Machine Learning
Topological Simplification in Predictive Coding Networks
Adam Shaw, Jiayu Li, Michael Sperling et al. (+2 more)
We study the
topology of learned representations in predictive coding networks (PCNs), a neuro-inspired bidirectional architecture, using a quantitative layer-wise persistent homology analysis. We train well-performing PCNs on a synthetic classification
dataset ($\geq 99.9\%$ test accuracy) and on MNIST ($\geq 95\%$ test accuracy), and measure how topological features change across layers for different architectures and activation functions. We find that smaller PCNs collapse connected components across layers earlier than larger models (Spearman $\unicode{x1D70C} \in [0.72, 0.79]$ across activations), with model size measured as the sum of hidden-layer widths. We also observe a strong negative correlation ($\unicode{x1D70C} = -0.58$) between the depth at which simplification occurs and reconstruction error; i.e., architectures that simplify later reconstruct better. Finally, a seed-level bootstrap comparison across architectures and activations shows that PCNs consistently collapse connected components later than matched MLPs, with an average difference of $3.6$ layers. These results suggest that persistent homology offers a useful quantitative lens on the compression–reconstruction tradeoff in PCNs, and that both model capacity and the recurrent, bidirectional dynamics of predictive coding inference shape when this tradeoff is resolved across layers.
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All authors Adam Shaw, Jiayu Li, Michael Sperling, Michael Kim, Alvin Jin
Machine Learning · Cross-listed from q-bio.NC
Detecting high-frequency brain disorder signals using dynamic mode decomposition from EEG
Jacob Kang and Jong-Hyeon Seo
Recent studies have reported clearly identifiable dynamical changes in the high-frequency range of
EEG signals recorded during specific stimuli, such as visual or auditory inputs, or in cases of
brain disorders like epileptic seizures. In this study, we utilized Dynamic Mode Decomposition (DMD) to extract consistent and persistent dynamical changes in the high-frequency band from the signals of neurologically relevant
EEG channels. High-frequency DMD modes were employed as features, composing a feature table. Through post-processing, a random distribution test was performed, revealing that approximately 70% of the samples exhibited consistent high-frequency dynamics within the signal of a specific channel. Furthermore, classification experiments confirmed that the PCA components of the feature table that passed the test formed a consistent pattern that distinguished the alcohol-dependent group from the control group.
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Machine Learning · Cross-listed from stat.ML
A Hyperfinite Framework for Score-Based Generative Modeling
Sunder Ram Krishnan
Score-based
diffusion models are typically formulated using continuous-time
stochastic differential equations and measure-theoretic
stochastic calculus. In this paper, we develop a hyperfinite formulation of score-based generative modeling within the framework of Nonstandard Analysis. Starting from an internal
diffusion process on a hyperfinite grid, we derive the associated infinitesimal generator and establish its correspondence with the classical Fokker–Planck equation. We then obtain a hyperfinite backward-mean identity that yields the reverse-time drift and provides a constructive derivation of the reverse-time SDE. Building on these results, we show that minimization of an internal score-matching objective recovers the score function required by the reverse-time dynamics, thereby connecting score estimation with generative sampling directly at the hyperfinite level. Under suitable assumptions, we further derive a hyperfinite Girsanov formula and establish a relationship between likelihood optimization and Fisher-divergence objectives. Finally, we analyze the second-order consistency of the hyperfinite dynamics and show that the leading correction term depends explicitly on the fourth moment of the increment distribution, with the Gaussian value $\kappa=3$ eliminating the leading dispersion contribution. Taken together, these results provide a unified hyperfinite framework for
diffusion-based generative modeling–while laying foundations for further extensions–that links discrete grid dynamics, reverse-time
diffusion, score matching, and likelihood-based formulations within a common nonstandard setting.
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Machine Learning
Evaluation Blindness: How Silent Measurement Failures Corrupt AI Systems from Training to Deployment
Priyanka Bajaj
AI systems can fail silently. The failure propagates through training loops, evaluation pipelines, and production monitoring stacks until downstream harm makes it visible. This paper introduces evaluation blindness: a measurement function M exhibits evaluation blindness with respect to failure class F when it produces readings indistinguishable from a healthy state while the system is actually failing, with no auxiliary signal flagging the gap. The problem surfaces at two lifecycle stages the literature has treated separately. At training time, reward models are gamed, importance-sampling corrections are silently miscalculated, and
benchmark contamination inflates fine-tuning evaluations, all while loss curves look healthy and gradient updates proceed normally. At deployment time, monitoring fails to catch six classes of production failure, including an Operational category that is 100% silent by structural definition. We provide a formal detectability predicate unifying both stages. Four training-time case studies trace concrete breakdowns, including a real implementation bug in TRL PR #6594 where gradients are corrupted as loss decreases normally. A six-class taxonomy validated against 50 real-world incidents from court documents and regulatory filings finds that 53% of verifiable public failures were silent. A failure budget framework ties acceptable failure rates to use-case risk class. The implication is direct: measurement infrastructure is a correctness concern across the full AI lifecycle, not just at evaluation time. Data, code, and taxonomy schema are at https://github.com/priyanka25aug/llm-failure-taxonomy.
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Machine Learning
Neural Networks with Local Converging Inputs for Efficient Options Pricing Models
Harris Cobb, Wenbo Hao and Yingjie Liu
We present a novel application of Neural Networks with Local Converging Inputs (NNLCI) to improve the efficiency of existing numerical methods for pricing multi-asset options. The most concise input format for NNLCI has been introduced, offering substantial convenience and efficiency. NNLCI uses a neural network to locally correct solutions from a coarse mesh and a refined mesh (relative to the coarse one), requiring only a minimal amount of high-fidelity training data. We demonstrate this approach on cash-or-nothing options under the Black-Scholes equation in one, two, and three spatial dimensions, and on single-asset down-and-out barrier call options under the Heston
stochastic-
volatility model (whose pricing PDE is two-dimensional in the spot price $S$ and the instantaneous variance $v$). In each case, NNLCI reduces the root-mean-square error (RMSE) of the refined-mesh numerical solution by a factor of approximately 4-12 on test sets, even when the neural network is trained on only a small subset of parameter combinations. These results demonstrate that NNLCI significantly reduces computational requirements for high-dimensional problems in real-time options trading and risk management, offering low training costs and strong generalization ability.
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Machine Learning · Cross-listed from stat.ME
DAIF: A Data-Driven Intermediate Fusion Framework for Multimodal Supervised Learning via Approximate Message Passing
Sagnik Nandy, Samriddha Lahiry, Pragya Sur et al. (+1 more)
Multimodal supervised learning seeks to leverage multiple heterogeneous data sources to improve predictive performance. A central challenge is determining the fusion granularity across modalities: over-integration may amplify noise while under-integration fails to exploit cross-modal dependence. Existing approaches rely on pre-specified fusion architectures, from early to late fusion, that may not adapt to the underlying dependence structure among modalities. We propose DAIF, a data adaptive intermediate fusion framework that combines random
matrix theory and non-parametric dependence measures to learn fusion structure directly from data. We operate under a
Bayesian multimodal factor model where the prior on the latent factors determines the cross-modal dependence. Our method clusters modalities based on estimated intermodal dependence, then performs clusterwise empirical Bayes estimation of the priors. These estimated priors are used to construct denoisers within an approximate message passing (AMP) framework, yielding denoised low-dimensional features that borrow strength across related modalities while preserving modality-specific signal. The resulting
embeddings are used for downstream supervised prediction. We evaluate the framework through simulations under varying dependence structures and signal regimes, comparing against several
benchmark methods, and demonstrate its practical utility on two
multimodal datasets, namely a trimodal TEA-seq
dataset (Swanson et al., 2021) and TCGA-BRCA
dataset (Goldman et al., 2020). In the first example, we predict the expression level of a T-
cell differentiation marker
protein and in the second case we analyze patient survival prediction based on
multimodal information. Our method competes with or outperforms the state-of-the-art techniques in both prediction problems, demonstrating its versatility across diverse supervised learning tasks.
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All authors Sagnik Nandy, Samriddha Lahiry, Pragya Sur, Subhabrata Sen
Machine Learning
Escaping Oversquashing: Addressable and Support-Aware Global Memory for Message Passing Networks
Félix Marcoccia
Virtual nodes are a natural tool against oversquashing: they replace long message-passing paths by a two-hop global route. But when many nodes share one global state, that shortcut can become a bottleneck itself. We study two properties of this global
memory. First, addressability: under constant-margin address codes and a nonlinearity that amplifies this margin, multiplicative write/read maps provide $M$ selectable
memory rows with only $O(\log M)$ address-code dimensions. Cross-
attention slots and a constrained $ELU+1$ bilinear
memory both satisfy these conditions. Second, support awareness: normalized cross-
attention has no self-key for a latent query to use as a reference. A learned private anchor supplies this reference, keeps the read bounded, and exposes the strength of the matching source mass. We demonstrate the merits of such properties on several instances of Two-Radius and Tree-NeighborsMatch: both addressable realizations solve the controlled tasks through depth $5$, where pooled VNs of comparable or larger size reach about $10.6\%$.
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Machine Learning
Can Training Logs Make Model Comparisons More Precise?
Wei-Jung Huang
Comparing stochastically trained models requires estimating both a performance difference and its uncertainty from repeated runs. We study whether training logs from those same runs can make such comparisons more precise. Because training-log
covariates are produced during training rather than measured before it, we use arm-specific
covariate adjustment: each model is adjusted only with statistics from its own runs, and the raw mean difference remains the reported effect. In a
vision study spanning three architectures and three
datasets, simple adjustments based on early training logs often reduce uncertainty in model comparisons. The main limitation is
covariate selection. Broadly searching the log pool for the most correlated statistic often adds more noise than it removes, even when useful statistics exist in hindsight. Training logs therefore appear useful for more precise model comparisons, but only when the adjustment avoids large selection noise.
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Machine Learning · Cross-listed from cs.CL
ARCHead: Activation-Metric Residual Correction for Large Language Model Output Heads
Şuayp Talha Kocabay, Talha Rüzgar Akkuş and Kamer Ali Yuksel
Weight-only quantization substantially reduces the storage of large
language model (LLM)
transformer blocks, but practical backends often retain the final
language-modeling head (LM-head) in BF16 or FP16. Quantizing this projection naively can strongly perturb the vocabulary-logit distribution. We present ARCHead, a packed LM-head compressor that combines a quantized low-rank core, group-wise INT4 residuals, and a low-rank correction fitted in an activation-derived metric. ARCHead stores no dense BF16 head and reduces persistent LM-head storage by 3.7-3.9x. On Qwen3-8B-Base, it uses 25.6% of BF16 head storage while attaining 1.007 relative perplexity; storage-matched naive INT4 yields 1.14-1.16. Replacing the BF16 head left by AWQ or bitsandbytes adds only 0.006-0.007 cross-
entropy, with less than 2% throughput change in our measurements. ARCHead therefore complements block quantizers by compressing the large output projection they can leave untouched. Code is available at https://github.com/suayptalha/archead.
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Machine Learning
NANQ: Noise-Floor-Aware Mixed-Precision Non-Uniform Quantization for Analog Compute-in-Memory
Yizhe Chen, Wenshuai Yao, Saiya Wang et al. (+6 more)
Analog compute-in-
memory (CIM) enables energy-efficient neural network inference, but device variation and read noise can severely degrade low-bit quantized models. Existing CIM-oriented quantization methods mainly minimize ideal quantization error, ignoring the hardware noise floor and thus causing inefficient precision allocation. We propose NANQ, a noise-aware mixed-precision non-uniform quantization framework for analog CIM. NANQ models magnitude-dependent weight noise from measured responses of an eFlash CIM array and converts the noise profile into an adaptive quantization density, assigning finer resolution to low-noise regions while avoiding ineffective precision in noise-dominated regions. It further assigns layer-wise bit-widths by identifying each layer's precision saturation point under hardware noise using a unified threshold. On-chip experiments on an eFlash CIM SoC show that, under 2-bit weight-magnitude quantization, NANQ improves
vision-model accuracy by 8.05 percentage points and reduces
language-model PPL by 54.7% on average over PowerQuant. Mixed-precision NANQ captures most of the gains obtainable from additional quantization resources with only 3.2-3.8 equivalent bits.
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All authors Yizhe Chen, Wenshuai Yao, Saiya Wang, Yuannuo Feng, Wenbo Qi, Kechao Tang, Ngai Wong, Wenyong Zhou, Wang Kang
Machine Learning · Cross-listed from cs.AI
Explainable AI for the EU Right to Explanation: A Systematic Review of the Law-XAI Translation Gap
Benjamin Fresz, Elena Dubovitskaya and Marco F. Huber
When
algorithms make or influence consequential decisions—about loan eligibility, hiring, or healthcare—EU law grants affected individuals a Right to Explanation. Yet whether (and how) Explainable AI (XAI) can satisfy this right in practice remains poorly understood, with direct implications for individuals' ability to contest automated decisions that affect their lives. This paper presents a systematic literature review of XAI in the context of the EU Right to Explanation, with particular focus on Art. 15(1)(h) GDPR, Art. 86 AI Act (AIA), and related instruments. We consider papers published from 2024 onwards, as the final version of the AIA was published in July 2024—with Art. 86 being added late. From 2643 initial records identified by a deliberately broad search, we review 57 full texts, of which only 19 papers demonstrate substantive integration of both legal and technical perspectives, showing gaps in the interdisciplinary synthesis of the current regulatory framework. We document three problematic patterns across the corpus: Most misidentify the GDPR legal basis; few engage with the CJEU's Dun & Bradstreet judgment (likely due to publication timing); and the distinction between explanation form (governed by addressee) and content (governed by legal purpose) is often conflated. We conceptualize this as the Addressee/Purpose Framework, propose a four-phase blueprint for operationalization, and identify six concrete open research questions. Without further progress, the Right to Explanation risks remaining a formal obligation without a technically realizable path to compliance.
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Machine Learning
Measuring Explainer Stability via Attribution Separability
Eddie Conti, Álvaro Parafita and Axel Brando
Attribution methods (AMs) assign an importance score to each feature and are widely adopted to explain black-box models. However, most methods can produce variable attribution scores due to
stochastic components in their definition. In this paper, we propose a distribution-based framework to capture the stability of attribution scores. In particular, our approach allows to understand the degree of separability in the ranked attribution vector and obtain the largest index for which a feature ranking remains reliable. We further extend this framework to compare AMs based on the robustness of their rankings across a
dataset. Through experiments, we demonstrate how to apply our method to evaluate explainer stability. Overall, our approach provides a complementary criterion for evaluating the stability of AMs.
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Machine Learning · Cross-listed from cs.CR
Stylometric Defenses Against Author Impersonation in Software Repositories
Leonid Ravich and Michael Fire
Software supply-chain attacks increasingly exploit an identity gap where compromised maintainer accounts authorize malicious changes. This work evaluates patch-level authorship verification as a behavioral defense layer, showing that stylometric analysis can operate not only on full source files but also on patch-level commits. We fine-tune a cross-modal
transformer on more than 20 years of Linux kernel commit history to embed code diffs and commit messages into a unified stylometric space, achieving ROC AUC of 0.93 for open-world authorship verification. We then use these representations in a streaming anomaly detector suited to continuous integration and deployment (CI/CD) settings. We validate the pipeline on two retrospective supply-chain incidents involving different patch characteristics: the 2021 PHP
backdoor and the 2026 ForceMemo/GlassWorm campaign. Without retraining, the proposed detector surfaces both PHP forged commits within approximately 1% of the maintainer audit queue and ranks the 28 scoreable ForceMemo spoofs with a median per-repository review burden of 0.8%. These results indicate that cross-modal patch-level
embeddings can support behavioral triage against author impersonation in real-world repositories.
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Machine Learning · Cross-listed from cs.CL
Crayotter: Learning Long-Horizon Video Editing Agents via Group-Relative Preference Backpropagation
Lecheng Yan, Jianze Lin, Yichong Zhang et al. (+5 more)
Long-horizon
video editing
agents receive final-product feedback only after many interdependent decisions. Yet editing quality is subjective, admits multiple valid solutions, and is not meaningfully calibrated across heterogeneous requests, making a global scalar objective both ambiguous and temporally uninformative. Our key observation is that fixing the request, materials, and production constraints converts this subjective objective into an ordinal comparison among directly comparable alternatives. We introduce Group-Relative Preference Backpropagation (GRPB), which transforms same-task rankings into zero-sum advantages and redistributes them as bounded credit over semantic editing segments. A lagged allocator and guarded transmission prevent current judgments or unreliable estimates from directly shaping the same rollout group. We manually construct a project-disjoint, horizon-stratified suite of realistic editing tasks for training and controlled evaluation. Across matched baselines, credit interventions, external benchmarking, and blinded human evaluation, GRPB improves both editing behavior and rendered products. The resulting 9B Crayotter model surpasses several proprietary systems on AgenticVBench, supporting task-local preference reduction as a practical approach to learning from subjective, delayed outcomes. Code and all supporting materials are publicly available at https://github.com/idwts/Crayotter.
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All authors Lecheng Yan, Jianze Lin, Yichong Zhang, Ben Pan, Wenxi Li, Chenyang Lyu, Liting Zhou, Cathal Gurrin
Machine Learning
PatTree: a novel approach for automated creation of multimodal, graph-based patient representations for medical classification tasks
Julia Gehrmann, Lars Quakulinski, Hamza Naseem et al. (+1 more)
Access to holistic,
multimodal data improves the performance of Artificial Intelligence (AI) in medical classification tasks compared to utilizing single modalities or data sources. However, the inherent heterogeneity and complexity of clinical real-world data pose significant challenges to structured data analysis and AI application. This heterogeneity includes missing values, multiple time points, diverse modalities, and inconsistent formats and semantics. Data harmonization prior to data integration tackles this challenge but remains resource-intensive and error-prone, limiting the scalability and reproducibility of holistic, AI-driven decision support on clinical real-world data. We therefore propose PatTree, a graph-based, holistic representation of patients that can be derived from real-world clinical data through the automated structuring of
multimodal clinical data. PatTree enables early-stage data integration without relying on pre-standardized inputs. While representing heterogeneous clinical data within a unified knowledge graph, PatTree preserves the semantic relationships between data elements across modalities and data sources, facilitating interoperability and machine-interpretable data access. Using a subset of the ADNI-1 cohort (n = 763), we demonstrate that classification of patients is directly feasible on PatTree reaching state-of-the-art classification performance. In the three-class classification task distinguishing Alzheimer's disease, mild cognitive impairment, and cognitively normal individuals, we achieve a balanced accuracy of 98.5% and an F$_1$ score of 0.987 on the held-out test set. Our results show that assumption-free, automated structuring of
multimodal medical data can serve as a scalable foundation for clinical AI pipelines bypassing tedious data preparation and standardization.
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All authors Julia Gehrmann, Lars Quakulinski, Hamza Naseem, Oya Beyan
Machine Learning
Output-Aware Rotation for INT2 KV-Cache Quantization
Vincent-Daniel Yun, Woosang Lim, Minsoo Cheong et al. (+4 more)
The key-value (KV) cache has become a major
memory and bandwidth bottleneck in long-context large
language model inference, making ultra-low-bit quantization increasingly important. However, existing rotation-based INT2 methods optimize cache statistics or proxy errors before the complete
attention readout, even though the model is ultimately affected by the error propagated through
attention and the output projection $W_O$. To address this mismatch, we propose OptR, an output-aware rotation method that minimizes post-$W_O$
attention-output error. OptR decomposes the post-$W_O$
attention-output error into key- and value-induced terms and learns per-head orthogonal corrections through the full INT2 quantization and
attention path. OptR further applies an
attention-equivalent key reparameterization to reduce large channel-wise offsets without changing the softmax distribution. Across three models and five
reasoning and coding
benchmarks, OptR consistently improves both QuaRot and OSCAR and strengthens long-context
retrieval, while preserving the paged KV-cache format with negligible inference overhead.
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All authors Vincent-Daniel Yun, Woosang Lim, Minsoo Cheong, Sunwoo Lee, Murali Annavaram, Sai Praneeth Karimireddy, Sungjoo Yoo
Machine Learning
GLOBE: Trajectory-Aligned Gradient Matching with Structured SparseOptimization for Coreset Selection
Hetian Liu, Jin Cui, Mengcheng Shi et al. (+4 more)
On-device training of deep neural networks is fundamentally constrained by the computational and
memory costs of large-scale
datasets. Coreset selection offers a practical solution by retaining only a compact subset of real training samples. However, existing gradient-based methods commonly rely on gradients computed at a single model snapshot and employ greedy or pursuit-based selection procedures, limiting their ability to capture evolving optimization dynamics and handle strongly correlated samples. We propose GLOBE (Gradient Local-Balanced Extraction), a trajectory-aligned coreset selection framework that formulates sample selection as a globally optimized sparse weighting problem. GLOBE represents each sample by a gradient trajectory constructed across multiple training checkpoints, thereby capturing its influence throughout different stages of optimization. To preserve the training behavior of the full
dataset, we introduce a multi-order matching objective that jointly aligns the first-order mean and projected uncentered second-order moments of gradient trajectories. GLOBE further combines Group LASSO, Elastic Net regularization, and nonnegative budget constraints to induce group- and sample-level sparsity while stabilizing the weights of correlated trajectories. Finally, class-balanced Top-K selection maintains adequate category coverage under limited sampling budgets. Experiments across six
benchmarks and five evaluation architectures demonstrate that GLOBE consistently outperforms existing coreset selection methods in downstream test accuracy, particularly at low retention ratios. These results highlight the effectiveness of combining dynamic gradient information, multi-order distribution matching, and structured sparsity for data-efficient learning.
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All authors Hetian Liu, Jin Cui, Mengcheng Shi, Yanbin Hu, Xinyue Long, Boran Zhao, Pengju Pen
Machine Learning · Cross-listed from cs.CL
Stuck on "A": Diagnosing and Repairing Interface Injury in Attention-to-KDA Linearization of a 0.6B Language Model
Ronglong Bao
We convert 21 of 28 full-
attention layers of Qwen3-0.6B-Base into KDA (Kimi Delta
Attention) linear-
attention layers on a single consumer-grade GPU budget, and ask a simple question: what exactly does the conversion break? After surgery, hidden-state
alignment and end-to-end KL
distillation drive the student close to its teacher in perplexity, yet multiple-choice accuracy stays near random chance (25-29% vs. the teacher's 50.6% on C-Eval). Using a four-permutation diagnostic that rotates answer options while holding content fixed, we show the model sticks to option labels (predicting "A" 81% of the time; 106/161 questions keep the same label under all four rotations) rather than following answer content – an interface injury that standard
distillation metrics cannot see. A 1,000-step format-targeted completion-only KL stage repairs the interface (+12.48 points on C-Eval, label-stickiness roughly halved), after which persona SFT and one round of on-policy DPO preserve
benchmark scores within noise. We release code, weights, recipes, and the full audit trail, and distill the engineering lessons – including an FP32-master failure mode in which bf16 optimizer updates are silently swallowed – that made convergence possible at this budget.
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Machine Learning
Learning Molecular Representations from Cellular Phenotypes with Structure Preservation
Xuan Lin, Jingyu Sheng, Tengfei Ma et al. (+2 more)
Phenotypic drug discovery enables the discovery of functional relationships between molecular structures and cellular responses. However, existing
multimodal representation learning methods often optimize cross-modal
alignment without considering the intrinsic organization of chemical space, resulting in distorted molecular representations and loss of structural information. We propose PhenMol, a structure-preserving framework for phenotype-aware molecular representation learning. PhenMol disentangles molecular and cellular representations into shared and private components, enabling phenotype-guided
alignment while preserving chemical structures through a dedicated molecular branch. This design integrates cellular phenotype information without disrupting molecular neighborhood organization. Experiments on approximately $3.04 \times 10^{4}$ molecule–
cell morphology pairs demonstrate that PhenMol improves molecular property prediction across 270 bioactivity tasks, molecule–phenotype
retrieval, and clinical trial outcome prediction. Moreover, ECFP4-based structural analysis shows that PhenMol better preserves molecular neighborhoods and reduces
embedding distortion compared with existing
multimodal alignment methods. These results highlight the importance of structure-aware constraints in
multimodal molecular representation learning and provide an effective approach for integrating cellular phenotypes with chemical knowledge for drug discovery.
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All authors Xuan Lin, Jingyu Sheng, Tengfei Ma, Li Sun, Dapeng Xiong
Machine Learning · Cross-listed from cs.SE
TraceCompiler: Skill-Guided Mining and Compilation of LLM Agent Traces into Mostly Deterministic Workflows
Salma El Yadouni and Guanyi Li
Tool-using
language-model
agents repeatedly rediscover procedures they have already executed, producing traces that mix reusable structure with retries, exploration, accidental ordering, and repeated lookups. We present TraceCompiler, a skill-guided system that mines clusters of noisy
agent traces and compiles them into executable, mostly deterministic workflows. It admits an inter-tool dependency only when a consumer argument contains a value attributable uniquely to an earlier producer; every hard edge carries an auditable evidence tuple, and ambiguous relations are marked suspected and impose no ordering constraint. Bindings are classified as constants, user inputs, copied outputs, transforms, or residual LLM decisions. On T1, a mechanized form of the rule recovers producer-consumer dependencies at 0.928 precision and 0.943 recall over 15,775 def-use edges of its training split, against 0.711 F1 for adjacency and 0.712 for a frequency-thresholded directly-follows measure on identical data; the compiler skill run blind reaches 0.992 on 250 of those edges. On AppWorld we replay released trajectories in the deterministic simulator to recover masked return values and measure the rule against 563
token edges at 0.993 precision - a self-consistency check, since replay injects
tokens by a related heuristic. We compile two recurring intents: a Venmo money-request intent reduces 34 observed API calls to 11 runtime calls and, under leave-one-out execution against the
benchmark's own state tests, passes 15 of 21, the failing fold escalating rather than acting because its required branch was never observed; and a Spotify/Todoist intent the compiler correctly refuses to compile, because an irreversible side effect is under-determined. We measure call reduction but not offline compilation cost, so we claim no net efficiency result.
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Machine Learning
onepot-Bench 0: towards lab-aware in silico chemistry benchmarks
Brandon Wang, Andrei S. Tyrin and Daniil A. Boiko
Language models are playing an increasingly important role in laboratory science, performing tasks such as experiment planning, execution, and post-hoc analysis. However, precisely measuring their abilities is difficult, as scientific capabilities require a mixture of both problem-solving skills and domain-specific intuition. Existing evaluations rarely measure the capabilities required to make reliable decisions in a physical laboratory and often rely on public data that may have appeared in model training corpora. We introduce onepot-Bench 0, a proprietary
benchmark suite for evaluating
language models on synthetic chemistry capabilities relevant to wet-lab execution. onepot-Bench 0 comprises three complementary evaluations: ChemAbacus measures tool-free cheminformatics literacy and numerical
reasoning; SynthRefusal characterizes safety and refusal behavior across a variety of benign, controlled, and designer-drug targets; and SynthBench evaluates reaction-outcome prediction and catalyst selection using private experimental data generated in our laboratory. Together, these evaluations probe basic competency, reliability, and deeper knowledge, all skills which are required for reliable performance in the lab.
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Machine Learning · Cross-listed from cs.DS
The Condition-Number Barrier in Sparse Least Squares
Honghao Lin, Vahab Mirrokni and David P. Woodruff
In [AS21], Axiotis and Sviridenko conjectured that the linear dependence on the restricted condition number in sparse convex optimization cannot be improved by a
polynomial-time
algorithm. We establish their conjectured lower bound for least-squares objectives, conditional on the randomized exact-volume Small-Set Expansion Hypothesis in the weighted regular-graph formulation of Raghavendra, Steurer, and Tulsiani [RST12]. Concretely, for every fixed $\gamma\in(0,1]$, there is no randomized
polynomial-time
algorithm that, with probability at least $2/3$, returns a vector $x$ such that, writing $s=\lVert x\rVert_0$, \[ \lVert Ax-b\rVert_2^2 \leq \min_{\lVert z\rVert_0\leq k}\lVert Az-b\rVert_2^2+\varepsilon \quad\text{and}\quad s=O\!\left(k\,\kappa_{s+k}^{\,1-\gamma}\right), \] where $\kappa_r$ is the restricted condition number at sparsity level $r$. The result holds even on rational instances with $A$ of full column rank. The proof was first obtained using a fully automated Gemini-based agentic system developed internally at Google. The authors have verified the proof and edited it for clarity of presentation.
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Machine Learning
GradCuit: Credit-Assigned Gradient Flow Enables Robust and Interpretable Test-Time Latent Reasoning
Zhaoxin Yu, Qi Shen, Hengli Li et al. (+4 more)
Optimization-based latent
reasoning improves large
language model outputs by optimizing instance-specific continuous states at test time while keeping model parameters frozen. Existing methods, however, typically connect these states to the
reasoning trajectory through decoded
tokens, making sequence-level credit assignment indirect and obscuring how latent updates shape subsequent
reasoning. We introduce GradCuit (gradient through
circuit), which inserts optimizable latent states at a selected
Transformer layer between the hidden representations of the
prompt and the generated continuation. Causal self-
attention provides every continuation-
token log-probability with a differentiable path to every preceding latent state through the remaining
Transformer blocks, enabling reward-weighted gradients from the entire continuation to be assigned directly to the latents. Across five instruction-tuned backbones, three
reasoning benchmarks, and two answer formats, GradCuit achieves an average accuracy of 64.5%, outperforming chain-of-thought prompting by 6.6 percentage points and the strongest competing method by 2.4 points. GradCuit also demonstrates greater robustness: across seven learning-rate settings, it consistently outperforms LatentSeek while reducing the standard deviation of accuracy from 1.53 to 0.82, and even its random-walk variant remains competitive with LatentSeek. For interpretability,
token-level gradient attribution reveals that latent influence concentrates on
reasoning-connector
tokens, while layer analysis identifies early-to-middle
Transformer layers as the most effective optimization space. By directly optimizing internal
reasoning from outcome feedback, GradCuit opens a new axis of robust and interpretable test-time scaling, where LLMs adapt how they reason rather than merely regenerate, sample, or rerank outputs.
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All authors Zhaoxin Yu, Qi Shen, Hengli Li, Zhaowei Zhang, Song-Chun Zhu, Chi Zhang, Zilong Zheng
Machine Learning · Cross-listed from cs.RO
CoWAM: Coordination Contracts for Selective Policy Intervention with WAMs
Shuaijun Liu, Qifu Wen, Shuyang Hao et al. (+5 more)
World Action Models (WAMs) augment
robot policies with action-conditioned predicted futures, but a plausible future alone does not justify changing the action that a bimanual policy would execute. We present CoWAM, a selective intervention layer that expresses synchronization, role compatibility, and collision convergence as coordination contracts. Each contract combines typed admissibility checks with event-conditioned verification and calibrated intervention gates. CoWAM preserves the nominal action unless an alternative satisfies every active obligation and provides a clear, low-risk improvement; when the nominal action is also inadmissible, it invokes a predefined abstention fallback. To separate selector quality from proposal quality, all methods operate on identical candidate pools and commit their decisions before shared oracle labeling. Across eight simulated bimanual tasks, CoWAM improves coordination-valid selection by 16.7 percentage points over the contract-only variant and raises closed-loop success by 9.6 percentage points over the strongest selective baseline, while keeping harmful interventions below 1%. Together, these results establish coordination contracts as an effective interface for conservative policy intervention with predicted world-action evidence across coordination-rich bimanual tasks.
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All authors Shuaijun Liu, Qifu Wen, Shuyang Hao, Qi Luo, Chenglong Zhang, Feiyang You, Chengyu Wu, Ningxin Su
Machine Learning
Smooth Reparameterizations of Functions on Simplicial Product Spaces: Applications to Probabilistic Tensor Decomposition and Functional Data Registration
Shashwat Kumar, Arafat Rahman, Anuj Srivastava et al. (+1 more)
We consider optimization problems defined on product spaces of simplices. Examples of this class of problems include learning low-rank discrete multivariate probability distributions via simplex constrained tensor decomposition and performing functional data registration under the Square Root Velocity Function (SRVF) representation. In this work, we demonstrate the feasibility of replacing the product simplex with a smooth, elementwise strictly convex reparameterization, resulting in an unconstrained optimization problem on a
manifold. We show that performing such a reparameterization results in the second order Karush-Kuhn-Tucker (KKT) points on the smooth
manifold being mapped to the weak second order KKT points on the product simplex. This leads to a Riemannian Gradient Descent (RGD)
algorithm for solving the reparameterized problem, which outperforms Projected Gradient Descent (PGD), and provides a more faithful representation of the original function shapes while performing curve registration.
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All authors Shashwat Kumar, Arafat Rahman, Anuj Srivastava, P.-A. Absil
Machine Learning
Noise in Diffusion Models Is a Learnable Input
Shengzhi Deng, Chenqi Ye and Yanze Guo
Stochastic learning objectives are typically written as expectations over abstract random variables. Actual training, however, uses concrete random inputs that enter both the realized loss and its gradient. Structure in these inputs that is accessible to the learning system can therefore be learned and exploited. Much prior structured-noise work asks how noise should be distributed or designed; we instead ask what structure in the concrete realized randomness becomes exploitable by the learner. We develop this general view and analyze its mechanism in
diffusion models: in noise prediction, clean data and realized noise jointly form the noisy input, so the model can improve prediction by learning clean-data regularities or exploiting structure introduced through the noise, and the two routes can interact. Using pseudorandom streams as controlled, reproducible instances of structured noise, we provide mechanistic evidence on MNIST and CIFAR-10: random-role ablations localize the dominant effect to
diffusion noise; in a
diffusion probe, structured-noise training can reduce prediction loss below the IID reference, but replacing the test noise with IID reverses this advantage; and shuffling the same values largely removes the source-dependent loss reduction. This learned dependence can also affect generation. The same view offers a unified interpretation of data-dependent noise assignment, noise-based
backdoors, and temporally correlated noise in
video diffusion: although these methods introduce different structures, all alter what the model can exploit through noise and its interaction with clean-data learning. Our results indicate that
diffusion noise is not merely a passive
stochastic perturbation, but a learnable—and therefore potentially designable—input dimension.
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Machine Learning
Structured Memory for Edge Language Models: Persistent Context and Corpus Retrieval via O(1) SSM State Injection
Anusha Madan Gopal, Aras Pirbadian, Kristofor D. Carlson et al. (+2 more)
Retrieval-augmented generation (RAG) imposes a prefill cost proportional to retrieved context length, and – with
Transformer backbones – a KV-cache that grows with each generated
token. State-Space Models (SSMs) avoid the second cost by construction; we eliminate the first, collapsing prefill from $O(L_{context})$ to $O(1)$ per query. We introduce PRECOG (Pre-Computed Context Injection), a
retrieval mechanism that exploits a property unique to SSMs: the fixed-size, position-agnostic recurrent hidden state is a complete summary of everything the model has read. PRECOG pre-encodes document corpora offline as SSM hidden states and injects the best-matching state directly at query time, bypassing in-context re-ingestion entirely. The same state-injection mechanism enables SMC (Structured
Memory Consolidation): a hierarchical persistent
memory with cognitive-domain clustering, an adjustable fidelity-vs-storage dial, and $O(1)$ session initialization, which consolidates short-term episodic states into long-term semantic
memory and fuses both with retrieved corpus states at query time. We demonstrate the system on TENNs-LLM, a 1.2B-parameter gated-SSM
language model with a 192 KB hidden state. PRECOG matches in-context RAG answer quality, reducing prefill latency from $\sim$27 s to $<$6 ms on edge hardware – a $\sim$4500$\times$ speedup that crosses the threshold from unusable to interactive. The mechanism is architecturally impossible for
Transformer KV-caches, which are position-entangled and grow linearly with context length.
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All authors Anusha Madan Gopal, Aras Pirbadian, Kristofor D. Carlson, M Anthony Lewis, Jonathan Tapson
Machine Learning
Benchmarking Sheaf Neural Networks for Inductive Tasks
Stefano Fiorini, Edoardo Coppola and Pietro Liò
Sheaf Neural Networks (SNNs) generalize message passing by replacing scalar edge weights of standard Graph Neural Networks (GNNs) with learnable, edge-dependent restriction maps between node stalks. Despite their strong theoretical foundations and promising transductive results, SNNs have been evaluated almost exclusively on transductive node classification, leaving their behaviour under inductive protocols unknown. We address this gap through the first systematic
benchmark of the sheaf design space, evaluating three
diffusion mechanisms (neural sheaf
diffusion, sheaf
attention, and sheaf
attention with Graph
Attention Network v2), three restriction-map parameterizations, three stalk dimensions, and six modern GNN architectural components, within a message-passing reformulation that never assembles the heavy sheaf
Laplacian, making the full design space trainable under cross-graph batching. Across $1{,}890$ controlled experiments on 14 inductive
datasets, multiple insights emerge: restriction maps are the dominant design choice and general maps are preferable, larger stalks add capacity but not long-range reach, architectural components explain more performance variation than the entire sheaf-specific design space itself. Under a matched protocol, SNNs transfer to inductive settings but do not reach the strongest baselines, with gaps being
dataset-dependent. Practically, a single sheaf configuration can generalize across
datasets, so effort is better spent tuning the surrounding architectural recipe than the sheaf operator itself.
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Machine Learning · Cross-listed from econ.EM
A Simple Approximation to the Distribution of the Ridge Regression Estimator
José Luis Montiel Olea, Ryan Strong, Amilcar Velez et al. (+2 more)
We present a simple Gaussian approximation to the finite-sample distribution of the classical ridge regression
estimator. Our approximation captures the fact that, in finite samples, the ridge regression
estimator trades off bias and variance to reduce estimation and prediction error. Our approximation is based on nonstandard asymptotics where $i)$ we let the
estimator's regularization parameter grow proportionally to the sample size; and $ii)$ we treat the population regression coefficients as local to the reference vector that defines the
estimator's direction of shrinkage. In contrast to other asymptotic approximations in the literature, we allow for general forms of heteroskedasticity and autocorrelation in the data generating process (at the cost of considering a low-dimensional model where the number of
covariates is not allowed to grow with the sample size). We use our simple Gaussian approximation to propose two new strategies to select the regularization parameter for the ridge regression
estimator. The suggested strategies select the regularization parameter to minimize either average or worst-case excess prediction risk, where risk is computed using our suggested Gaussian approximation.
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All authors José Luis Montiel Olea, Ryan Strong, Amilcar Velez, Zhuoheng Xu, Haomin Yu
Machine Learning · Cross-listed from stat.ML
Interaction Is Not Necessary for Order-Optimal 1-Bit Mean Estimation
Jiachen Hu and Han Zhong
This paper is concerned with one-bit mean estimation, where each independent sample is represented by a single binary message. We consider distributions on $\mathbb{R}$ with mean in $[-\lambda,\lambda]$ and absolute $k$-th central moment at most $\sigma^k$, where $k>1$ is fixed. For this class, previous work attained the optimal sample complexity for general queries using a two-stage protocol. The first stage localizes the mean. The second-stage queries are chosen after localization and refine the estimate around the decoded center. We show that this interaction can be avoided by constructing a randomized fully non-adaptive protocol that fixes all queries before observing the data and matches the optimal adaptive sample complexity. For target accuracy $\epsilon$ and confidence $1-\delta$, its sample complexity scales as \[ \log\frac{\lambda}{\sigma} + \begin{cases} (\sigma/\epsilon)^2\log(1/\delta), & k>2,\\ (\sigma/\epsilon)^2\log(\sigma/\epsilon)\log(1/\delta), & k=2,\\ (\sigma/\epsilon)^{k/(k-1)}\log(1/\delta), & 1<k<2, \end{cases} \] up to constants depending only on $k$. In the range covered by the known lower bound, this rate is minimax optimal even among fully adaptive protocols. This gives a negative answer to the COLT 2026 open problem asking whether interaction is necessary for order-optimal one-bit mean estimation with general queries \citep[Open Problem~1]{lau2026open}.
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