj, an all-shifted primal-dual projected-search IPM. A shared coordinate-wise recurrent network predicts a positive diagonal preconditioner that scales the right-hand side of the reduced Newton system for the primal step, and the remaining slack and multiplier directions are recovered analytically. The learned iterations avoid Hessian evaluations and Newton-system solves, using only first-order and coordinate-wise operations amenable to GPU parallelization. Training is self-supervised, with a loss based on a penalty-barrier merit function and the residual of perturbed optimality conditions, requiring neither target directions nor precomputed solutions. Primal and dual shifts mitigate the barrier's sensitivity to perturbations near constraint boundaries, enabling effective warm starting. Across four classes of 200-dimensional convex and nonconvex constrained problems, pdLIP warm starts reduce pdProj refinement iterations by 63-67% compared with cold starts at the same KKT residual tolerance of $10^{-8}$, with negligible warm-start generation cost relative to the subsequent pdProj solve. Improvements persist on box-constrained QPs with 1000 variables and extend to applications including portfolio optimization, support vector machines, and a nonlinear control example.
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Machine Learning

Transferable Mass Spectrum Prediction via Reference-Guided Test-time Specialization

Tandem mass spectrum prediction supports compound identification across metabolomics, natural-product discovery, and environmental analysis. However, pretrained predictors often degrade under shifts in chemical space and acquisition conditions, while retraining domain-specific models from scratch is costly. We introduce SPARC, a retrieval-guided test-time specialization framework that adapts a pretrained predictor using a spectral reference library without accessing test-query spectra. For each target query, SPARC retrieves chemically related reference spectra to recalibrate fragment intensities within the learned fragmentation space. During Transfer, SPARC combines reference-guided spectral adaptation with reliability-aware consistency, using reconstruction behavior on retrieved spectra to selectively preserve trustworthy predictions during continual specialization. Across MassSpecGym, NPLIB1 and application-specific GNPS libraries, SPARC improves spectral prediction under multiple transfer settings. These results establish retrieval-guided test-time specialization as a practical strategy for extending pretrained MS/MS predictors to specific chemical and acquisition domains, with continual test-time training providing further refinement during deployment.
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All authors Yunhua Zhong, Runting Li, Yifan Li, Pan Liu, Zhiwen Yang, Zikun Wang, Yixuan Tang, Jun Xia

Machine Learning · Cross-listed from cs.SD

CoSE-E: A Benchmark for Code-switched Speech Evaluation in Enterprise Settings

Code-switching (CS), a seamless alternation between languages within a single utterance, remains a critical challenge in automatic speech recognition (ASR). While prior works focus on conversational CS-ASR, enterprise settings demand evaluation of operational impact beyond edit-distance errors: how code-switching transcription errors propagate to downstream voice agent task failures. In this work, we propose (1) a CS-ASR synthetic benchmark and multidimensional evaluation framework tailored to enterprise domains, (2) systematic evaluation of frontier ASR systems across 5 language pairs, (3) diagnostic analysis of the additional transcription errors that code-switching introduces across language pairs and models. We release COSE-E to support enterprise-focused CSASR evaluation for multilingual voice agents in enterprise deployment.
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All authors Shama Gupta, Hoang H Nguyen, Chelsea Huang, Lindsay Devon Brin, Fanny Riols

Machine Learning

Bounding Retraining Equivalence and the Deletion Floor in Materials Machine Unlearning

In materials machine learning, closely related retained structures can sustain accurate property predictions even after removing a specific record, rendering post-deletion prediction error an ambiguous metric for machine unlearning. To resolve this ambiguity, we define the deletion floor as the expected target loss under a specified retraining procedure at the deleted request. Standard indistinguishability constraints yield a sharp interval bounding an update's target loss around this baseline reference. Theoretically, a conditional neighbor bound links a low deletion floor directly to retained fit, prediction regularity, and local label agreement, while an exact ridge identity isolates residual fit from the prediction change induced by record deletion. Empirically, controlled redundancy sweeps show an $\approx 8\times$ drop in median normalized retraining loss when one retained relative remains after deletion. Across two distinct fitting regimes in a paired Materials Project study, the lower-floor regime also exhibits a larger prediction change on more than 50% of the shared requests. Systematic comparisons against approximate updates and the original model decouple deliberate target suppression from preserved overall model utility. Consequently, request-level unlearning evaluations should report reference loss, prediction change, and retained utility together, interpreting post-deletion accuracy against what retraining itself leaves behind.
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All authors Can Polat, Mustafa Kurban, Erchin Serpedin, Hasan Kurban

Machine Learning

DR-net-Mamba: Selective State-Space Modeling for Long-Range ECG Time-Series Denoising

Electrocardiogram (ECG) recordings are corrupted by non-stationary noise sources that degrade diagnostic reliability, particularly in ambulatory and long-duration recordings. Deep learning denoisers exist, but convolutional architectures are limited by their receptive field, transformer-based models scale quadratically with sequence length, and diffusion-based approaches incur prohibitive inference cost. We propose a Mamba-augmented model that inserts selective state-space blocks at the convolutional bottleneck, combining local feature extraction with long-range temporal modeling at linear complexity. We comprehensively evaluate the proposed model with respect to reconstruction fidelity, noise robustness, recording-length scaling, and downstream diagnostic classification across over 40 pathology classes. On synthetic and real datasets, our model achieves the highest SNR and lowest RMSE, with the Mamba advantage increasing with sequence length and in low-SNR regimes. On classification with two independent classifiers, the proposed Mamba-based models achieve the best macro AUROC among all denoisers and improve over their convolutional base models. Calibration is more nuanced and classifier-dependent: denoising improves Binary Cross-Entropy and Brier score on Inception1D but often fails to beat the noisy input on ResNet1D-Wang, and the lead-specific Mamba variant is the only denoiser to improve both calibration metrics over the noisy baseline on both classifiers. Per-class analysis reveals a morphology-dependent benefit: Mamba substantially improves ST/T-change diagnoses, which depend on broad, context-sensitive waveforms.
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All authors Basile Morel, Samuel Ruiperez-Campillo, Andreas P. Streich, Julia E. Vogt, Thomas Hofmann

Machine Learning · Cross-listed from cs.CL

Which the Eye Fears: Writing with Read-Blindness Explains Massive Activations in Transformers

Massive activation features (MAs) in Transformers are extreme-value residual-stream features that persist across layers despite the model's ability to suppress them. Why do they survive? Our investigation using an operator-level mechanistic analysis of attention and feed-forward (FFN) blocks reveals that these blocks systematically ignore MA coordinates while reading, but not while writing; creating a read-write asymmetry that blocks corrective feedback while allowing continued accumulation. We find that both attention and feed-forward layers have this read-blindness, and contribute to the emergence and persistence of MAs. To validate prior work that hypothesized that FFN's amplification abilities is the primary reason for MAs (Sun et al., 2026), we analyze the model checkpoints during learning. Contrary to our expectation, read-blindness emerges before FFN amplification, suggesting that it acts upstream in the MA mechanism. We further contribute gradient analysis to link this behavior to surprising asymmetries in the loss landscape, concluding that the model actively maintains this read-blindness. Finally, we find that removing read-blocking at different locations induces compensatory shifts elsewhere, but MAs still persist.
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All authors Swagatam Mukhopadhyay, Vishal Vivek Saley, Vraj Parikh, Mausam

Machine Learning

SANTA++: Sampling Attention through Representative Keys

Attention often concentrates on a small subset of tokens in the context, but which subset matters changes from one query to the next. To exploit this changing structure, we introduce SANTA++, a training-free stochastic attention method that uses representative keys for memory-efficient selection without scanning the entire key-value (KV) cache. Cached keys are organized into teams, and the query scores one representative from each team to decide which teams to sample. We compute exact attention scores within the sampled teams and reweight each team's contribution by the inverse of its inclusion probability. This importance sampling correction estimates attention over the full cache, with a sampling budget that lets us trade memory reads for accuracy. Remarkably, with 32 or 64 sampled teams, SANTA++ uses 16% to 22% of dense attention's KV reads and retains 94% to 99% of the dense-attention baseline's scores on LongBench v2 and HELMET's retrieval-augmented generation subset, and 85% to 91% on RULER, with Qwen2.5-7B-Instruct at 32K context. With 31 sampled teams, our GPU implementation delivers a $1.69\times$ attention speedup over the dense FlashAttention baseline at 32K context. By reducing the number of cache entries read, SANTA++ in principle complements architectures with compressed KV representations, such as multi-head latent attention. Our kernels are available at: https://github.com/OPUSLab/santapp-kernel-demo.git.
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All authors Kyle Lee, Christian Z. Pratt, Ruoyu Fang, Heekyung Lee, Avinash Lohitsa, Ryan Modafe, Kerem Y. Camsari

Machine Learning

Arbitrary-Accuracy Neural Approximation with Optimal Neuron Count and Near-Optimal Bit Complexity

We study the minimum number of hidden neurons required for arbitrary-accuracy approximation of multivariate Hölder-continuous functions on $[0,1]^d$ and the associated encoding complexity. For $d\geq 2$, we construct a fixed, explicitly defined activation function for which a closed-form network with two hidden layers of widths $d$ and $1$ achieves arbitrary accuracy in the uniform norm. We prove that $d+1$ is the exact minimum total number of hidden neurons among standard feedforward networks with locally integrable activations and affine outputs. We further give a simpler construction using a single elementary activation that combines the floor and exponential functions. This construction requires three hidden layers of widths $d$, $1$, and $2$, only two neurons above the minimum. If a skip connection is allowed, widths $d$, $1$, and $1$ suffice. These constructions use explicit grid addressing and integer encoding of quantized function values. For a bounded $\alpha$-Hölder class, they require $O(\varepsilon^{-d/\alpha}\log(1/\varepsilon))$ bits, matching the metric-entropy lower bound up to a logarithmic factor.
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Machine Learning · Cross-listed from cs.AI

RIDE: Reference-Anchored Inference-Time Diffusion Editing for Scaffold Hopping

Scaffold hopping is a critical task in drug discovery, which seeks to discover new, structurally distinct molecules that share key functional groups and similar 3D shape with a reference binding ligand. Existing diffusion-based scaffold hopping methods formulate the problem as conditional generation of scaffolds given the functional groups. However, they lack a principled mechanism to jointly enforce 2D structural novelty and preserve the 3D shape of the reference ligand. Here, we introduce RIDE, a Reference-anchored Inference-time Diffusion Editing framework for scaffold hopping. RIDE recovers the reference diffusion noise trajectory conditioned on the binding pocket and functional groups, selects an optimal trajectory segment for editing via noise perturbation, and conducts a value-guided scaffold sampling to generate new scaffolds. Extensive experimental results demonstrate that, compared to baselines, RIDE consistently generates scaffolds with lower 2D similarity and higher 3D similarity to the reference, with an average improvements of 11.7% and 7.3%, respectively. Further analysis reveals that RIDE can accommodate various reward functions, and can preserve 3D similarity even when this is not explicitly included in the reward. Two case studies illustrate RIDE's ability to generate distinct scaffolds with different structures and properties, and its ability to introduce substantial 2D variation while maintaining very high 3D similarity. RIDE is publicly available at https://anonymous.4open.science/r/RIDE-C8A0.
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All authors Ruoxi Gao, Frazier N. Baker, Trieu Nguyen, Xia Ning

Machine Learning · Cross-listed from stat.ML

Elicitation and Decision Geometry in Single-Index Bandits

We study two-arm contextual bandits with arm-specific single indices and a shared unknown monotone link. Monotonicity makes the optimal action depend only on the contrast between the index directions, hence arm-specific reward functions need not be estimated. We introduce Natural Boundary Learning (NBL), a greedy procedure that uses a sequential Stein contrast to learn the optimal boundary directly, without estimating the reward functions or the common link. We characterize the local Riemannian dynamics of NBL through a decision stability coefficient balancing arm separation, link geometry, and the context distribution. We show that this stability is connected to the elicitation geometry of the underlying convex potential. Under local decision stability, NBL contracts toward the optimal boundary and achieves $O(\log n)$ expected regret. Numerical experiments illustrate the predicted stability regimes and compare NBL with a parametric greedy benchmark under link misspecification.
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Machine Learning

Cartridges++: KV Cache Compression without Off-Context Derailment

Serving long documents to a Large Language Model (LLM) repeatedly is expensive: computations grow with context length, and the memory footprint of the key-value (KV) cache balloons. Compressed KV (CKV) representations aim to mimic the cache of a document and are typically computed once and for all, ahead of inference time. Methods to obtain CKVs range from drop mechanisms that reduce their number of columns, to learned approaches. Among the latter, Cartridges have emerged as a leading compression method, learning compact KV representations through distillation on relevant Q/A pairs. While existing evaluations focus primarily on whether Cartridges and other CKVs yield approximately similar responses to document-related, on-context queries, we investigate the crucial deployment question of whether they can handle off-context queries, something the native KV representation is particularly good at, thanks to the mechanics of attention. We observe a fundamental trade-off: while Cartridges perform better for on-context queries, heuristic-variants preserve better the original LLM's ability to operate off-context. We measure this through their capability to avoid context contamination in their response, retain general knowledge, and follow instructions. We propose Cartridges++, simple modifications to cartridges that retain off-context abilities at small or negligible cost. The router variant decides at inference time whether the query should use the learned long-context memory, while the data-mixing variant allocates a small fraction of training Q/As to queries outside the reference long document. Our study shows that assessing CKVs on document utility alone can mask substantial degradation in broader model capabilities, yet those issues can be fixed with benign changes to CKV inference or training.
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All authors Sonia Laguna, Joao Monteiro, Marco Cuturi, Pierre Ablin, Eleonora Gualdoni

Machine Learning

Attention Graphons: A Graph Limit Perspective on Graph Transformers

Graph Transformers produce, for each attention head, a dense $n\times n$ matrix of learned pairwise interactions. We ask a fundamental question: do these attention-induced graphs converge to a stable limit object as $n$ grows, or does the learned interaction pattern remain unstructured and size-dependent? We answer this using dense graph limit theory, treating each attention matrix as a finite sample from an underlying kernel—an attention graphon—and studying concentration around this limit under the cut-distance. We derive a worst-case variance bound requiring no assumptions on the graphon, and a sharper regularity-aware bound based on nonparametric estimation theory. To operationalize the theory, we propose a canonicalize-then-block-average pipeline for estimating dataset-level attention graphons, and a variance-based diagnostic for testing whether attention admits a stable continuum description. Experiments across multiple graph benchmarks show that learned attention stabilizes to dataset-specific graphon structure on several datasets; that empirical cut-distance and cut-norm variance decreases with $n$ consistent with our bounds; and that attention graphons transfer to larger graph sizes with error decreasing in $n$.
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Machine Learning

Behavioral Foundation Models for Quality Diversity

Behavioral Foundation Models (BFMs) are an emerging paradigm in reinforcement learning, playing a role analogous to large language models in natural language processing: they have shown remarkable versatility, enabling zero-shot performance, fast imitation, and online adaptation, all by exploiting the structure of a latent space. In this work, we investigate whether the latent behavioral space induced by BFMs can serve as an effective search space to discover large repertoires of behaviorally diverse and high-performing policies through Quality-Diversity (QD) methods. While QD methods generally search directly in high-dimensional policy parameter space, in this paper, we present BFM-QD, a framework that performs QD search in the compact latent space of a BFM. We further show that the BFM-QD framework provides a closed-form, gradient-free policy improvement operator that approximates a policy gradient update, but requires no critic training and no backpropagation. Across continuous-control benchmarks spanning dense locomotion, sparse navigation, and contact-rich manipulation, BFM-QD consistently outperforms parameter-space baselines, with particularly stark gains in sparse and deceptive settings, where all tested parameter-space QD methods collapse to near-zero performance. These results show the effectiveness of the BFM-QD framework, benefiting from the synergy between dimensionality reduction of the search space and offline pretraining from diverse behavioral data. This positions BFMs as a general-purpose backbone for QD optimization, extending their utility beyond zero-shot task solving to the discovery of diverse behavioral repertoires.
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Machine Learning

EvE: An Alternate Optimizer to Adam

Adam and its variants dominate neural network training, but a single run only reveals whether a configuration works well after most of its budget is spent, a poor fit for hyperparameter or architecture search, where configurations must be ranked cheaply and pruned early. We introduce EvE (Evolutionary Explorer), a steady-state, population-of-four differential evolution (DE) optimizer with a targeted Adam fallback: each iteration proposes one candidate via DE, running a short burst of gradient descent only if the DE step fails to improve on the incumbent. Selection is greedy, so on a deterministic objective the best-so-far value is provably monotone non-increasing, and since gradients are used only as a targeted rescue, per-iteration cost stays within a constant factor of a single Adam step regardless of dimension. Under a fixed, evaluation-cost-matched budget, EvE wins or ties Adam on 76% of 70 (problem, dimension) cells across seven scalable benchmarks up to one million variables. On three real neural-network tasks (an MLP on MNIST, and LoRA fine-tuning of a 1.5B-parameter language model on two datasets) EvE finishes the same charged budget 1.7-3.9x faster, at a modest cost in final quality (about one accuracy point on MNIST, 9-11% higher relative test loss on the two fine-tuning tasks; on GSM8K, Adam is about 5 accuracy points more accurate, and fine-tuning lowers accuracy below the base model for both). Inside successive halving on UCI Adult, EvE completes hyperparameter and architecture searches 3.1-3.5x faster, ranking configurations about as consistently with Adam as Adam does with itself across seeds (Kendall's tau 0.66-0.69). EvE is not a total replacement for Adam as a final-stage trainer, but a fast, gradient-aware proxy for the search-heavy, budget-constrained regime one level up.
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Machine Learning · Cross-listed from cs.CV

On-Policy Self-Distillation for Multi-Turn Image Editing

Instruction-based image editing has achieved strong performance in single-turn settings, yet practical editing is often iterative, with each instruction applied to the output of the previous turn. We find that existing editing models degrade rapidly under recursive editing and attribute this failure to a train-test mismatch in the conditioning distribution: models are trained on clean source images but must repeatedly condition on their own imperfect outputs at inference time. To address this, we propose MT-OPSD, an on-policy self-distillation framework that trains the model on self-generated conditioning states with editing supervision from a clean-conditioned teacher, without requiring multi-turn annotations. We further introduce LME-Bench, a benchmark of 100 ten-turn editing sessions for evaluating long-horizon robustness. Experiments across three editing backbones show that MT-OPSD substantially improves long-horizon editing success and reduces multi-turn collapse while largely preserving single-turn editing quality.
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Machine Learning

Twist, Don't Tilt: Trajectory-Exact Constrained Decoding for Masked Diffusion Models

Constrained decoding for Masked Diffusion Language Models (MDLMs) aims to ensure that generated outputs satisfy a specified structure or syntax constraint. MDLMs generate outputs by repeatedly unmasking masked positions present in their current state. Recent strategies for constrained decoding constrain the model's per-step mean-field posterior (which factorizes over masked positions) by enforcing the desired constraint with an automaton. The resulting chain-structured factor graph allows exact constrained sampling via dynamic programming. However, despite each draw being exact and constraint-satisfying, we prove that their composition, in general, tilts away from the model's relative probabilities over valid trajectories, thus leading to trajectory bias. We derive an exact expression for this bias as a product of ratios measuring how valid continuation mass changes when the denoiser is reconditioned, and characterize when the bias vanishes. We then correct the bias by introducing TWISTER, the first automaton-twisted Sequential Monte Carlo decoder for MDLMs, using the step-exact decoder as the proposal. We show that for regular language constraints, the Feynman-Kac correction is exactly computable, with the twists obtained efficiently using quantities pre-computed for step-exact sampling. We prove that the resulting Feynman-Kac model targets the unbiased Doob h-transformed path law conditioned on constraint satisfaction.
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All authors Aditya Thimmaiah, Lara Marinov, Jayanth Srinivasa, Haris Vikalo, Junyi Jessy Li, Milos Gligoric

Machine Learning

Control-Geometry Straightening for Sampling-Based Latent Planning

Joint-embedding predictive architectures enable planning with latent world models, but accurate transition prediction alone does not ensure that the planning objective is easy to optimize. We introduce Control-Geometry Straightening (CGS), a single auxiliary loss that learns planner-friendly representations by directly straightening control geometry for sampling-efficient planning. CGS matches pairwise cosine similarities among actions to those among corresponding latent differences only using local transitions from pixel-action pairs. The loss can be applied across world-model architectures using end-to-end learned or pretrained representations. Under linear-dynamics, our theoretical analysis connects this objective to temporal straightening and more balanced terminal-cost curvature across the full planning horizon, yielding finite-budget guarantees for MPPI, local contraction results for CEM, and convergence bounds for gradient descent. Across four control environments and multiple planners, CGS improves planning with fewer sampled candidates and refinement steps, achieving success-rate gains up to 20 and 12.6 percentage points over LeWorldModel (LeWM) and its temporal-straightening variant (LeWM+TS), respectively, with sampling-based planners using 128 candidates per update. Probes, comparisons with DINO-WM architecture, and planner-side ablations clarify how latent motion organization, state dependence, and dynamical context shape planning behavior. Straightening control geometry thus makes good action sequences easier to find under limited planning budgets.
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Machine Learning · Cross-listed from stat.ML

Learning Conditional Expectation Operators via Functional Newton Updates

We introduce the Functional Spectral-Newton Method (FSNM) for learning the leading singular structure of a conditional expectation operator without fixing a basis or reproducing kernel Hilbert space. FSNM fits a low-rank representation of the centered joint-to-product density ratio kernel by alternating functional Newton updates. Each update reduces to a preconditioned regression, which we approximate with vector-valued regression trees in a stagewise boosting procedure. At the population level, we establish descent and an $O(1/T)$ best-iterate block-stationarity rate under a relative weak-learner accuracy condition, and show that every nondegenerate local minimum over the full centered $L^2$ spaces is a globally optimal rank-$d$ approximation. Synthetic experiments show that FSNM recovers a low-rank density ratio and its leading spectral structure, and that the same learned kernel can answer multiple conditional queries without refitting.
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All authors Thiago Ramos, Alek Fröhlich, Daniel Perazzo, Massimiliano Pontil

Machine Learning

Hardware-Aware Features for CUTLASS Kernel Selection

GPU libraries such as CUTLASS expose tens of thousands of semantically equivalent kernels for a single operation, making exhaustive autotuning expensive and execution-free selection difficult. Existing analytical selectors require hand-designed performance rules, while learned selectors operate on raw configuration parameters and must infer hardware consequences from data. We introduce a hardware-aware representation for CUTLASS kernel selection that augments candidate configurations with statically computable estimates of induced hardware behavior. We construct a dataset of 4.9 million CUTLASS kernels and train gradient-boosted and neural learning-to-rank models to rank candidates within each problem. On held-out exhaustive evaluation problems, hardware-aware representations reduce selection regret by up to 40% relative to structural baselines and 64.2% relative to NVIDIA's matrix-multiply heuristics. We further evaluate data-efficient cross-precision and epilogue-fusion transfer within CUTLASS GEMM, showing that explicitly representing candidate-induced hardware behavior provides a useful inductive bias for learned kernel selection.
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All authors Shriram Chandran, Dominic Rinderer, Yakup Budanaz, Alexandru Calotoiu, Marcin Copik, Torsten Hoefler

Machine Learning · Cross-listed from quant-ph

QC-Stark: A Multi-Task Benchmark Revealing Capability Dissociations in LLMs Evaluated on Quantum Computing Tasks

We introduce QC-Stark, a benchmark for evaluating large language models (LLMs) on 11 quantum computing (QC) tasks, spanning circuit construction, debugging, compilation, error correction, and simulation. Across 2,750 evaluations (10 models $\times$ 11 tasks x 5 difficulty levels x 5 seeds), we find that overall rankings mask substantial per-task variation. The Spearman correlation between overall and per-task rankings is statistically insignificant for 4 out of the 11 tasks included in this benchmark. A 2-parameter Item Response Theory (IRT) model validates measurement quality, and prompt sensitivity analysis confirms ranking robustness across prompt conditions. All tasks are auto-verifiable via execution, thus not requiring any manual evaluation. We make the code and data publicly available on Huggingface.
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Machine Learning

Output-aware Residual Stream Pruning for Large Language Models

Residual stream pruning methods reduce inference cost by shrinking the model's hidden dimension, but existing approaches typically choose these dimensions by minimizing activation reconstruction error. This criterion implicitly treats all perturbation directions as equally important, ignoring the sensitivity of downstream layers. We introduce a sensitivity-aware approach to residual-stream pruning that directly accounts for this direction-dependent sensitivity. Using a second-order approximation to the output KL divergence, we characterize the effect of a residual-stream perturbation through both its activation covariance and the local sensitivity of the model output. The resulting subspace selection objective couples these two quantities, but is difficult to optimize directly. We derive a tractable spectral upper bound that reduces subspace selection to an eigendecomposition of a sensitivity-weighted covariance matrix, retaining the efficiency and structural simplicity of rotation-based pruning methods. Across several instruction-tuned language model families, our method consistently reduces calibration KL divergence relative to activation-only pruning and improves perplexity and downstream task performance over a range of compression levels. Our results show that preserving activation energy alone is insufficient for residual-stream pruning, and that explicitly accounting for how perturbations propagate to the model output provides a more effective criterion for selecting dimensions to remove.
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Machine Learning · Cross-listed from cs.AI

Share-Borne AI Virus: Memory-Hopping Attacks Across LLM Agents

Large language models are increasingly deployed as stateful assistants that retain information across interactions and use tools to read, modify, and create persistent artifacts. As these artifacts are shared between users, they form an indirect communication channel between otherwise independent assistants. We study a failure mode in which this channel enables self-propagating attacks. We introduce artifact-mediated propagation, where adversarial content introduced through an artifact (e.g. a report), is stored in an assistant's persistent memory, reproduced in a subsequently created artifact, and acquired by another assistant that later reads it. We evaluate this process in temporal human-agent universes that model artifact exchange between independently operated assistants over time, measuring whether an attack survives successive hand-offs, how many hops it reaches, and how broadly it spreads. We find that attacks can propagate across multiple independent assistants and persist over extended interaction sequences. In larger simulated environments, even GPT-5.6 Luna exhibits substantial spread, reaching 60-80% of agents with propagation chains extending to eight hops. These results show that persistent artifacts can act as durable carriers of adversarial state, allowing attacks to outlive individual interactions and spread across isolated assistants.
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All authors Sidharth Pulipaka, Ansh Sharma, Stanislau Hlebik, Leonidas Raghav, Vyas Raina, Ivaxi Sheth, Mario Fritz

Machine Learning · Cross-listed from cs.CY

Beyond Energy: When Sustainability Dimensions Reshape LLM Serving Decisions

Large language model (LLM) serving has environmental impacts across energy consumption, carbon emission, water consumption, and biodiversity loss. Yet these dimensions are largely evaluated in isolation, leaving it unclear when and how they lead to different optimization decisions. We present PRISM, a unified framework for characterizing and optimizing LLM serving across energy, carbon, water, and biodiversity impacts. Our analysis reveals a fundamental distinction: computing configurations determine energy consumption, whereas where and when LLM serving is deployed determine its carbon, water, and biodiversity impacts. Under a fixed deployment choice and operational-only accounting, all dimensions preserve the same energy-based configuration ranking. Deployment rankings can diverge across dimensions, while embodied impacts can break configuration invariance when they exceed a lifecycle crossover boundary. PRISM identifies these conditions, quantifies cross-dimensional regrets, and balances the four dimensions. In regional-routing experiments, PRISM reduces median worst-case regret by 50.2% relative to the strongest baseline.
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Machine Learning

From Experience to Expertise: Adoption-Aware Memory Learning for Data-Scarce NPU Kernel Synthesis

High-performance kernels underpin efficient accelerator execution but require expert tuning and lengthy manual optimization cycles. LLM coding agents promise automation, yet their CUDA knowledge transfers poorly to data-scarce domain-specific architectures (DSAs) such as NPUs, whose execution models and memory hierarchies differ substantially from those of GPUs. To address this transfer gap, post-training methods adapt LLMs to NPU programming but depend on scarce expert data and substantial training compute. Memory-learning agents instead adapt through external memory, but their uniform credit assignment gives adopted and unused experiences the same reward target, potentially biasing subsequent retrieval rankings. Moreover, when learned values guide only retrieval, high-value experiences that generalize across operators must be retrieved repeatedly rather than retained in context, thereby increasing retrieval overhead and weakening cross-task guidance. We therefore present SAGE, a persistent self-improving agent for NPU kernel synthesis. Adoption-Traced Utility estimation (ATU) combines explicit adoption records with kernel evaluation outcomes for adoption-aware credit assignment. Utility-Gated Consolidation (UGC) uses positive utility and repeated adoption across operators to select and abstract reusable rules into a bounded resident context. On NPUKernelBench, SAGE achieves a 95.5% execution rate versus 84.1% for the strongest controlled baseline, with 86.9% of solved operators outperforming torch_npu. With GLM-5.3, SAGE achieves a 43.99x speedup over the torch_npu reference on sparse flash attention. These results show that adoption-aware credit assignment and selective consolidation enable agents to accumulate and reuse hardware-specific knowledge across tasks.
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All authors Longxiao Fan, Tao Zhang, Han Yan, Jiajun Li, Mingcong Song, Guoping Long, Hongjie Si, Weiwei Sun

Machine Learning

Simplex Diffusion Models

Diffusion models have revolutionized generative modeling for continuous data through the gradual refinement of a belief state. This iterative refinement has not yet carried over to discrete diffusion models, which discard uncertainty at intermediate steps through categorical sampling (information collapse). We propose Simplex Diffusion Models (SDMs), a framework that lifts the diffusion process to the probability simplex to represent beliefs over categories. SDMs admit probability paths with closed-form reverse transitions and can be trained with a simple cross-entropy loss. Contrary to earlier proposals such as Dirichlet Flow Matching which requires integrating an ordinary differential equation, we introduce a DDIM-like sampler with a tunable level of stochasticity. Because SDMs operate on samples on the simplex, they can carry uncertainty across denoising steps, which mitigates information collapse. On OpenWebText, SDMs are competitive with strong Discrete Diffusion baselines, achieving $17.0$ GenPPL at $5.46$ unigram entropy in 64 sampling steps, close to real validation data. Even without Self-Conditioning (SC), SDMs outperform masked and uniform diffusion (with SC or predictor-corrector sampling) on code generation (TinyGSM, $T=0.1$; $49.0\%$ vs. $45.8\%$). Distilled down to 8 steps, SDMs solve $32.1\%$ of GSM8K problems, more than distilled Discrete Diffusion models with 128 steps ($21.4\%$).
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All authors Justin Deschenaux, Alexandre Galashov, Andrew Campbell, Li Kevin Wenliang, James Thornton, Arnaud Doucet, Valentin De Bortoli

Machine Learning

Graph World Models for Constrained Epidemic Policy Planning

Epidemic policy planning often requires coordination between geographical regions, taking into account mobility-driven spillovers and how to make use of limited resources. Existing methods either lack action-conditioned models of coupled dynamics or cannot guarantee per-period feasibility. We present EpiMind, a graph world model framework for constrained epidemic policy planning across regions. A graph-factored recurrent state-space model generates joint policy-conditioned rollouts from regional latent beliefs, while graph-temporal ADMM optimizes regional interventions, enforces shared-resource feasibility through projection, and evaluates temporal specifications under the learned model. EpiMind reduces admission RMSE by 29% relative to graph-free dynamics modeling, plans within 1-5% of the best feasible constant policy with guaranteed shared-budget feasibility, and outperforms all deployable baselines across three resource budgets in real-context evaluation. These results demonstrate that graph-structured policy imagination with explicit constrained coordination supports effective epidemic interventions from learned dynamics.
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All authors Yiqi Su, Rashed Shelim, Lingyi Wang, Walid Saad, Naren Ramakrishnan

Machine Learning · Cross-listed from cs.CL

Less Sycophancy, Stronger Refusal? Lessons for AI Safety from Mechanistic Interpretability

Reliable refusal of harmful requests is essential to the safe deployment of language models. Because excessive eagerness to please users may undermine existing refusal capabilities, reducing sycophancy offers a potential route to stronger refusal beyond the harmful scenarios covered by safety training. We investigate this possibility using compensatory feature injection (CFI), a training technique designed to limit the acquisition of a target concept by supplying its associated activation during learning. Across three Qwen3.5 base models, we use sparse autoencoders (SAEs) to identify the top-ranked sycophancy feature from paired sycophantic and independent responses, then validate its behavioral influence through inference steering. We subsequently inject the selected feature during supervised fine-tuning on sycophantic targets. Positive injection reduces learned sycophancy after removal (by 62.0% relative to ordinary fine-tuning in 35B-A3B), whereas modest negative injection increases it. Unexpectedly, these reductions in sycophancy do not consistently improve direct refusal of harmful requests, motivating a narrower evaluation of the same harmful intents under user pressure. In this setting, ordinary fine-tuning on sycophantic responses substantially weakens refusal, while selected checkpoints trained with positive injection recover part of the loss, including approximately 95% in 35B-A3B. These findings show that persistent sycophancy reduction does not guarantee stronger direct refusal, while identifying recovery under user pressure as a distinct, conditional benefit of training intervention.
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Machine Learning

Learning the Robustness Mechanism with Bilevel Optimization

We propose a distributionally robust learning framework where parameters defining the robustness mechanism are learned from held-out data instead of extensively tuned. Using bilevel optimization with both upper and lower level minimax problems, we create two instances of our framework to tackle setups with and without group labels in the training set. Theoretically, we provide sample complexity analysis for our robustness mechanism learning paradigm, showing that it achieves generalization guarantees comparable to exhaustive grid search while being more computationally efficient. Empirically, we evaluate our framework under a challenging setup when both intra-group and inter-group test distribution shifts occur at the same time, thereby demonstrating the efficacy and scalability of our method.
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Machine Learning

Optimal Networks for Agentic Information Aggregation

We study information aggregation in the networked learning model introduced by Kearns, Roth, and Ryu (SODA 2026). There is a fixed distribution over $d$ features and a common label. Agents learn in topological order on a directed acyclic graph. Each observes a subset of the features and its parents' predictions, fits a linear predictor to minimize mean squared error, and passes only its prediction forward. The global predictor is the best linear predictor using all features. Kearns, Roth, and Ryu show that the output agent's error approaches the global predictor's error along sufficiently deep paths with suitable feature coverage, while insufficient depth can prevent aggregation even in large networks. In contrast to their main focus on a given graph and feature allocation, we consider the limits of the model under two settings. In the adaptive designer setting, a designer chooses the graph, feature allocation, and output agent knowing the distribution. In the oblivious designer setting, the designer fixes all three before an adversary chooses the distribution. Each agent observes one feature and receives predictions from a limited number of parents. We call the aggregation exact when the output agent matches the global predictor exactly. For $d\ge3$, we show that no finite depth guarantees exact aggregation for every distribution with one parent per agent, even when the designer knows the distribution. In contrast, two parents per agent suffice for exact aggregation even in the oblivious designer setting. A fixed graph, feature allocation, and output agent achieve this for every distribution at depth $O(d\log d)$. Knowing the distribution reduces the depth to $O(d)$. Both constructions use $O(d^2)$ agents, with a very large constant for two parents. We show the bounds on the depth and number of agents are all optimal up to constant factors.
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All authors MohammadHossein Bateni, Zahra Hadizadeh, MohammadTaghi Hajiaghayi, Mahdi JafariRaviz, Shayan Taherijam

Machine Learning

Let the Neurons Die: Exploiting ReLU-Induced Model Degradation

Rectified linear unit (ReLU) networks can suffer from dying neurons, where units with persistently negative pre-activations produce zero outputs, blocking gradients through their activations. To exploit this failure mode, we present three training-time availability attacks based on data ordering and poisoning. We begin with the basic dynamic data-ordering attack (DOA), which greedily constructs a training prefix by selecting the next example that minimizes the target layer's post-update weight sum, aiming to push ReLU units toward negative pre-activations without modifying training samples or labels. We then develop two poisoning attacks, IG-DOA and IG-SKA, which use gradient inversion to synthesize class-conditioned samples by matching reference gradients in adverse model states constructed through data ordering or soft knockout, respectively. Soft knockout rearranges weights across adjacent layers to concentrate negative contributions. On a fully connected ReLU network trained on MNIST, ordering 100 of 60,000 training examples reduces test accuracy from 96% to 95% after only five epochs. Adding 200 poisoned samples from a single class reduces test accuracy to approximately 86-88% after five epochs in most evaluated conditions, compared with approximately 96% under clean training. These results demonstrate that ReLU-targeted data ordering and poisoning can impair learning without directly modifying the victim model's parameters.
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All authors Kexin Li, Wenjun Qiu, Joshua Abraham, Aditi Maheshwari, David Lie