Authors: Hao Liang, Qifeng Cai, Yibo Lin, Jianzhuo Du, Qifeng Xia, Sizhe Qiu, Linzhuang Sun, Meiyi Qiang, Zhaoyang Han, Xiaochen Ma, Bohan Zeng, Ruichuan An, Conghui He, Wentao Zhang
Abstract: The quality of training data fundamentally determines the capabilities of large language models (LLMs), yet no unified benchmark exists to measure how well LLMs, agents, and data-centric workflows actually prepare training data end to end. We view LLM-driven data preparation as comprising two complementary capabilities: data construction, which transforms raw sources into supervised training data, and data quality evaluation, which predicts the training value of candidate datasets before downstream training; throughout, "quality" refers to downstream training utility rather than surface-level textual properties. We introduce DataPrep-Bench, the first unified benchmark that jointly evaluates both capabilities under a shared downstream-grounded protocol over six domains and multiple base models. For data construction, methods consume identical raw sources and are scored by fine-tuning a base model on their outputs jointly with Dolly-15k; alongside this track we release Data-Construction-Skill, a skill-guided agent that lifts the Dolly-only baseline by nearly 20 points absolute on Llama-3.1-8B Finance and is competitive with the strongest agent- and DataFlow-based methods in knowledge-extraction-dense domains. For data quality evaluation, scoring functions are scored by Pearson correlation with downstream performance on a shared candidate pool; we release the Distributional Alignment Score (DAS), a distribution-based evaluator that uses MMD between a candidate dataset and a domain proxy. DAS attains the strongest cross-model correlation in four of six domains and is the only metric clearing r > 0.70 simultaneously in Math, Science, and Medical, outperforming existing quality-, diversity-, and heuristic-based evaluators. DataPrep-Bench provides a unified, downstream-grounded framework for measuring progress on both capabilities as co-equal targets of LLM-driven data preparation.
Authors: Rana Muhammad Usman
Abstract: Language models in production do not write prose. They fill forms: JSON fields, function arguments, extraction templates. We show that the form itself causes hallucination. We ask thirteen models the same question about the same input and change only the answer format. The inputs are built so the question cannot be answered: a viral post showing 12,400 likes but no visible replies, a support ticket whose call was never transcribed. In free text, GPT-5.5 answers honestly. It says there is no reply data, 98% of the time. Given a required JSON field for sentiment, the same model invents an answer 40 times out of 40. It fabricates the mood of crowds it never saw and quotes customers it never heard. The pattern holds with force. Required fields drive fabrication to 100% in ten of thirteen models. An explicit "insufficient evidence" option rescues only the frontier: all nine open-weight models ignore it. A direct instruction, do not infer sentiment, is overridden by the schema in four of six models. Resistance does not come with scale: within a single model family, the smallest model refuses, the mid-sized model fabricates, the largest refuses again. Honesty under format pressure is a training outcome that no one is measuring. The fabrication hides exactly where hedging is impossible: in required enums and minimum-count arrays, fields where no disclaimer fits. We release PhantomFill, a benchmark with deterministic scoring and two reportable numbers: the Coerced Fabrication Rate and the Escape Utilization Rate. The fix we test is one line of schema. The failure we measure is everywhere.
Authors: Yufeng Wang
Abstract: The Muon optimizer reaches the grokking threshold on modular arithmetic faster than AdamW. Prior work attributes this to "spectral-norm constraints plus orthogonalized momentum" but does not isolate which mechanism matters. To better understand Moun's behavior, we run multi-seed and multi-learning-rate sweeps to decompose and stress-test the effect. First, an ablation shows the speedup comes from orthogonalization (the Newton-Schulz iteration): orthogonalize-only matches full Muon, whereas spectral-only is no faster than AdamW and is unreliable, and this verdict holds across learning rates. Second, a mechanistic analysis finds that orthogonalizing optimizers reach generalization at roughly 3x lower spectral norm and, controlling for how much the embedding actually moves, settle into a lower-norm solution rather than simply perturbing the embedding less. Third, reducing the Newton-Schulz iteration count from five to one accelerates reaching the threshold but makes the grokked solution fragile, prone to transient collapse, with fragility that grows with learning rate; a single iteration is fast and stable only at small learning rate, while the canonical five iterations are the learning-rate-robust choice. We also show spectral scaling can be dropped at no measured cost. A methodological thread runs throughout: under a stability-aware metric, "faster" claims about grokking optimizers can invert, so we report both first-crossing and sustained-grok times. To support reproducibility, we release our full training and analysis code at https://github.com/louiswang524/muon-grokking-frontier
URLs: https://github.com/louiswang524/muon-grokking-frontier
Authors: Tolgay Atinc Uzun, Radu Timofte, Dmitry Ignatov
Abstract: Promising initial results in closed-loop large-language-model-based channel-configuration search demonstrated that neural-network widths can be optimized directly through executable code generation and accuracy feedback. However, those results were obtained from a relatively sparse set of valid evaluations, leaving open whether the observed optimization behavior transfers to a denser sampling regime and whether additional architectural regularities emerge when more generated networks are evaluated. To test this, the same search setting is scaled to 250 candidate networks per fine-tuning cycle. The analysis covers 2000 generated candidates from 8 complete cycles, yielding 462 verified CIFAR-100 evaluations after task and metadata filtering. Per-cycle mean accuracy exhibits a positive linear trend with slope 9.87e-4 (p=0.043), while the high-performing frontier improves more strongly: the best observed accuracy increases from 0.3144 to 0.3676, and both the top-5 and top-10 cycle-level means exhibit positive trends. The scaled run also reveals improved parameter efficiency. The best model reaches 0.3676 with 11.8M parameters, compared with an early high-performing model at 0.3144 with 166.5M parameters. Beyond accuracy, the larger sample exposes architectural regularities that were difficult to assess from sparse observations. Non-power-of-two channel widths occur in 41.8% of verified candidates, and the strongest models share structured channel-allocation patterns characterized by moderate early widths and expanded middle or later blocks. These findings indicate that the channel-search signal observed in the initial study transfers
Authors: Takato Yasuno
Abstract: Retrieval-augmented generation (RAG) over heterogeneous PDF collections remains challenging due to multimodal content, domain-specific terminology, and the need for multi-hop reasoning across dispersed evidence. We present Multimodal CoLRAG-TF, a four-axis fusion architecture that integrates dense text embeddings, BM25 keyword matching, knowledge-graph triple filtering, and image-based similarity for robust retrieval over complex documents. Our system constructs a multimodal index of 2,403 blocks extracted from 43 Japanese disaster lesson PDFs, supported by a hybrid OCR pipeline and LLM-based caption generation. To enhance compositional reasoning, we extract 11,414 OpenIE triples and index them with FAISS, enabling sub-second triple lookup and hierarchical propagation of relevance signals. A HippoRAG2-inspired coarse-to-fine retriever (volume $\to$ chapter $\to$ block) narrows the search space before final fusion scoring. Bayesian optimization over fusion weights reveals that the triple axis must dominate ($\alpha_\text{triple} = 0.44$) to counteract lexical bias and sustain multi-hop retrieval quality. Evaluated on a 457-pair benchmark, Multimodal CoLRAG-TF achieves a Retrieval Recall of 0.9909 and a 71.6$\%$ improvement in multi-hop answer similarity over single-hop queries. An image-to-lesson pipeline using a vision LLM further demonstrates the applicability of the approach to visual inputs. These results show that triple-filtered multimodal fusion is essential for structured reasoning over noisy, heterogeneous PDFs and provides a general framework applicable beyond the disaster domain.
Authors: Andrei Cristian Popescu, Haitz S\'aez de Oc\'ariz Borde, Pietro Li\`o
Abstract: Looped Transformers increase test-time computation by repeatedly applying a shared recurrent block. Learned halting objectives in looped Transformers typically use a single exit distribution both as the inference-time stopping rule and as the training-time weighting of per-depth losses. This entangles exit selection with trajectory formation: the gate not only chooses which recurrent state to use, but also determines how strongly each intermediate state is supervised. Consequently, poor adaptive-compute performance can arise from the readout, the induced trajectory, or their interaction. We study adaptive depth in looped Transformers through this trajectory--readout lens, across controlled synthetic tasks (modular arithmetic and binary parity) and large-scale Ouro-1.4B and 2.6B checkpoints. We find that fixed-prior depth supervision, which shapes the trajectory without an input-dependent halting policy, produces difficulty-aware trajectories whose intermediate states expose useful stopping signals, and that simple post-hoc confidence readouts often match or outperform learned linear and MLP gates. Fitting gates on frozen trajectories localizes the failure: it appears to stem mainly from the trajectory induced by joint gate training rather than from limited gate expressivity. The same pattern is present in Ouro evaluations, where pretrained ponder gates are competitive but not uniformly Pareto-optimal, and measured latency confirms that the resulting reductions in average exit depth translate into practical inference-time savings. Our systematic diagnostic evaluation reframes adaptive depth in looped Transformers as a joint problem of trajectory formation and exit readout, rather than gate learning alone, highlighting a distinction that prior learned-halting work has often left implicit.
Authors: Lei Cao, Sihang Feng, Jixin Yan, Tao Sun, Naichen Shi
Abstract: The state of a dynamic system evolves over time, switching among several latent modes that govern its observable behavior. Filtering methods infer the latent state from observations. Classical filtering approaches, including Kalman filters, typically rely on simple observation models, such as linear-Gaussian models, that are incapable of characterizing the increasingly nonlinear and heterogeneous patterns in high-dimensional sensor signals. To tackle the challenge, we propose Generative Bayesian Filtering (GBF), a filtering framework that replaces restrictive observation models with pretrained conditional generative models parametrized by conditional variational autoencoders (CVAE). For online inference, GBF performs a Bayesian prediction-update recursion in which the measurement update is formulated as a posterior sampling problem that combines the dynamical prior with the CVAE-induced likelihood. The resulting filtering problem is then transformed into a score-based sampling problem, which naturally inherits the flexibility from generative models and the uncertainty quantification capabilities from ensembling. Experiments on synthetic datasets and real-world applications involving manufacturing system monitoring and arrhythmia diagnosis demonstrate that GBF improves state estimation accuracy and robustness relative to baseline approaches.
Authors: Larry Richards
Abstract: This paper tests whether holonomy concentrates on active sparse-autoencoder (SAE) feature planes in Gemma 2 2B, a concrete operationalization of the broader semantic-concentration prediction. Holonomy is measured at the final-token layer-12 to layer-13 residual-stream readout by carrying a local frame around small loops using the instrument's restricted-Jacobian transport rule, then normalizing the resulting rotation by enclosed area. The design, materiality threshold, analysis, and verdict rules were preregistered and frozen before the analysed measurements were inspected. The prediction was falsified in reverse: active-feature planes carried less holonomy than matched mixed-feature controls, with an adjusted log contrast of -0.29439 and 95% interval [-0.43989, -0.14889]. A magnitude-only explanation was not supported in this design, while the three-way ordering across random, mixed-feature, and active-feature planes was undefined at matched magnitude because common support failed. Post-freeze diagnostics at the same readout supported the area law on a small validation subset, bounded matched-center displacement under a simple paired regression, and identified transport distortion as a live mechanism or confound. The result is therefore a narrow, auditable operational reversal, not a causal claim that meaning suppresses holonomy. The cause remains open, with activation-strength geometry, degree of feature engagement, dictionary geometry, matched-center displacement, activation-manifold proximity, and transport shear as live alternatives.
Authors: Jiawei Zheng, Jiazhen Zhang
Abstract: Large Language Model (LLM) ensembles are increasingly used to improve reliability by combining predictions from multiple LLMs. However, existing aggregation methods typically assume that all models are equally trustworthy, overlooking differences in uncertainty quality. This assumption is poorly suited to heterogeneous LLMs, whose reliability and capability vary significantly, making naive aggregation vulnerable to unreliable or adversarial experts. In this work, we formulate multi-LLM aggregation as a problem of uncertainty-aware trust estimation. We adapt structured expert judgment from decision theory, using context-aware calibration questions to estimate expert reliability based on the quality of its probabilistic predictions. Specifically, we employ Cooke-style log weighting, which penalises overconfident incorrect predictions and favours well-calibrated experts. We evaluate our approach on MMLU and MMLU-Pro across homogeneous, heterogeneous, and contaminated expert panels. Results show that while aggregation methods perform similarly in homogeneous settings, Cooke weighting becomes critical under heterogeneity and contamination. It achieves a superior accuracy-reliability balance and remains robust when unreliable experts are introduced. These findings suggest that Multi-LLM aggregation requires not just combining predictions, but calibrating trust under uncertainty.
Authors: L\'ea Billet (LAAS, INSA Toulouse, ANITI), Louise Trav\'e-Massuy\`es (LAAS-DISCO, Comue de Toulouse, ANITI), Elodie Chanthery (LAAS), Alexandre Gaffet
Abstract: Semi-supervised anomaly detection plays a key role in diverse fields such as process monitoring, healthcare, and finance. However, lightweight methods often struggle with high-dimensional data and typically require careful tuning of multiple hyperparameters. Among existing approaches, Christoffel Function--based methods are attractive due to their simplicity, requiring at most a single hyperparameter. They also benefit from a well-established theoretical foundation that yields several interesting results for data science. However, their main limitation is poor scalability to high-dimensional settings. In this paper, we introduce CLOE, a new method that combines an autoencoder for dimensionality reduction with a Christoffel Function--based detector applied in the latent space. To better align representation learning with anomaly detection, we design a novel loss function that leverages the Christoffel Function to guide the autoencoder toward representations that better capture the support of the normal data distribution. We further propose a principled procedure to set the detection threshold and an efficient strategy to tune the single remaining hyperparameter. Experiments on multiple high-dimensional tabular anomaly detection benchmarks demonstrate that CLOE achieves superior performance compared to existing methods, while preserving the lightweight and low-tuning advantages of Christoffel Function--based approaches.
Authors: Nadine Chang, Maying Shen, Jialiang Wang, Rafid Mahmood, Jose M. Alvarez
Abstract: Many modern AI systems are designed to operate under diverse, open-ended, use-cases. To help generalize deployed systems, many deployed-system maintenance pipelines use a reactive AI flywheel that observes emerging feedback from user behavior (errors) and patches the model accordingly. However, when used as the primary maintenance mechanism, these flywheels often ignore the broader context of these errors within the system's objectives, failing to preempt potential future edge cases, which leads to more unnecessary flywheel iterations. Also, it is statistically increasingly difficult to collect remaining errors due to the long-tail nature of open-world use-cases. This position paper argues that a proactive test-driven flywheel is required to address reactive flywheel's limitations and to approach a generalizable system. We advocate for creating a "test space" to technically map feedback data to task objectives, evolving the flywheel from reactive to proactive. We augment our position by mathematically proving a proactive one achieves better long-term scaling with fewer iterations than the reactive flywheel.
Authors: Marcos Florencio
Abstract: Portfolio construction under the Black-Litterman model requires investors to specify views on asset returns alongside explicit uncertainty estimates -- a process that remains largely subjective and difficult to scale. We propose a formal approach in which neural predicates serve as a structured, probabilistic mechanism for view generation. In our formulation, structured financial analysis data is processed through a compositional hierarchy of neural predicates whose outputs -- probability distributions over market stances -- are mapped to the pick matrix $\mathbf{P}$, the view return vector $\mathbf{q}$, and the view uncertainty matrix $\boldsymbol{\Omega}$ of the Black-Litterman model. View confidence is derived from predicate output distributions, providing a data-driven alternative to subjective uncertainty elicitation. The resulting approach is interpretable, in the sense that any portfolio weight can be traced back through the predicate's logical chain to the underlying data, and fully differentiable, enabling end-to-end learning.
Authors: Alicia Tierz, Ic\'iar Alfaro, David Gonz\'alez, El\'ias Cueto
Abstract: Traditional Predictive Digital Twins often remain geometrically rigid, requiring extensive retraining or fine-tuning whenever the underlying physical domain or boundary conditions change. To overcome this limitation, we present a novel framework for \textit{Zero-Shot Digital Twins} that seamlessly couples real-time visual perception with a geometry-agnostic, physics-informed reasoning engine. At the core of our architecture is the Thermodynamics-Informed Graph Neural Network architecture, a Geometric Deep Learning solver grounded in a metriplectic thermodynamic formalism that enforces energy conservation and non-negative entropy production locally through graph message passing. The framework integrates an auxiliary Graph Neural Network to infer unobservable fields (such as stress tensors or velocity and energy distributions) directly from sparse initial visual boundaries, mitigating numerical start-up transients. To bridge the sim-to-real gap, we implement a continuous closed-loop data assimilation mechanism; the pipeline tracks macroscopic deformations and free-surface fluid boundaries in real-time using deep segmentation networks combined with sparse optical flow, dynamically correcting the autoregressive simulation rollout and eliminating numerical drift. To test the validity of our approach, we demonstrate the extreme generalization capabilities of our approach across two disparate physical regimes: the large deformations of a viscoelastic beam and the non-linear sloshing of a viscous fluid. In both scenarios, the unified framework instantiates physically accurate simulations on novel, unseen geometries without case-specific retraining, operating well within real-time latency budgets (approximately 25 ms per frame) and enabling the direct projection of latent mechanical variables via Augmented Reality.
Authors: Huei-Chung Hu, Hsin-Tai Wu, Koyo Kobayashi
Abstract: We introduce ReliableTableQA, a framework for training an LLM to annotate the statistical reliability of tabular QA results, not whether the query is answerable, but whether the computed answer is statistically meaningful. In real enterprise analytics, a syntactically correct SQL query can return a value that is based on too small a sample, has an excessively wide confidence interval, or is too confounded to support action. Existing systems answer confidently in all such cases, a failure we quantify as the Unreliable Confident Answer Rate (UCAR). We contribute (1) a ten-category reliability taxonomy (R1-R10) covering hazards such as small-sample aggregates, multiple-comparison inflation, and distribution-tail mismatch; (2) a program-first data pipeline that generates 50,000 reliability-labeled training examples from a context-free grammar over public retail schemas, with schema-stratified SFT/GRPO splits; and (3) a controlled study of how much supervision calibrated reliability annotation actually requires. We find that a small, schema-stratified SFT set is remarkably sufficient: 200 examples raise reliability-flag F1 from 0.61 to 0.98 and parse rate from 0.52 to 1.00, drive UCAR to zero, and yield a model that generalizes to an unseen retail domain (Rel-F1 0.997 on held-out H&M). Against this strong SFT baseline, GRPO, commonly assumed to be essential, helps only when SFT is under-trained (+0.06-0.16 exact-flag-set match at 100 examples, in- and out-of-distribution) and provides no measurable benefit once SFT is adequate, a null result we confirm across a hard compound-flag slice, a strict exact-match metric, and out-of-distribution evaluation. Our findings reframe reliability annotation as a data-efficiency problem and delineate precisely when reinforcement fine-tuning does and does not pay off.
Authors: Yitao Jiang, Yaoqing Yang, Luyang Zhao, Muhao Chen, Devin Balkcom
Abstract: Long-context Transformer inference increasingly relies on KV-cache compression or quantization. Prior rotation and transform-coding results suggest that the channel basis of each key/value vector affects how faithfully a fixed backend preserves model behavior. We introduce Codec-Gauge, a post-training cache-coordinate layer that learns small orthogonal channel transforms around existing compression and quantization backends. Its frequency-distribution objective combines a token-channel DCT spectral-centroid loss with a smooth rate proxy to concentrate KV energy in low-frequency codec-facing layouts. We evaluate actual compression and decompression using measured bytes and rolling compressed-history scoring. Across six models at $3$, $4$, and $6$ bits/value, learned gauges reduce zfp KL divergence by $44.0\%$ on average relative to raw coordinates and outperform random, Hadamard, DCT, and PCA/KLT controls. The same gauges improve quality preservation for block-uniform and KIVI-style quantization. Experiments on a 27B model and long-context task prompts reproduce the quality trend, while serial storage and timing measurements validate the implemented compressed-cache paths. These results establish cache-coordinate geometry as a practical post-training variable for improving compression fidelity without changing model weights, attention semantics, or backend coding rules.
Authors: Kyunghoon Hur, Eunjung Jeon, Hyun Woo Kim, Gyubok Lee, Seongjun Yang
Abstract: While deep learning has accelerated drug discovery, its impact on biomanufacturing has been considerably more limited. The reason is data scarcity. Bioreactor experiments are high-cost, take days to weeks, and are rarely shared in public form, leaving each research work with only a handful of experiments. The domain itself, however, is rich in prior knowledge. Biokinetic ordinary differential equation (ODE) models have described microbial growth for decades, yet how to inject this knowledge into a neural network has not been studied systematically. We present the first systematic study of how to inject this ODE knowledge into a neural network, comparing a data-level prior that pre-trains a generic decoder on simulated ODE curves against an architecture-level prior that embeds the ODE inside the decoder. Both consistently outperform no-prior baselines across 11 datasets and 7 microbial species. Our central finding is that the two are substitutable. A generic decoder pre-trained on simulation matches a fully bio-structured decoder trained on real data. Simulation pre-training therefore offers a simple, data-efficient recipe for deep learning under bioprocess data scarcity.
Authors: Luca Ambrogioni, Giulio Franzese, Alberto Foresti, Gabriel Raya, Bac Nguyen, Georgios Batzolis, Yuhta Takida, Naoki Murata, Chieh-Hsin Lai, Yuki Mitsufuji
Abstract: How should a diffusion model decide which noise levels to train on, and how much? Despite the importance of this choice, current noise schedules are based largely on heuristics or empirical tuning. Here, we develop a general statistical framework for studying asymptotically optimal noise-level allocation in diffusion training. Our first main result concerns the fully coupled regime, where information can spread between different time points. Under convexity or Polyak-Lojasiewicz-type assumptions, we show that the optimized training schedule admits an atomic minimizer, concentrated on finitely many noise levels. Our second main result specializes this framework to an idealized independent-learner regime, intended to model temporal specialization in neural networks. Under an additional feature-noise decoupling condition, a random-matrix analysis leads to an information-theoretic proxy: the decoupled sampling density is proportional to the square root of the generative entropy rate, the rate at which conditional entropy grows along the forward process. We test these predictions in controlled settings where the coupled objective can be optimized directly, including Dirac mixtures, low-dimensional manifolds, and MNIST. In these settings, the optimized schedules are consistently finite-support, while the smooth entropic proxy closely tracks the atomic optimum in neural-network models and breaks down mainly in the fully coupled parametric case, as the theory suggests. We then evaluate the entropic schedule in larger-scale experiments, where full schedule optimization is currently intractable. The results indicate that square-root entropy scheduling can substantially improve training efficiency on discrete domains and remains competitive with standard EDM-style heuristics on continuous images.
Authors: Dimitrije \v{Z}drale, Cassie An Jeng, Katie Wang, Sonia Vanier, Alexandre Bayen, Hossein Nick Zinat Matin
Abstract: We introduce HypNO, a graph-based neural operator for scalar hyperbolic conservation laws. HypNO operates directly on a space-time graph of finite-volume cells and uses adjacency-factored, physics-informed message passing to respect upwinding and entropy admissibility near shocks. We benchmark the architecture on the Lighthill-Whitham-Richards (LWR) and Aw-Rascle-Zhang (ARZ) traffic-flow models, a stress test for operator-learning methods because of their simultaneous global transport and shock formation. HypNO predicts solution snapshots accurately across a range of initial conditions while capturing the shocks and discontinuities of the solution.
Authors: Angel Tsai-Hsuan Chung, Jatu Abdulai, Patrick Bayoh, Lawrence Sandi, Francis Smart, Hamsa Bastani, Osbert Bastani
Abstract: A critical challenge in healthcare systems in low- and middle-income countries (LMICs) is the efficient and equitable allocation of scarce resources, particularly essential medicines. This problem is complicated by limited high-quality data, which restricts the applicability of traditional data-driven techniques. We propose a novel decision-aware machine learning framework for essential medicines allocation, which additionally leverages multi-task learning to ensure sample efficiency and catalytic priors to ensure equitable allocation. In collaboration with the Sierra Leone national government, we performed a staggered, nationwide deployment of our system as a decision support tool. Our econometric evaluation finds an estimated 19% increase in consumption of allocated products in treated districts, demonstrating its efficacy at improving access to essential medicines. Our tool was subsequently scaled nationwide, covering an estimated 2 million women and children under five. Our work demonstrates how machine learning methods can improve efficiency at very low cost in resource-constrained global health settings.
Authors: Todd Zhou
Abstract: Reinforcement learning with verifiable rewards (RLVR) can improve one-sample accuracy while making a model worse under repeated sampling. We study this pass@k inversion: after training, the policy may solve fewer distinct problems than its base model at large $k$. The failure concentrates on boundary prompts, where the base model contains rare correct trajectories that are recoverable by sampling but too sparse to reliably appear in finite RLVR rollout groups. We argue that a two-mode account explains this as an absence-of-evidence failure: rare correct trajectories may disappear before RLVR samples and reinforces them often enough. The main contribution is this diagnostic and mechanistic framing. Per-Problem Base Anchoring (PBA) is a deliberately simple proof-of-concept: sharpen prompts with sufficient frozen-base correct evidence, and anchor risky prompts to the base distribution. Across three training seeds on Omni-MATH-Test, with MATH500 as a secondary high-coverage validation benchmark, PBA improves both \PassK{1} and high-budget coverage over matched GRPO. A 3000-prompt regime-controlled diagnostic study is consistent across seeds with the expected signature: ordinary GRPO loses base-solvable boundary prompts, while PBA preserves rare verifier-positive trajectories. We use mathematical verifiers as a controlled testbed for verifier-guided optimization; the same pass@k inversion risk applies to ECCV-relevant vision-language agents when repeated visual, spatial, or chart-reasoning attempts are checked by external tools or verifiers. Reasoning post-training should decide not only how strongly to optimize, but which prompts are safe to optimize.
Authors: Esrat Farhana Dulia, Syed Arbab Mohd Shihab, Caleb Adams, Ruben Del Rosario
Abstract: Safe Advanced Air Mobility operations require aircraft to maintain separation when surveillance information is noisy, delayed, incomplete, or temporarily unavailable. This study develops a Deep Q-Network-based Multi-Agent Reinforcement Learning framework for decentralized conflict resolution among heterogeneous small unmanned aerial vehicles and electric vertical takeoff and landing aircraft operating within a structured three-dimensional corridor. Separate policies are trained for the two aircraft categories using local observations and a 14-action space that includes maintaining course, turning, vertical maneuvering, landing, and speed control. The simulation incorporates aircraft-specific dynamics, energy use, corridor constraints, observation noise, communication delay, information dropout, wind disturbance, actuator uncertainty, and model uncertainty. The trained policies are evaluated across 90 combinations of traffic density and minimum separation thresholds. Loss-of-separation frequency and duration generally increase with traffic density and separation requirements, although most events are resolved within 1s. Under safe conditions, agents maintain their motion approximately 79% of the time. During conflicts, turning accounts for 33% of actions, followed by maintaining motion at 29%, speed control at 25%, and vertical maneuvers at 13%. Six Pareto-optimal configurations reveal trade-offs between safety and corridor capacity. The framework supports the simulation-based evaluation of safer AAM conflict-resolution strategies under degraded surveillance conditions.
Authors: Mikail Khona, Aditya Vavre, Boxiang Wang, Deyu Fu, Hao Wu, Mike Chrzanowski, Bryan Catanzaro, Dheevatsa Mudigere, Jeff Pool, Michael Lightstone, Mohammad Shoeybi, Mostofa Patwary, Nima Tajbakhsh, Tijmen Blankevoort
Abstract: Higher-order optimizers such as Muon and SOAP offer faster convergence than AdamW, but their computational cost and numerical stability challenges have limited adoption at scale. In this work, we adapt and enhance preconditioned gradient methods to overcome the practical challenges of large-scale LLM pretraining. We first identify instabilities in SOAP at large batch sizes and propose algorithmic modifications including per-step QR orthogonalization and improved preconditioning strategies that eliminate loss spikes and enable stable training in these regimes. We then present a unified empirical study of SOAP, Muon, and AdamW using update-RMS matching to ensure fair learning rate transfer across optimizers. As part of this analysis, we empirically evaluate the orthogonalization quality of Muon. Our experiments on multi-billion-parameter models trained on trillions of tokens reveal that SOAP and Muon consistently outperform AdamW at the scales we tested. Notably, at batch sizes of up to 100M tokens for next-token prediction, these optimizers maintain training stability and quality while AdamW degrades. To enable efficient training at large scale, we introduce a layer-wise distributed optimizer compatible with Megatron-LM. Our implementation balances memory and hides communication while avoiding approximations to the optimizer computations, thus retaining their convergence benefits. Additionally, we identify and build specific system-level improvements to further accelerate our layer-wise implementation. To support the research community, we release a codebase that contains emerging algorithms for optimization: https://github.com/NVIDIA-NeMo/Emerging-Optimizers
Authors: Eni Solomon Laughter
Abstract: Trajectory datasets used in ADAS evaluation are heavily biased toward routine driving; genuine vehicle-to-vehicle conflict events are rare, and the rarer the event, the higher the cost when an ADAS system fails to handle it. Existing generative approaches address this imbalance by conditioning on scene-level properties - spatial goals, agent structure, or natural-language adversarial objectives - but none can accept a target Time-to-Collision (TTC) value as input and be held to producing it within a measurable error. This paper introduces SevDiff, a severity-conditioned denoising diffusion probabilistic model (DDPM) that accepts a requested minimum TTC value as a scalar conditioning signal and generates paired vehicle interaction trajectories whose realized conflict severity matches the request, evaluated through a hit-rate metric. Trained on 468 interaction windows extracted from the UTE SQM-W-1 expressway weaving-section dataset (1,041 vehicles, 822,691 observations after smoothing), SevDiff achieves 100% hit-rate within +/-0.5 s for TTC targets of 0.5-1.5 s and 97-99% at 2.0-2.5 s, with graceful degradation to 39% at TTC = 5.0 s. Generated kinematic features are physically plausible, with a maximum out-of-range rate of 4.7% across 12 features and no negative speed or gap values in more than 96.5% of samples. The hit-rate degradation pattern is physically interpretable as the strength of the conditioning signal relative to the training prior, making it a precision characterization of the generator rather than a pass/fail result.
Authors: Tianming Han, Zhijie Pan, Wenchi Ge, Qi Zhao
Abstract: The traditional "one drug, one target" paradigm of structure-based drug design (SBDD) frequently proves inadequate for treating multifactorial diseases such as cancer and neurodegenerative disorders, owing to compensatory signaling pathways and the emergence of drug resistance. While polypharmacology offers a synergistic therapeutic strategy, the rational design of ligands capable of simultaneously satisfying the geometric constraints imposed by multiple targets remains a major computational bottleneck. This review positions geometric deep learning (GDL) as a powerful integrative approach to overcome these limitations. We systematically survey GDL architectures ranging from invariant graph neural networks to SE(3)-equivariant diffusion models that harness non-Euclidean molecular data to capture intrinsic three-dimensional (3D) structural interdependencies. We critically analyze GDL applications across three core dimensions, including the characterization of shared binding pockets via geometric embeddings, multi-target bioactivity prediction through heterogeneous graph fusion, and de novo generation of dual-target ligands. Particular emphasis is placed on emerging structure-conditioned generative algorithms that integrate diffusion models with reinforcement learning to autonomously resolve complex geometric conflicts between competing binding sites. Furthermore, we evaluate the pivotal role of multimodal omics integration and specialized geometric benchmarking infrastructures in validating these models. By synthesizing these methodological advances, this review elucidates the paradigm shift in drug discovery from serendipitous exploration to rational, structure-driven polypharmacological molecular engineering, thereby providing a clear, structured guide for navigating the complexities of next-generation therapeutics.
Authors: Tianming Han, Li Zhang, Qi Zhao
Abstract: Effective molecular representation learning is crucial for accurate molecular property prediction. Recently, numerous self-supervised learning (SSL) approaches leveraging 3D GNNs have been developed to capture comprehensive 3D structural information for drug discovery. However, existing methods lack explicit physical constraints and are highly susceptible to geometric noise induced by coarse empirical force fields during large-scale pre-training.Furthermore, they overlook dynamic feature modulation during downstream adaptation, often resulting in catastrophic forgetting and negative transfer. To address these limitations, we introduce SenCos-GEM, a novel explicitly decoupled geometry-enhanced molecular representation learning framework that incorporates SENet-calibrated and law-of-cosines-constrained enhancements. SenCos-GEM employs a physics-guided geometric consistency loss based on the law of cosines to derive high-fidelity and mathematically invariant 3D spatial priors. In addition, lightweight Squeeze-and-Excitation (SE) modules are integrated into the backbone as task-specific adapters, while a dual-modulation prediction head combines Feature-wise Linear Modulation (FiLM) and SENet mechanisms to enable dynamic feature recalibration. SenCos-GEM demonstrates highly competitive performance across diverse classification and regression tasks on MoleculeNet benchmark, establishing new state-of-the-art results specifically on 3D conformation-sensitive regression tasks, such as FreeSolv, Lipophilicity, and QM9, achieving relative error reductions of 12.9% (RMSE), 5.3% (RMSE), and 8.2% (MAE), respectively. Moreover, our model exhibits superior capability in distinguishing stereoisomers and discriminating conformational perturbations, underscoring its robust spatial modeling performance. Collectively, SenCos-GEM represents a significant breakthrough in accurate molecular property prediction.
Authors: Chitraansh Pandey
Abstract: Grokking -- the delayed generalization of neural networks long after they have memorized their training data -- wastes thousands of training epochs and is notoriously unpredictable. Building on the recent result that Transformer attention is formally isomorphic to a thermodynamic system, we treat the variance of attention logits as a specific heat Cv and show that its peak reliably precedes the generalization transition. We introduce CvAdamW, a drop-in AdamW variant that monitors Cv online and injects thermal energy by dynamically scaling weight decay when a phase transition is detected. Through a strictly iterative development process we identify three failure modes -- initialization noise, mini-batch micro-ripples, and slingshot blinding -- and resolve them with a memorization gate and an exponential-moving-average shock absorber. On modular arithmetic (a+b mod 97), CvAdamW enables grokking at epoch 2802 in a 4000-epoch budget where the baseline never groks. We further propose a scale-invariant z-score reformulation that removes task-specific hyperparameters, and evaluate it across 10 paired seeds. A paired analysis shows the cold-start variant reduces mean grokking latency by 257 epochs (6.0%; median 166 epochs; Wilcoxon p=0.049, Cohen's d=0.68, bootstrap 95% CI [53,489]), improving 8 of 10 seeds; on this single task Cv peaks before grokking in all 10 seeds. Our results indicate that neural networks may expose detectable precursors of impending generalization transitions, and that a physically motivated, proportional intervention can facilitate generalization within a fixed compute budget. Code and data are public.
Authors: Bryce A. Christopherson, Jack Baretz, Darian Colgrove, Salah Dandan
Abstract: The lottery ticket hypothesis proposes that large random neural networks contain sparse subnetworks that can match the performance of dense models after comparable training. A stronger version asserts that sufficiently overparameterized random networks contain subnetworks that are already accurate before any weight training. Existing theory establishes that such strong lottery tickets exist, but reliable extraction remains difficult. We revisit edge-popup, a frozen-weight score-training method for extracting strong tickets, and identify layerwise sparsity selection as a central bottleneck. We introduce double-scoring, an augmented score-space parameterization that replaces a layerwise sparsity search with optimization over enlarged score tensors. We prove that fixed-density masking in an augmented score space preserves access to all original-coordinate masks, and we show that the resulting method can be interpreted as edge-popup on a zero-augmented network. In controlled experiments, double-scoring substantially improves strong-ticket extraction over fixed-density edge-popup and pruning-at-initialization baselines, improves on the performance of rewound sparse-training topologies, and exhibits markedly lower sensitivity to sparsity hyperparameters. Ablations show that the gain is not merely due to additional trainable score parameters, but is tied to the augmented score-space competition that induces the effective original sparsity.
Authors: Hesen Chen, Xinyu Su, Xiaomeng Yang, Yuetan Lin, Zixiong Yang, Junyi An, Fenglei Cao, Yifeng Jiao, Yunqi Zhang, Yuan Cheng, Zhiyu Tan, Hao Li, Libo Wu, Yuan Qi
Abstract: Scientific discovery is increasingly shifting from isolated disciplines to multi-domain reasoning, and AI for science faces a similar transition. Existing systems are either specialised for individual domains or unify scientific data mainly through text tokenisation and prompt-based interfaces, limiting their ability to handle diverse scientific inputs, produce modality-native outputs, and support joint understanding, reasoning, and generation across scientific domains. We introduce MKB, a unified scientific multimodal model for both understanding and generation, built around a shared Transformer backbone and modality-tailored encoders, adapters, and decoders. MKB covers six scientific branches, including DNA, RNA, proteins, small molecules, earth science, and medical images, and supports native outputs such as biological sequences, molecular strings, meteorological fields, and segmentation masks. Training follows a two-stage modality-then-language curriculum: Stage 1 aligns modality-specific components with the frozen backbone, and Stage 2 consolidates them with the language backbone using mixed scientific and general corpora. Experiments show that MKB achieves competitive scientific understanding across biological and molecular benchmarks, produces high-fidelity native outputs for weather forecasting, biological generation, and medical-image segmentation, and largely retains the general capabilities of its Qwen3-VL backbone. These results demonstrate the feasibility of the proposed paradigm, suggesting that shared-backbone models with modality-tailored components can provide a promising foundation for future cross-domain scientific multimodal exploration. The model and code are publicly available at https://github.com/Shanghai-Academy-of-AI-For-Science/MKB and https://huggingface.co/sais-org/MKB.
URLs: https://github.com/Shanghai-Academy-of-AI-For-Science/MKB, https://huggingface.co/sais-org/MKB.
Authors: Emma Kondrup, Zachary Yang, Anne Imouza, Reihaneh Rabbany
Abstract: AI Assistants are increasingly deployed in high-stakes settings, such as healthcare or government services. Yet their real-world behavior remains poorly understood due to strong context dependence. Current evaluation protocols follow a defense-in-depth paradigm with compounding layers of safeguards, ranging from traditional benchmarks to live or adversarial testing. Such benchmarks remain largely static and single-turn, limiting their ability to capture real-world variability in conversational settings. We propose StabilityBench, a principled, general and model-agnostic benchmark operator that transforms single-turn benchmark queries into multi-turn interaction histories. StabilityBench augments existing benchmarks by injecting realistic user simulations, through demographic proxies or sycophantic baits, while preserving original task intent. We apply StabilityBench to four benchmarks spanning mathematical reasoning, health question-answering and safety, and evaluate nine large language models under these conditions. Our results show that model performance is consistently unstable under these injections, with considerable performance degradations on three out of four benchmarks studied. These highlight important limitations of static evaluations and motivate more realistic evaluation settings. To this end, we propose StabilityBench-Mini: a size-preserving variant of StabilityBench that samples across diversification axes, enabling more realistic evaluation without increasing costs.
Authors: Aditya Dutt, Paul Gader, Aditya Singh
Abstract: Monitoring poverty and food security indicators is imperative for addressing socioeconomic challenges in developing nations. A limitation is mismatches in scale between data sources: census data provide geographic coverage, while socioeconomic indicators are derived from infrequently conducted surveys at coarse resolutions, posing a methodological challenge. This study introduces a deep learning framework, JuGAAD, using Indian census and survey data from 2001 and 2011 as a case study. We employ a three-step process: census and geospatial data are averaged into intermediate village-cluster-scale tessellations to reduce noise and regularize administrative boundary changes; an autoencoder compresses high-dimensional National Sample Survey Office (NSSO) data into a low-dimensional latent representation; and a regression model maps upscaled census and geospatial data to this representation. This function is applied to fine-grained census data to generate high-resolution predictions, validated against ground-truth district-level NSSO indicators. Results confirm the methodology predicts socioeconomic indicators at fine scales with strong accuracy.
Authors: Muntaser Syed, Marius Silaghi, Sheikh Abujar, Sharun Akter
Abstract: Retrieval-Augmented Generation (RAG) systems retrieve and integrate external knowledge to ground large language model (LLM) outputs. However, current RAG architectures treat all retrieved facts as equally valid regardless of temporal provenance, leading to temporal hallucination, where plausible but obsolete facts corrupt the output. A clinical lab reading from yesterday is actionable; the same reading from six months ago is noise. We present Chronofy, a three-layer neuro-symbolic framework implementing the Temporal-Logical Decay Architecture (TLDA) that embeds temporal validity directly into the representation, retrieval, and reasoning layers of RAG systems. Layer 1 reserves a dedicated temporal subspace within Matryoshka embeddings to make fact age structurally irremovable from the representation. Layer 2 integrates learnable exponential decay functions into graph-based retrieval, where the decay coefficient $\beta_j$ is grounded in Bayesian decision theory as an approximation of twice the latent process mean-reversion rate. Layer 3 applies Signal Temporal Logic (STL) robustness functions to evaluate the temporal validity of retrieved knowledge, not LLM output confidence, and enforces the possibilistic weakest-link principle to bound output confidence by the most decayed evidence in the reasoning chain. We evaluate Chronofy on temporal knowledge graph forecasting benchmarks, the TimE temporal QA benchmark, and a domain-specific sensitivity analysis, demonstrating that explicit temporal decay modeling improves retrieval precision, reduces temporal hallucination, and enables principled data re-acquisition triggers when temporal context is insufficient.
Authors: Keumseo Ryum, Joonhyuk Kang
Abstract: LoRA adapters provide an efficient way to specialize a pretrained model for many downstream tasks, but deploying one adapter per task requires adapter storage and task selection at inference time. Model merging addresses this issue by combining independently trained adapters into one multi-task adapter. Recent SVD-based LoRA merging methods mainly focus on constructing shared or task specific directions, while the coefficients assigned to the final directions are often directly from the original task SVD. On a fixed merged basis, inherited coefficients preserve component order with high rank correlation, yet their magnitudes differ substantially from the coefficients induced by the task updates. To address this mismatch, we propose CT-Merging, a LoRA-aware merging algorithm that estimates consensus directions from average task subspace projectors and assigns task-level RMS coefficient scales in the final update. CT-Merging uses repeated support across task SVD subspaces to construct the common basis, while reducing reliance on rank wise SVD magnitudes after direction construction. On the DC-Merge CLIP adapter benchmark, CT-Merging achieves superior average normalized accuracy compared to state-of-the-art merging methods and further improves over DC-Merge by 2.56 points on ViT-B/32 and 1.51 points on ViT-L/14 KnoTS-trained checkpoints.
Authors: Mengda Xing (CRIL, UA), Jean-Marie Lagniez (CRIL, UA), Alejandro Franco (LRCS)
Abstract: Physics-based simulations are essential for understanding the electrode-scale discharge behavior of lithium-ion batteries (LIBs) but suffer from prohibitive computational costs. To address this, we introduce a novel deep learning surrogate pipeline based on the Swin3D Transformer to predict spatiotemporal discharge dynamics directly from volumetric data. Our approach integrates two key innovations: Gaussian Positional Encoding (GPE), which enhances spatial feature representation by adapting to the complex geometry of electrode microstructures, and a specialized Temporal Encoding module to capture non-linear timeseries evolution. Experimental validation on an Electrochemical Simulation (ES) dataset demonstrates that our pipeline significantly outperforms state-of-the-art point cloud baselines in prediction accuracy. Furthermore, the proposed method reduces the computational overhead by orders of magnitude, providing a scalable and efficient framework for high-throughput battery design and optimization.
Authors: Vu Khac Ky
Abstract: We study Gaussian-width complexity on statistical manifolds through a pair of functionals: the primal Fisher width $w_G(T) = w(G^{1/2}T)$, induced by the Fisher metric, and the inverse-Fisher width $w_{G^{-1}}(T) = w(G^{-1/2}T)$, induced by the inverse Fisher metric. The two widths play complementary statistical roles. On the learning side, the Fisher width measures the size of local parameter fluctuations in the geometry induced by the Fisher information. For Fisher-regular losses, we prove that the scale \(w_G(H_r)/\sqrt n\) is attained on sufficiently small Fisher balls. On the recovery side, the inverse-Fisher width captures the effect of anisotropic Gaussian measurements whose covariance is determined by the inverse Fisher information. For sparse recovery, the resulting geometry depends not only on sparsity but also on the position of the active coordinates in the Fisher spectrum. We obtain a two-sided estimate for the corresponding statistical dimension, together with support-sensitive recovery estimates and a natural ordering of supports with different curvature profiles. Finally, we establish a sharp relation between the primal and inverse-Fisher widths. On any common compact coordinate set $T$, they satisfy \[ w_G(T)w_{G^{-1}}(T)\geq w(T)^2. \] Thus, Fisher anisotropy may transfer complexity from one geometry to the other, but cannot reduce both widths relative to the Euclidean scale.
Authors: Frederik Hauke, Patrick Wienholt, Christiane Kuhl, Dyke Ferber, Jakob Nikolas Kather, Sven Nebelung, Daniel Truhn
Abstract: Machine learning models for medical image analysis typically lack a reliable measure of confidence, limiting their use in ambiguous or atypical cases. Here we show that Monte Carlo dropout, applied to a multi-task chest-radiograph classifier (eight thoracic findings, 137,593 training images), provides an epistemic uncertainty signal that tracks generalisation across training-set scales and flags confident yet error-prone predictions. Adding this signal to the point prediction raised error-detection AUROC from 0.74 to 0.77 ($\Delta$AUROC +0.023, 95% CI [+0.014, +0.033]). In a controlled 2x2 factorial experiment, a clinical-decision-support agent exploited this uncertainty only when it was delivered as a binary error-risk flag rather than as raw scores, cutting confident misdiagnoses on unreliable findings from 8.5% to 2.7%. Epistemic uncertainty estimation thus carries decision-relevant information beyond point predictions, but its value for downstream agents depends on how it is communicated.
Authors: Boldsaikhan Bolorkhuu, Tsogtgerel Gantumur
Abstract: We study vector-valued affine refinement operators of the form [ (W\gamma)(t)=\sum_{j\in\mathbb{Z}} A_j\gamma(Mt-j)+B(t), ] with finitely supported matrix mask and compactly supported continuous piecewise linear input and forcing data. Building on the homogeneous realization theorem for (B\equiv 0), we prove that, for (M\ge 3), every finite affine iterate (W^n\gamma) admits an exact fixed-width ReLU realization whose depth is (O(n)). The main new ingredient is a residual memory controller. It replaces the noninvertible residual dynamics by an injective skew-product and permits exact backward replay of the residual states required by a Horner-type evaluation of the affine forcing sum. Offset frames align the forcing atoms away from residual seams, allowing complementary loop readouts to recover their values exactly. The remaining branch-selection ambiguity occurs only where the accumulated affine state has already vanished. For (M\ge 3), the result applies to arbitrary compactly supported continuous piecewise linear forcing terms. For (M=2), the same construction applies to ordinary-frame seam-separated forcing. We also prove a stage-dependent extension for forcing terms in a fixed finite-dimensional continuous piecewise linear span and record the resulting linear-depth upgrade for open-curve, finite-state, and Hilbert- and Morton-type recursive constructions.
Authors: Arunan J
Abstract: Neural network misclassifications exhibit characteristic spectral instability in internal activations that is invisible at the output layer. This phenomenon is identified and formalized as Spectral Drift -- the frequency-domain distance between consecutive layer activations -- with empirical validation showing that failures exhibit significantly higher drift than correct predictions (1.9% increase, p<0.001). This spectral signature emerges during internal processing but becomes masked in final outputs, explaining why confidence-based detection methods struggle. This work introduces Self-Detecting Neural Networks (SDNN), a framework that monitors spectral dynamics across network depth using Short-Time Fourier Transform, wavelet decomposition, and statistical moments to capture multi-scale spectral features. A lightweight detector network (5% parameter overhead) learns to identify failure-indicative patterns via curriculum learning on progressively challenging distributions: natural misclassifications, distribution shifts, and adversarial perturbations. Experiments on CIFAR-10 demonstrate that SDNN achieves 79.0 +/- 25.3% AUROC across three seeds, substantially outperforming confidence-based baselines including MaxSoftmax (50.5%) and Energy Score (52.9%) by approximately 25-30 percentage points. Ablation studies reveal that wavelet decomposition and statistical features make consistent contributions, while STFT's role remains unclear. This work establishes spectral analysis of internal activations as a promising direction for neural network reliability, revealing diagnostic information inaccessible to output-based approaches.
Authors: Jan Linnenbrink, Jakub Nowosad, Marvin Ludwig, Anna Frederike Jablotschkin, Fabian Schumacher, Teja Kattenborn, Hanna Meyer
Abstract: Spatio-temporal machine-learning modelling is an important tool in environmental research. However, machine-learning models are highly sensitive to both the characteristics of the training data, such as its distribution, and methodological choices, including the cross-validation strategy. Each decision has impact and implications on the model itself as well as the estimation of the model quality and applicability for certain purposes. Taking into account the large role of machine-learning based maps of the environment in science and their transfer into practice, transparent reporting of spatio-temporal models, ideally using standardized model protocols, is essential to enable trust, transparency and comparability. However, such protocols are currently lacking for spatio-temporal modelling. We propose STeMP (Spatio-Temporal Modelling Protocol) to fill this gap by serving two purposes: standardized reporting to understand the model functioning as well as providing guidance during the modelling process by pointing at critical decisions and parameters. The protocol is structured in three sections: Overview, Model and Prediction. The Overview section contains metadata, while the Model and Prediction sections go into detail, describing predictors, evaluation and software, and further relevant elements of the modelling workflow. The protocol definition is hosted on GitHub and accompanied by an R-package (https://github.com/LOEK-RS/STeMP). The R-package contains a web application that can be used to fill the protocol either manually or in a semi-automated way from provided modelling objects. Warnings are returned from the protocol when common pitfalls are encountered, which may help authors as a guide through the modelling process but also support reviewers in the assessment of modelling studies. Via GitHub, incorporation of contributions and feedback from the community is encouraged.
Authors: Tong Zhang, Junhao Hu, Yun Peng, Tao Xie
Abstract: When does a weight-tied looped transformer -- one block applied T times -- implement an actual algorithm? We answer with four findings from controlled populations on group word problems. (1) The budget law: free training installs a linear computation frontier, a mechanism that solves v positions per loop, whose speed is priced by the training contract: v ~ n_train/T_train (exponent 0.98 +/- 0.04, R^2=0.99), exactly unity under T=n training. SGD selects a frontier matching the minimum the contract demands; granting more test-time loops than ever trained rescues late positions at fixed input length, yielding a principled halting rule T* = ceil(n / v-hat). (2) Architecture prior, not expressivity, picks the algorithm: standard-depth transformers learn parallel scans on this family; weight tying flips the selection to the serial frontier, even when positional addressing for a log-depth scan is supplied. At matched depth and parameters, untied models extrapolate worst and fail to learn A5 at all. (3) The walls are not where circuit complexity says: NC1-completeness costs nothing (A5 generalizes fully), while group order does (S5's 120x120 operator deadlocks joint learning) -- and an operator-first curriculum dissolves the wall in every seed. (4) Mechanisms are portable, not mandatable: warm-starting across budget contracts transfers the algorithm in every seed, re-pricing its speed, while imposing seriality through the input schedule fails where free training succeeds. These results are invisible to standard instruments, which provably saturate at the fixed points trained loops converge to. We introduce a head instrument, the convergence-time scaling tau(n,i), validate it causally via damage cones whose slope reproduces v, and show in-distribution head measurements predict out-of-distribution fate where tail metrics do not. Results replicate on the public easy-to-hard benchmark.
Authors: Seonglae Cho, Zekun Wu, Kleyton Da Costa, Rishi Kalra, Ilham Wicaksono, Adriano Koshiyama
Abstract: Sparse autoencoder (SAE) features are used to interpret and steer large language models, yet whether a feature's causal role is stable across SAE families remains untested. Single-token features that activate on one vocabulary item provide the diagnostic case where ground truth permits direct comparison. We analyze 3.9M features across six models and three SAE families using zero-ablation at full layer depth. Single-token features cluster 4.7x tighter in decoder space and concentrate in early layers (Layer 0 in GPT2-Small; L0-L4 in Gemma). Ablating them yields Benjamini-Hochberg-significant logit reductions in 178 of 208 full-layer conditions, with depth controlling whether damage cascades downstream or shapes the output directly. Cross-family causal differences exceed within-family scale effects: on the same base model, GemmaScope and BatchTopK features remain causally anchored, while LlamaScope features are locally redundant. The target token's rank recovers to within 2x baseline 96-98% of the time after the same ablation, and a controlled activation-function comparison reverses sign within the same model, leaving training recipe as the residual candidate. Cross-family interpretability claims are therefore sensitive to training methodology, not just activation function or scale.
Authors: Afsaneh Mahanipour, Hana Khamfroush
Abstract: Federated learning (FL) enables multiple clinical institutions to collaboratively train a shared disease classifier without centralizing patient data. In practice, however, each institution annotates only the pathologies within its area of expertise, so the federation operates under task heterogeneity: each client holds labels for a strict subset of the target disease categories while the remaining classes are entirely unobserved at that site. Existing gradient-based FL methods fail under this setting because they require hundreds of communication rounds to converge and because missing class labels introduce systematic false-negative bias that the model cannot correct without a principled mechanism. We propose an analytic federated learning framework for multi-label medical image classification under task heterogeneity. The proposed method replaces iterative gradient optimization with three closed-form operations: a balanced label projection that neutralizes class-imbalance bias by normalizing positive and negative contributions to equal total mass; a per-class absolute aggregation law that independently assembles the optimal ridge-regression classifier for each disease category from the sufficient statistics uploaded by its annotating clients; and an optional analytic pseudo-label refinement round that propagates missing-class knowledge from a confidence-filtered teacher classifier to non-annotating clients. The entire procedure requires at most two communication rounds, irrespective of the degree of task heterogeneity or the number of participating clients. Experiments on ChestXray14 under four progressively severe missing-class configurations demonstrate that the proposed method consistently outperforms the state-of-the-art federated multi-label method FedMLP by up to 18.44 BACC points and 13.24 AUC points, while reducing the communication.
Authors: Andrew Mack, Kraig Yuheng Tou, Mark Henry, Zhengxun Wu, Lauren Greenspan
Abstract: Language models are thought to exhibit the phenomenon of superposition, representing many more features than dimensions in their residual streams. Sparse autoencoders (SAEs) are designed to recover such features post-hoc, but training models that are interpretable by construction has remained impractical, as a per-layer over-complete bottleneck is prohibitively expensive in both memory and compute. To overcome this issue, we introduce the ParityTransformer, a GPT-2-scale architecture whose intermediate representations are efficient and wide / sparse by design. At each layer, a Deep Parity Bottleneck (DPB) replaces a learned over-complete basis with a parameter-free algebraic dictionary, providing a deterministic incoherence guarantee and eliminating the memory requirements that have prevented per-layer interpretable bottlenecks at scale. A DPB is a hierarchically structured sparse bottleneck which efficiently enforces sparsity using a multi-level mixture-of-experts approach: a hardware-aware implementation that closes the cost gap between activation sparse and dense training to a manageable interpretability tax. Empirically, ParityTransformers perform at least as well as post-hoc SAEs on sparse probing tasks, while out-performing on measures of feature absorption, steering effectiveness, and fine-grained causal interventions. Because subsequent computation acts only on features that survive the sparse bottleneck, the ParityTransformer's features are native to the model's forwards pass by construction, addressing the question of whether SAEs probe features the model actually uses during computation. We see this as a step toward training models whose internal representations are interpretable by design rather than recovered post hoc.
Authors: Chenyu Zhang
Abstract: Lead ranking in Customer Relationship Management (CRM) systems faces a persistent challenge: models achieving high offline accuracy often underperform in production. We identify three fundamental gaps responsible for this disconnect: offline-online metric mismatch, pointwise-listwise objective misalignment, and temporal distribution drift. To address these gaps, we propose SalesLoop, a reinforcement learning framework that establishes a closed feedback loop between model predictions and real-world business outcomes. Our approach introduces (1) a performance-aware reward that encodes conversion outcomes weighted by ranking position and conversion velocity, and (2) Discriminative GRPO, a listwise optimization objective that adapts Group Relative Policy Optimization to discriminative ranking models. SalesLoop improves NDCG@K by +7.9\% and P@K by +15.8\% over the strongest static baseline. A 160-day production A/B test at a New Energy Vehicle manufacturer, spanning 16.5M leads and 280 sales specialists across two provincial markets, validates statistically significant cumulative lift of +4.7\% ($p=0.047$) and +8.7\% ($p=0.002$). In production, the ranking backbone achieves Top-10\% recall of 44.1\% and surfaces high-intent leads at $2.3\times$ the conversion rate of specialist baselines.
Authors: Manoosh Samiei, Doina Precup, Paul Masset
Abstract: Effective decision-making in complex and changing environments requires balancing short-term and long-term consequences. In reinforcement learning (RL), this trade-off is typically controlled through a fixed discount factor, which imposes a single exponentially discounted temporal horizon. However, biological agents exhibit flexible and adaptive temporal discounting, suggesting that effective planning requires multiple timescales. Here, we propose a multi-horizon approach that adaptively selects and combines temporal horizons, enabling robust adaptation to changes in reward structure without manual discount-factor tuning. This flexibility makes the method particularly suitable for continual learning scenarios involving task switches and varying environmental configurations. Empirically, we demonstrate that our approach identifies effective discount factors across a range of MiniGrid environments, including continual settings composed of three sequentially changing tasks. These results suggest that adaptive temporal discounting can improve parameter efficiency and enhance adaptability in both artificial and biologically inspired learning systems.
Authors: Xingjian Li, Kelvin Kan, Deepanshu Verma, Krishna Kumar, Stanley Osher, Samy Wu Fung
Abstract: We consider the problem of learning high-dimensional semi-global feedback controllers under hard safety constraints enforced by control barrier functions (CBFs). Incorporating CBFs into end-to-end policy training requires embedding a quadratic-program-based safety filter as an optimization layer, but computational and differentiation bottlenecks have largely restricted prior approaches to low-dimensional systems, typically with at most 16 state dimensions. We address this limitation by combining operator splitting with the recently developed Jacobian-Free Backpropagation (JFB) method to enable scalable end-to-end training while preserving hard safety guarantees through the CBF safety filter. We justify this training methodology theoretically using nonsmooth analysis techniques and demonstrate its effectiveness on high-dimensional multi-agent nonlinear control problems with state and control dimensions up to 1200 and 400, respectively.
Authors: Omran Ayoub, Carlos Natalino, Ali Al Housseini, Felix Foschum, Philipp Morger, Tiziano Leidi, David Hock, Paolo Monti
Abstract: Machine learning (ML) models are increasingly integrated into optical network automation frameworks to support tasks such as failure management, performance monitoring and resource allocation. In these environments, ML-driven predictions may be directly coupled with control-plane actions where incorrect decisions can immediately impact service quality, resource efficiency, and network stability. As automation levels increase, ensuring the reliability of individual decisions at deployment time becomes a critical requirement. Explainable artificial intelligence (XAI) techniques have emerged to improve transparency by highlighting the factors influencing ML predictions. In addition to identifying influential features, they provide insights into the underlying reasoning process of the model, revealing how different input variables contribute to the final outcome and how feature interactions shape the decision boundary. In this work, we introduce explanation-based runtime verification, an approach that exploits model explanations to assess the soundness of individual ML decisions before they are executed in the network control loop. The proposed approach evaluates explanation coherence and physics grounding consistency at runtime, enabling the system to defer or reject decisions flagged as uncertain. We demonstrate the effectiveness of our approach on a representative use case of lightpath quality of transmission classification. Experimental results show that explanation-based verification can intercept a significant fraction of erroneous decisions while preserving high automation rate.
Authors: Salavat Ishbulatov
Abstract: Personal and organizational planning systems maintain two records that drift apart: what was planned (a task's effort budget) and what was done (a logged action's duration and description). Existing systems bridge them with an exclusive, all-or-nothing link that strands genuinely related but unlinked effort and reports false stalls on active goals. We formulate the bridge as a quasi-linear Fisher market: planned tasks are budget-constrained buyers, performed actions are divisible goods, and a fused text/structural/temporal signal sets each buyer's valuation. Two market instruments - a seller reserve price and a buyer cash option - yield conservation, a hard budget cap, and a provable junk filter as theorems. We extend the market with a concave completion utility discounting progress as a task nears its plan; standard convergence theory for the market's algorithm does not transfer here, resolved by a satiation-threshold fixed point with existence (Brouwer) and local uniqueness under an explicit diagonal-dominance condition, validated empirically on random and adversarial instances. A de-circularized, multi-seed benchmark - observed affinity corrupted independently of the scored ground truth - surfaces a genuine weak spot: the market's sharp, zero-entropy equilibrium is more sensitive to affinity noise than entropy-regularized optimal transport's permanently smoothed one. We resolve this with a one-parameter entropy-regularized generalization unifying the two, plus a noise-adaptive rule for its regularization strength. We report full reproducibility parameters, discuss limitations candidly, and relate the result to multi-touch attribution, optimal transport, and online Fisher-market algorithms.
Authors: Mohammad Fesanghary
Abstract: We propose CEDAR (Causal Edge Discovery for Autoregressive Processes), a constraint-based method for lagged causal edge discovery in sparse autoregressive time series. CEDAR screens candidate cross-variable lags using AR(1)-residualized, U-centered distance correlation, then applies two targeted conditional-independence tests per significant cross-variable lag candidate and accepts at most one lag per ordered pair. A stable MCI pruning step removes indirect edges, and optional deterministic C-nodes adjust for specified trend-like nonstationarity. In sparse regimes where few lags survive screening, CEDAR requires $O(d^2)$ CI tests after screening while retaining edge-level interpretability. CEDAR is most effective when data are scarce and variables exhibit lag-1 self-dynamics; methods with richer conditioning sets become preferable as $T$ grows or when higher-order autoregressive or simultaneous multi-lag effects are common.
Authors: Hongju Pae
Abstract: A recent line of work measures causal emergence in reinforcement learning agents through Integrated Information Decomposition, reporting that $\Phi_r$ grows with training and tracks reward improvement. For active inference, this raises the question of how reward-free predictive organization relates to such information-theoretic signatures. I test this within an active inference agent whose architecture separates a fast perception latent $z$ from a slow global latent $g$, where $g$ is driven by prediction error and structurally decoupled from policy gradients. In a reward-free environmental regime-switching protocol, $\Phi_r$ concentrates in $g$; its aggregate magnitude is largely architectural and decreases with training. The substantive effect of learning becomes legible only at the atom-compositional level: decoupling flips sign from negative to positive and becomes regime-invariant under environmental change, while downward causation carries the regime-dependent adjustment. These results identify $g$ as the architectural locus of $\Phi_r$-relevant temporal organization in an active inference agent, and argue against reading scalar $\Phi_r$ as a direct index of learned integration.
Authors: Jihoon Tack, Philippe Laban, Jennifer Neville
Abstract: As LLMs become more capable, they are increasingly deployed as collaborative agents, taking on user-delegated tasks through iterative interaction. Yet genuine interaction is inherently dynamic: users rarely specify their intent upfront, instead disclosing, revising, and reshaping it as the conversation unfolds. Despite this, LLMs are still predominantly evaluated or trained in single-turn, fully-specified settings, leaving open a fundamental question: how well do LLMs track and act on user intent as it evolves over the course of a conversation? To study this, we introduce a framework that transforms static, single-turn tasks into dynamic multi-turn conversations in which the user's intent evolves across turns--incrementally revealed, revised, and at times redirected mid-conversation--while preserving each task's original evaluation protocol, enabling existing benchmarks to be reused as controlled testbeds without new annotation. Across multiple tasks, we surface a consistent phenomenon: strong static-setting performance does not transfer to the evolving-intent setting, with substantial drops across model families. Our findings point to a fundamental gap: today's LLMs do not yet faithfully track and act on the user's evolving intent, a capability invisible to static evaluation yet critical for future collaborative agents.
Authors: Parul Maheshwari, Amulya Paruchuri, Yiqing Zou, Alireza Sahami Shirazi, Farhad Farahani, Prakhar Mehrotra
Abstract: Graph Neural Networks trained on heterogenous bipartite graphs form a common basis in recommendation systems. These graphs often express relations that vary in cardinality, for example, user-item preferences are one-to-many and user-attribute features are one-to-one. Traditionally, a unique loss function is applied for all of the network components which is often Bayesian Personalized Ranking (BPR). While BPR works well for the recommendation task, we find that it causes attribute embeddings to collapse to near-random geometry -- a silent failure that leaves standard ranking metrics largely unaffected and therefore invisible to conventional evaluation. This in turn pollutes user node embeddings, which are shaped by both edge types simultaneously, hurting downstream tasks like personalization, segmentation, etc. Here we propose a Cardinality-Decomposed Loss (CDL) that combines both Cross Entropy (CE) and BPR to enable the model to collectively optimize for relations across cardinalities. We confirm this CE-BPR conflict by showing the two losses compete in the shared encoder's parameter space. We evaluate CDL on five datasets spanning two structural configurations -- one-to-one attributes on user nodes (MovieLens-1M, Last.fm-360K, PayPal Audience Factory, BookCrossing) and on item nodes (Yelp) -- and find that CDL consistently improves discriminability in attribute embeddings. We also show that ranking (NDCG) improves when attributes carry meaningful preference signal, but conflicts with it when the correlation is weak. We use a lambda parameter to navigate this trade-off, and a lambda-sweep reveals that dataset behavior is governed by two graph properties -- semantic alignment and topology leakage. Semantic alignment measures whether the attribute predicts preferences, while topology leakage measures whether the graph's connectivity already encodes it.
Authors: Mohammad Raahemi, Ali Sekhavati, Alireza Maleki, Hamid Nasiri
Abstract: Multimodal learning is a robust approach to improve predictive performance in applications such as medical prognosis. However, the clinical applicability of models that use multimodal learning is hampered by their poor performance under noisy or uninformative data streams. Present fusion approaches often lack robust mechanisms for the dynamic assessment of data quality and for the provision of a trustable confidence score on the final prediction. This dissuades their deployment in safety-critical settings. To address these limitations, we introduce Adaptive Confidence-weighted Expansion (ACE), a novel framework to enhance the trustworthiness of multimodal fusion models. ACE first enhances the multimodal space by generating new, complementary modalities from intra-modality correlations. It then employs a dual-level confidence mechanism that (1) adaptively reweighs all modalities by their reliability before fusion and (2) estimates a global trust score over the fused, final decision. To evaluate ACE, we used four challenging multi-omics datasets (BRCA, KIPAN, LGG, and ROSMAP). ACE significantly outperforms existing state-of-the-art algorithms in both classification performance and confidence calibration. Our framework provides a more stable and robust data fusion method that facilitates the use of multimodal learning in addressing high-stakes problems.
Authors: Miguel P. Bento, Jo\~ao Seabra
Abstract: Transformers are known to have internal continuous symmetries that leave outputs invariant, while modifying quantization. GaugeQuant leverages this in-training by introducing a LogSumExp term to the loss that breaks the symmetries, thus selecting a basis that minimizes activation outliers. A stop-gradient operator ensures that only rotation matrices are updated, yielding the language modeling objective completely unaltered. Our requires no specific calibration data, no quantization simulation, and adds negligible training overhead. With the LLaMA-2 7B model under W4A4 quantization with group size 128, perplexity drops from 8.22 to 6.73, competing with post-training methods that require frozen models and calibration datasets. Under W4A16, perplexity drops from 11.16 to 5.45. Code is available at https://github.com/MPedraBento/gauge-quant.
Authors: Shijie Pan, Agustin Castellano, Zeyu Shen, Enrique Mallada
Abstract: Learning-enabled decision systems often use offline data or computation to reduce online compute cost. Despite the empirical success of such approaches, there is limited general understanding of how much offline information is needed to achieve a desired accuracy under a fixed online computation budget. We study this question through the lens of amortized parametric optimization: an offline phase stores a finite memory of solved problem instances, and an online phase produces a solution to a new instance by retrieving a warm start and applying $K$ steps of projected gradient descent. We analyze this setup for smooth convex parametric optimization over a compact domain, using a nonparametric predictor built from the stored offline solutions. For $\mu$-strongly convex objectives, we establish matching upper and lower bounds on the memory required to guarantee $\varepsilon$-accuracy under a fixed online iteration budget $K$. For convex objectives satisfying a $\beta$-growth condition ($\beta>2$), we obtain near-matching bounds and identify a phase transition in $K$ beyond which additional memory provides no benefit. We further provide a general proof framework that (i) explicitly quantifies the memory cost of acceleration---how much offline memory is required to achieve a prescribed speedup over the unaided online optimizer---and (ii) identifies two key quantities driving this cost: the convergence rate of the online optimizer and the Lipschitz sensitivity of the solution map to the problem parameter. Experiments on parameterized ridge regression confirm the predicted memory--computation--accuracy tradeoffs.
Authors: Jason Y. Hu, Ivan Higuera-Mendieta, Patrick Obin Sturm, Makoto M. Kelp
Abstract: Weather forecasting foundation models (FMs) are increasingly fine-tuned to predict air quality, offering fast global pollution forecasts at lower computational cost than conventional chemical transport models. These FMs are typically trained on reanalysis data and generate forecasts through autoregressive rollout. They do not explicitly represent governing physical or chemical processes. Therefore, high forecast skill does not reveal whether a model has learned physical mechanisms or exploits statistical regularities in its training data. Here, we present the first study of what a FM fine-tuned for atmospheric chemistry has learned by examining Microsoft's Aurora model. We impose controlled chemical perturbations on its forecasts and test them against known photochemical relationships. We then examine the internal representations that generate these forecasts. We find that Aurora captures a first-order ozone response to reactive nitrogen but does not enforce the chemical constraints that a process-based model encodes. It generates chemically inconsistent combinations of related species and relaxes localized emission features such as wildfire plumes toward background. Internally, its representations remain largely organized around the meteorology inherited during pretraining, with little structure specific to chemistry. Using sparse autoencoders, we identify internal components that causally control the chemical forecast but do not map cleanly onto individual atmospheric processes. This work provides a framework for testing whether AI forecasting systems learn atmospheric chemistry from reanalysis data. As these models are increasingly positioned to inform environmental policy decisions, we argue that composition forecasts should also be judged by their internal mechanisms rather than by benchmark skill alone.
Authors: Ahmad B. Hassanat, Ahmad S. Tarawneh, Ghada A. Altarawneh
Abstract: For two decades, the standard remedy for class-imbalanced learning has been to fabricate synthetic minority examples, and the standard evidence of their validity has been a check that cannot fail: synthetic points are scored against the very data that generated them. We de-bias the check. Validity becomes a population quantity -- the probability that a synthetic point truly belongs to the minority class -- with a consistent estimator that scores synthetic points against withheld real data. Where held-out ground truth is available, the classical test underestimates true invalidity in 96-99% of method-by-imbalance-ratio cells, while the de-biased estimator tracks it closely. We prove validity is a property of the data, not the method: class overlap sets an invalidity floor no faithful generator escapes, making oversampling redundant where classes separate and invalid where they overlap. Across 91 methods, three classifiers, and datasets spanning medicine and finance -- including a generator engineered to pass the classical check -- none clears both bars: gains over the best trivial baseline are noise-thin (median below 0.01 F1, a decision threshold's reach), and most damage calibration. We release the audit as a pip-installable test and flip the burden of proof: synthetic minority data must now demonstrate, on the data at hand, both validity and information gain.
Authors: Jaber Jaber, Osama Jaber
Abstract: Memoir combines per-sample fast memory, shared slow parameters, variable-depth latent recurrence, and a future-latent energy objective. We test its riskiest coupling: each pondering iteration may rewrite the fast tier that the same iteration reads. On procedural associative recall with key interference, we compare a coupled arm against an otherwise identical read-only pondering arm. Both arms contain 81,738 parameters, including 76,362 trainable parameters, and use matched declared forward multiply-accumulate counts, data, optimizer, schedule, and seeds. After 240 training steps across 12 seeds, coupled recall is 0.5203 with a 95 percent interval of [0.4522, 0.5883], while read-only recall is 0.6557 with [0.5953, 0.7160]. The arms are paired per seed, and the read-only lead of 0.1354 gives a paired t of 3.23 on 11 degrees of freedom with a 95 percent interval of [0.0431, 0.2277] on the difference, winning on 10 of 12 seeds. After 960 steps across 8 seeds, both arms reach 1.0000, so the measured effect is a learning-speed penalty at a fixed budget, not a demonstrated capability penalty. That longer control is ceiling limited, leaving convergence on a non-saturating task unmeasured. A predicted failure in which memory rewriting corrupts the energy signal did not occur: the energy margin grew and held. Kernel restructuring also reduced delta-rule forward time from 0.907 ms to 0.351 ms on the stated device. Code and evidence are available at https://github.com/RightNow-AI/Memoir
Authors: Andreas Tiffeau-Mayer
Abstract: Scalar metrics are often used to evaluate clusterings against known classes, but they can obscure a fundamental trade-off: clusterings should be informative about class labels while avoiding unnecessary fragmentation. Here we describe normalized scores of cluster homogeneity and parsimony that quantify this trade-off. These scores build on the information bottleneck principle, modified to not reward lossy compression. We show by example and mathematical proof that our definitions of these scores have the intuitive property of varying monotonically under cluster refinement in contrast to related proposals. Extending the information-theoretic framework beyond Shannon entropies, we furthermore derive set-matching and pair-based counterparts of the homogeneity and parsimony scores. These unify commonly used evaluation criteria and show that, in the pair-based setting, the homogeneity-parsimony trade-off recovers the receiver operating characteristic of binary classifiers. We demonstrate the framework's utility for feature selection and algorithm comparison, illustrating how considering scores jointly can clarify clustering operating points and identify Pareto-optimal solutions.
Authors: Cornelius Brand, Robert Ganian, Mathis Rocton
Abstract: In spite of the fundamental role of neural networks in contemporary machine learning research, our understanding of the computational complexity of optimally training neural networks remains incomplete even when dealing with the simplest kinds of activation functions. Indeed, while there has been a number of very recent results that establish ever-tighter lower bounds for the problem under linear and ReLU activation functions, less progress has been made towards the identification of novel polynomial-time tractable network architectures. In this article we obtain novel algorithmic upper bounds for training linear- and ReLU-activated neural networks to optimality which push the boundaries of tractability for these problems beyond the previous state of the art. In particular, for ReLU networks we establish the polynomial-time tractability of all architectures where hidden neurons have an out-degree of $1$, improving upon the previous algorithm of Arora, Basu, Mianjy and Mukherjee. On the other hand, for networks with linear activation functions we identify the first non-trivial polynomial-time solvable class of networks by obtaining an algorithm that can optimally train network architectures satisfying a novel data throughput condition.
Authors: Sreejeet Maity, Aritra Mitra
Abstract: Motivated by reinforcement learning in harsh environments, we consider the problem of learning an optimal policy subject to adversarially corrupted feedback. Specifically, at each time-step, an adversary can perturb both the reward and state observations of the learner following the Huber contamination model. To defend against such data corruption, we propose {{\texttt{BR-Async-Q}}}: a novel, epoch-based, robust \(Q\)-learning algorithm built upon two key ideas: (i) partitioning the online data stream into batches to reduce variance, and (ii) constructing robust estimates of the Bellman optimality operator using such batched data. We prove a high-probability $\ell_\infty$ error bound for {{\texttt{BR-Async-Q}}} that matches that for vanilla \(Q\)-learning, up to a small additive term that scales with the fraction of corrupted samples. To our knowledge, this provides the first robustness guarantee for asynchronous \(Q\)-learning subject to both reward and state corruption. Furthermore, when only rewards are corrupted, the dependence of our algorithm's bound on the corruption fraction is minimax optimal.
Authors: Shoya Otsu, Kei Suzuki, Toshiaki Koike-Akino, Jing Liu, Ye Wang
Abstract: Advanced Persistent Threats (APTs) remain difficult to detect because only a small fraction of events in large-scale logs are attack-related, and investigation is expensive and hard to scale. Prior machine-learning approaches can reduce analyst workload, but they often rely on heavily curated training data and sophisticated preprocessing pipelines. Building and maintaining such pipelines require substantial domain expertise and engineering cost. Motivated by insights from a study of a strong APT detection baseline, we propose CAPTAIN (Context-Augmented Perplexity-based Threat Activity log detectIoN), a perplexity-based detector that leverages general, pre-trained language models with minimal, domain-agnostic preprocessing, enabling robust scoring of long, minimally processed log entries. CAPTAIN encodes recent history with an encoder model and a Q-Former-style bridge, then injects the compact context tokens into the decoder input so that perplexity reflects temporal context. To improve stability, CAPTAIN additionally applies smoothing filters to the perplexity time series. Across APT-oriented benchmarks, CAPTAIN competes with strong existing baselines and remains robust under substantially less curated inputs, that reduces the development and operational cost of advanced log preprocessing.
Authors: Ahad Jawaid
Abstract: Offline goal-conditioned reinforcement learning (RL) holds the promise of learning general-purpose policies from static datasets. However, scaling these methods to long-horizon tasks remains a challenge due to the curse of horizon, where value estimation errors can compound through long chains of bootstrapped Bellman backups. Existing hierarchical approaches mitigate this by decomposing tasks into subgoals, yet they often rely on low-level controllers that suffer from myopic execution and biased value estimates. In this work, we propose Hierarchical Implicit Q-Chunking (HiQC), an offline goal-conditioned RL algorithm that combines high-level latent planning with low-level action chunking. By conditioning the low-level critic on temporally extended action sequences, HiQC enables unbiased k-step value backups, compressing the horizon at both the planning and execution levels. We theoretically demonstrate that this dual decomposition results in a tighter bound on value error under a bounded per-backup error model compared to standard hierarchy or flat chunking alone. Empirically, HiQC achieves the highest aggregate performance among the compared methods on the OGBench suite, with its largest gains on long-horizon navigation tasks such as humanoid-giant.
Authors: Amirhossein Nouranizadeh, Sarang Rajendra Patil, Alan John Varghese, Varsha Narayanan, Amit Chakraborty, Mengjia Xu
Abstract: Scientific machine learning methods such as neural operators and physics-informed neural networks have advanced engineering applications and inverse problems, but their training typically requires large volumes of simulated data. This makes data preparation and model training expensive. We propose Graph Wavelet Compressed Sensing (GWCS), a learning-based framework for offline compression of graph signals by representing them as sparse, interpretable wavelet-domain representations using the spectral graph wavelet transform. The framework combines a nonparametric multilevel importance sampler, which retains high-energy wavelet coefficients within each scale for a given compression ratio, with a scale-aware graph neural network that reconstructs the signal from the sparse coefficients. We evaluate the proposed framework on synthetic approximately band-limited graph signals over random graphs and four PDE simulation datasets over meshes, which include Turbulent Radiative Layer, Viscoelastic Instability, Kolmogorov Flow, and Dynamic Stall. We compare against graph signal sampling methods and graph autoencoder baselines. Results demonstrate that the framework achieves high reconstruction fidelity and substantial data compression compared to existing benchmarks.
Authors: Hiroki Tamba
Abstract: Position bias in multiple-choice LLM evaluation is widely cited as a confound in capability comparisons, but published measurements rely on single answer-order shuffles whose results confound the bias signal with content-level noise and sampling stochasticity. I introduce inspect_permute, an open-source extension to the inspect_ai evaluation framework that runs exhaustive answer-order permutations per question and reports the chi-squared / Cramer V signature of position bias with bootstrap confidence intervals. I apply the tool across four vendors (gpt-4o-mini, claude-haiku-4-5, gemini-2.5-flash, grok-3) on five MMLU subjects, 24,000 API calls under temperature-0 generation, with falsifier predictions pre-registered via a public SHA-256 hash before half the data was observed. Position bias turns out to be statistically detectable only within a roughly 60-95% base-accuracy Goldilocks zone. Below it, processing-load dominance swamps subject-specific signal; above it, ceiling effects compress the variance below the chi-squared test resolution. Detectable cells separate into two mechanism types: monotone A-to-D decrease (processing_load, in low-tier models) and non-monotone D-drop (content_ambiguity, in a narrow capability band). Standard MMLU places every frontier-tier model above the detection band, so absence of signal there should be read as not measurable, not unbiased. Together with the ceiling-effect characterisation in arXiv:2606.26185, this work brackets the detectable region of position-bias measurement and makes the field central question askable in a verifiable form. Package, data, preregistration under MIT.
Authors: Ting Gong, Shitan Xu
Abstract: Model merging combines independently trained or fine-tuned models, but pairwise alignability does not imply globally consistent alignment. We formulate merging as a finite descent problem in which checkpoints are local objects, alignment maps are transitions, and cycle products are residuals. TwistedMerge is a conservative certification pipeline that separates fixed-chart averaging, synchronization-removable gauge inconsistency, a certified central obstruction on a specified comparison complex, and nonabelian holonomy. A residual is promoted to a cohomology class only after inverse-consistency, coefficient-identification, centrality, and closure tests; otherwise the method abstains and returns an ordinary or synchronized fallback. We prove a constant-edge no-go result, frozen-complex three-way and predeclared-family error-control theorems, and a refinement test for comparison-complex sensitivity. A planted neural alignment defect is removed by cycle-consistent synchronization, showing that a nonzero cycle score alone is not a higher obstruction. Controlled central systems recover the predicted non-coboundary and projective-rank behavior, while noisy estimates move from certification to abstention without false lifts on the tested controls. A trained low-rank-adapter audit shows that naive factor averaging depends on the chosen GLr representative, whereas global factor synchronization and dense-delta SVD are stable. On natural checkpoint collections, cycle residuals do not predict merge degradation and no natural central or period-index class is certified. The results position descent theory as a falsifiable certification and abstention framework.
Authors: Hyeong-Gun Joo, Songnam Hong, Dong-Joon Shin
Abstract: On-device federated learning (FL) enables privacy-preserving and personalized model training on resource-constrained devices such as smartphones and IoT nodes. To reduce communication cost, sign-based methods (e.g., signSGD) transmit one-bit gradients. However, exposing gradient signs makes them vulnerable to inference attacks, while existing secure aggregation schemes are often incompatible with such methods or incur significant computational and communication overhead. We propose a lightweight and information-theoretically secure aggregation framework tailored for sign-based FL. The framework securely computes the majority vote (MV) polynomial through single-round secure multiplication, ensuring end-to-end information-theoretic security under the honest-majority assumption while revealing only the final aggregated sign to the server. To enhance efficiency and scalability, we introduce two key techniques. First, inverse-form exponent reduction halves the effective MV polynomial degree, reducing both communication and computation costs. Second, we propose single-round secure multiplication, achieving linear offline complexity and storage with only a single online communication. Together, these techniques reduce online communication by up to 99.5% and latency by up to 85.7% compared to conventional approaches. Also, by leveraging inherent MDS-code-based decoding, the framework achieves robustness against both dropouts and adversarial behaviors, yielding accuracy gains of up to 20.65% and 10.74%, respectively. Overall, the proposed framework establishes a practical foundation for large-scale, low-latency, and information-theoretically secure aggregation in sign-based FL.
Authors: Kritanu Chattopadhyay, Soumya Chatterjee, Ondrej Krejcar, Debotosh Bhattacharjee
Abstract: Spatial transcriptomics assays remain costly and technically demanding, restricting transcriptome-wide profiling to specialist settings and preventing routine clinical deployment. Predicting spatially resolved gene expression from H&E histology could close this gap, yet current methods largely ignore the underlying tissue architecture and rarely quantify how their predictions can be trusted. We introduce HierarchicalDAEW, a dual-graph architecture that addresses both gaps. On the spot graph, a Domain-Aware Edge-Weighted convolutional operator learns separate projections for inter-domain, intra-domain, and boundary edges derived from Leiden clustering, allowing the model to treat tissue heterogeneity as an explicit structural signal rather than an implicit one. A second gene-level graph then fuses protein-protein interaction priors from STRING-DB with tissue-specific co-expression through learned attention gating, propagating predictions from a landmark gene set to a broader gene panel. Reliability is handled through evidential uncertainty estimation, which produces far better calibrated confidence intervals than Monte Carlo dropout under identical conditions. Across six human Visium sections spanning breast, colorectal, prostate, and cerebellar tissue, and against thirteen published baselines, HierarchicalDAEW achieves the strongest correlation with ground-truth expression, with gains that hold up under multi-seed reproducibility checks and negative controls that rule out positional shortcuts. Ablations further confirm that both the domain-aware edge typing and the hierarchical depth are necessary to this improvement, and calibrated uncertainty estimates identify low-confidence predictions for pathologist review before clinical action.
Authors: Quazi Ishtiaque Mahmud, Nesreen K. Ahmed, Ali Jannesari
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful technique to enhance the reasoning capacity of LLMs for optimized code generation. However, existing RLVR approaches primarily rely on outcome-based signals such as correctness and speedup, overlooking performance-critical structural properties of programs that are essential for generating optimized code. In this work, we propose CudaPerf, a reflective RL framework that incorporates both verifiable execution rewards and structural code-aware rewards derived from parallelization features (e.g., memory coalescing, occupancy, Arithmatic Intensity, and synchronization patterns). CudaPerf operates in two stages: (1) an offline pairwise ranking module that learns to distinguish strong and weak program candidates via contrastive comparisons, and (2) an online RL training phase that jointly optimizes for correctness, performance, and structural efficiency through a unified reward signal. To further enhance learning, CudaPerf utilizes iterative refinement using execution feedback enabling progressive improvement of generated candidates. We also introduce a dataset comprising 2.9k C to CUDA and 1k PyTorch to CUDA programs, each paired with diverse input configurations and multiple CUDA implementations encompassing diverse optimization strategies. CudaPerf is evaluated across multiple benchmarks comprising both C to CUDA and PyTorch to CUDA transformations. Empirical findings suggest that CudaPerf significantly outperforms strong baselines, including Qwen-3-32B (for C to CUDA) and CUDA Agent (for PyTorch to CUDA) by achieving up to 5X & 3.32X improvements in speedup, and 17% & 7% improvements in correctness, respectively.
Authors: Shiva Raj Pokhrel, Dipsan Bhattarai, Anwar Walid
Abstract: Federated parameter-efficient fine-tuning (PEFT) enables communication-efficient adaptation of large pretrained models on decentralized edge data, but it remains fragile under non-IID client heterogeneity. In low-rank adaptation (LoRA), different clients may learn locally useful but spectrally misaligned update subspaces, causing high-variance aggregation and poor global transfer. We propose TRISHUL, a spectral-control framework for robust federated PEFT. TRISHUL follows the FL no-raw-data-sharing setting but does not itself provide formal privacy guarantees. TRISHUL uses shared frozen multi-head low-rank bases to obtain algebraically exact aggregation of compact core updates, applies nuclear norm proximal shrinkage to suppress client-specific high-rank spectral components before upload, and allocates adaptation heads non-uniformly across layers using a concave water filling budget rule derived from pretrained layer capacity. Because shrinkage is performed only on small core matrices, TRISHUL adds negligible computation and no extra per-round communication over the underlying multi-head PEFT protocol. Across vision and language benchmarks, including CIFAR-100, SVHN, 20 Newsgroups, MRQA, and GLUE with LLaMA3.2-1B, TRISHUL improves convergence, stability, and final performance over federated LoRA baselines, with greater gains under stronger heterogeneity.
Authors: Cenwei Zhang, Teng Fang, Yuxia Wang, Derek Li, Bryan Dai, Lei You
Abstract: BoN improves model outputs by sampling several candidates and selecting one with a proxy score, but it assumes that complete candidates can be evaluated reliably. Many vision-language tasks instead provide only partial verification: a finding, span, value, region, or relation may be checkable even when no dependable whole-response verifier exists. Moreover, the same claim may recur across candidates with opposing stances, allowing one observation to support part of the pool and contradict another. We introduce Best-of-Evidence (BoE), an inference-time selection framework that keeps the BoN candidate pool fixed, represents reusable claims with a signed candidate--factor graph, and allocates a limited budget to evidence actions that can change the final choice. BoE formalizes selection under partial verification and provides a practical score-based controller, with the zero-budget case recovering the underlying BoN decision. Theoretically, we show that residual evidence capacity limits any evidence-driven improvement and that shared factor queries can achieve an O(log K) versus {\Theta}(K) query separation in a factor-code model. Common-ledger experiments on four medical VQA settings show that BoE can improve fixed-pool selection and rescue some BoN failures when evidence is reliable, contrastive, and decision-relevant, while also revealing the channel-quality and candidate-generation limits that prevent universal gains.
Authors: Ishan S. Kshirsagar
Abstract: Latent, or silent, reasoning lets language models carry out intermediate computation in continuous vector space instead of words, and is widely assumed to function as an internal scratchpad the model actively consults during inference. Whether that assumption survives reinforcement learning has not been tested directly: existing causal analyses of latent reasoning are confined to math and logic tasks, and compare a model's reliance on its thoughts within a single checkpoint, never before and after an RL stage. We train a chess-playing model through a staged latent-reasoning curriculum followed by reinforcement learning, and find legality climbs monotonically to 61% (from a 48% pre-RL baseline) while checkmate confabulation is eliminated entirely. To locate this gain, we run a six-condition causal intervention suite on the same model before and after RL: substituting or adding matched noise to the latent thought vectors leaves performance unchanged, ablating them causes only mild degradation, and only exact-zero vectors cause collapse. This robustness gap is itself the finding: under exact-zero corruption, legality collapses to 1% pre-RL versus 9% post-RL, a gap that survives correction for testing across the full battery; milder conditions trend similarly without independently reaching significance. RL appears to add robustness to disruption, not reliance on thought content. These results push back against the field's default assumption that latent thoughts function as an actively consulted inference-time scratchpad, and instead indicate latent reasoning's principal effect here is shaping the model's parameters during training. We also demonstrate a working RL gain in chess, a domain outside the math and logic settings where multiple groups report the same latent-reasoning-plus-RL recipe failing to improve accuracy over SFT.
Authors: Rafael Ayll\'on-Gavil\'an, Francisco Jos\'e Mart\'inez-Estudillo, David Guijo-Rubio, C\'esar Herv\'as-Mart\'inez, Pedro A. Guti\'errez
Abstract: Ordinal Classification (OC) deals with classification tasks where the classes follow a natural order. Despite the progress in OC, many existing approaches fail to fully leverage the ordinal information, treating the problem as nominal classification and thereby losing performance potential. In this work, ADABORD, an AdaBoost framework specifically designed for ordinal classification problems, is introduced. The ordinal nature of the classes is incorporated into two key components of the well-known AdaBoost algorithm: 1) the base estimator, where decision trees with the ordinal Gini splitting criterion are proposed; 2) the error function used to update sample weights at each stage and the weights of the classifier in the final ensemble model, given by the absolute ranked probability score, a measure that accounts for both the ordering and the distance between classes. ADABORD is extensively compared against seven state-of-the-art methods on the TOC-UCO repository, the largest benchmark collection for OC to date. The experimental results, supported by statistical analysis, show that ADABORD significantly outperforms competing methods, particularly on datasets with five or more classes, where the ordinal structure becomes more pronounced. Source code, along with all experimental protocols, is publicly available to ensure reproducibility and facilitate future research in OC.
Authors: Xiaolong Li, Zhangchen Zhou, Zhi-Qin John Xu
Abstract: Most explanations of training instability focus on \emph{learning-rate criticality}, typically characterized by the Edge of Stability, beyond which optimization becomes unstable. We argue that, in practical deep neural network training, there is an additional and often overlooked \emph{weight-norm criticality}. This criticality is induced by the interaction between normalization (which introduces scale-invariant components) and weight decay (which persistently shrinks parameter norms). As the weight decay coefficient increases, the norms of scale-invariant weights are progressively driven toward zero. Meanwhile, the sharpness of the loss landscape increases rapidly, destabilizing the optimization dynamics and resulting in abrupt loss spikes. This perspective provides a rationale for why weight penalties can improve generalization yet cannot be made arbitrarily strong: excessive decay drives scale-invariant weight norms past a critical boundary and destabilizes training. Our work provides a new mechanistic understanding of loss spikes through the lens of \emph{weight-norm criticality}. Moreover, \emph{weight-norm criticality} yields testable predictions that we validate empirically in networks with scale-invariant components, providing empirical support for the proposed mechanism.
Authors: Zhuan Liang, Zheng Zhai
Abstract: Spectral methods are among the most widely used techniques for community detection, clustering, and graph learning. Their performance, however, critically depends on the accurate estimation of the underlying spectral subspace and can deteriorate substantially in the presence of noise, outliers, or model perturbations. To address this limitation, we propose a Regularized Projection Matrix Approximation (RPMA) framework for robust estimation of rank-$K$ projection matrices. RPMA extends classical spectral projection by incorporating a regularization term, producing projection estimates that are more robust, sparse, and interpretable. We formulate the proposed model as an optimization problem on the manifold of rank-$K$ projection matrices and exploit its geometric equivalence to the Grassmann manifold. Based on this manifold characterization, we derive the first- and second-order optimality conditions, establish the local stability of the regularized leading eigenspace, and characterize the stability of the critical-point landscape under sufficiently small regularization. To efficiently solve the resulting nonconvex optimization problem, we develop a Riemannian gradient projection algorithm with backtracking line search, together with a more efficient Cayley--Sherman--Morrison--Woodbury (Cayley--SMW) gradient method that avoids repeated eigendecompositions. Extensive experiments on both synthetic and real-world datasets demonstrate that RPMA substantially improves the recovery accuracy of projection matrices and consistently outperforms conventional spectral projection methods for community detection and clustering under noisy environments.
Authors: Kritanu Chattopadhyay, Sayanjit Singha Roy, Soumya Chatterjee
Abstract: Automated detection of vision impairing retina-based ocular conditions from fundus images is important for early screening, timely referral and reducing dependency on specialist-only assessment, for which neural network-based deep learning (DL) models have been widely utilized. However, explainability of the DL frameworks remains a major bottleneck for clinical adoption, particularly when model decisions are not linked to retinal regions that are clinically meaningful. To address this issue, this study presents CounterFundus, a novel CycleGAN-driven counterfactual explainability framework, integrating EfficientNet-B5-based retinal disease detection with visually interpretable disease-to-normal fundus image translation. For each pathological image, the counterfactual yielded by the CycleGAN generator represents an estimated healthy counterpart and the resultant difference map is utilized to localize disease-associated retinal changes. Unlike conventional post-hoc saliency methods, CounterFundus provides counterfactual explanations through visually plausible disease-to-normal retinal translation. Thereafter, to quantify the spatial agreement between counterfactual difference maps and classifier saliency, the Counterfactual-Classifier Alignment Score (CCAS) is introduced, embedding Spearman correlation, binary IoU and pointing accuracy into a single assessment protocol. To this end, EigenCAM-aligned evaluation demonstrates that the generated counterfactual explanations remain spatially consistent with classifier-relevant retinal evidence across all CCAS dimensions. Along with that, ablation studies further confirm that CCAS-filtered counterfactual augmentation improves the downstream classification performance in fundus images, establishing CounterFundus as a clinically-grounded, explainable artificially intelligence (XAI) framework for retinal disease detection.
Authors: Muntasir Adnan, Manile Srun, Carlos C. N. Kuhn
Abstract: The original ALPHA benchmark introduced a taxonomy-aware penalty for evaluating CWE-level vulnerability prediction in Python and proposed that the penalty could theoretically also serve as a training signal. This paper provides that validation. We compare three delivery mechanisms: supervised fine-tuning, a dual-head classification loss, and reinforcement learning with a dense reward derived from the normalised penalty. We find that supervised approaches consistently regress below the zero-shot baseline under distribution shift, while GRPO succeeds. Our best policy reduces the cumulative ALPHA penalty of Qwen2.5-Coder-7B on Security Hardening and Adversarial Testing (SVEN) dataset by 27.9% under greedy decoding, and by 25.5% under sampled decoding(p = 0.005, Welch's t-test), reaching statistical parity with its 4.5x larger zero-shot teacher. We conclude that the value of a hierarchical penalty as a training signal depends largely on the directness of its delivery.
Authors: Hariharan Ramesh, Jyotikrishna Dass
Abstract: Fine-tuning Vision Transformers (ViTs) with low-rank adapters (LoRA) promises better communication efficiency under federated setup, yet existing aggregation strategies face fundamental limitations. Independently averaging these LoRA factors is mathematically inconsistent, introducing cross-term aggregation error. In contrast, approaches that preserve heterogeneous client ranks by concatenating local adapters on the server substantially increase download cost and often require merging global LoRA updates into pretrained weights on the clients, causing reinitialization lag and unstable convergence. Other approaches further increase server-side overhead by reconstructing dense weight updates or training auxiliary models to refine aggregation error. In this work, we propose SpecTraL, spectral transformation for layer-wise global rank discovery, that resolves these challenges within a unified design. SpecTraL stacks local LoRA modules from clients and performs orthonormal Householder Transformation of the stacked adapters directly in the low-rank latent space, eliminating dense reconstruction of the global update and any auxiliary refinement on the server. By leveraging the Spiked Covariance Model from Random Matrix Theory, SpecTraL analytically separates the global consensus signal from non-IID noise, discovering optimal layer-wise global ranks without manual hyperparameter tuning. To match local ranks in subsequent rounds, we introduce a padding-aware initialization framework that lets clients incorporate residual LoRA dimensions without re-merging them into the pre-trained base model. Experiments on federated fine-tuning of ViT-B/16 and ViT-L/16 over DomainNet and NICO++ demonstrate improved accuracy-communication trade-offs, reduced server computation, and elimination of hyperparameter search for rank selection. Our code is available at https://github.com/DASS-Lab-Group/SpecTraL
Authors: Yun-Ye Cai, Hsuan-Tien Lin
Abstract: Long-horizon weather forecasting is a fundamental challenge in atmospheric science, for which autoregressive Deep Learning Weather Prediction (DLWP) has emerged as the primary paradigm. Although the autoregressive pipeline is highly scalable and flexible, its prediction errors grow rapidly over long forecasting horizons. In this work, we study this error growth phenomenon from both theoretical and empirical perspectives. Our analysis reveals that the growth is driven by a feedback loop between output errors and input distribution shifts. Specifically, the autoregressive process amplifies small initial output errors, which progressively corrupt subsequent input distributions, echoing the butterfly effect in atmospheric science and ultimately deteriorating forecasting accuracy over longer horizons. Furthermore, we show that this distributional shift originates at the earliest stage of inference, with out-of-distribution signatures detectable as early as the first autoregressive step. To mitigate this issue, we propose \textbf{Self-Output Fine-Tuning (SOFT)}, a plug-and-play strategy that leverages the model's own one-step predictions to calibrate the biased input distribution encountered at the first step. Extensive experiments demonstrate that, despite its simplicity, SOFT achieves state-of-the-art performance on long-horizon forecasting tasks and substantially reduces both prediction errors and distributional discrepancy. The success of SOFT highlights the importance of reexamining the fundamental pipeline of deep learning weather prediction, representing a critical pipeline advance for atmospheric science.
Authors: Francis Ndikum Nji, Vandana Janeja, Jianwu Wang
Abstract: Deep subspace clustering plays a critical role in applications involving multivariate spatiotemporal data, such as sea ice monitoring, disease spread analysis, and tracking neuro-degeneration over time. Despite recent advances, existing methods primarily rely on geometric self-expressiveness, assume static subspace structures, and often fail to capture causal dependencies, local spatial interactions, and long-range temporal dynamics inherent in complex spatiotemporal systems. To address these limitations, we propose a novel Causal Adversarial Subspace Clustering (CASC) framework for discovering evolving latent regimes in high-dimensional spatiotemporal data. CASC integrates a U-Net-inspired deep adversarial clustering architecture with stacked FAConvLSTM layers to preserve spatial and temporal structure while learning robust latent representations. A graph attention transformer-based self-expressive network is introduced to jointly model local spatial relationships, global dependencies, and long-range temporal interactions. Furthermore, we propose two new learning objectives: (1) a Causal Subspace Preservation Loss that aligns self-expression coefficients with latent causal relationships, encouraging clusters to reflect underlying causal processes rather than simple feature similarity, and (2) a Dynamic Temporal Subspace Evolution Loss that captures evolving subspace structures and temporal regime transitions in nonstationary environments. Together, these components transform deep subspace clustering from a correlation-driven paradigm into a causal-temporal regime discovery framework.
Authors: Yeoktatt Cheah, Mar\'ia P\'erez-Ortiz, Noah Y. Siegel, Oana-Maria Camburu
Abstract: We propose a Reinforcement Learning (RL) method to directly optimize the faithfulness of self-explanations - the extent to which a model's generated reasoning accurately reflects its internal decision-making process. While existing work focuses on evaluating faithfulness or using inference-time prompting frameworks to improve an LLM's self-explanation's tractability, these approaches do not provide a mechanism to directly optimize a model's parameters to generate faithful self-explanations. We bridge this gap by modifying existing faithfulness metrics into an RL training objective. We investigate (1) if models can be trained to accurately detect factors that affect their decisions, and (2) whether RL can directly optimize for the disclosure of these factors thereby improving LLM self-explanations' faithfulness. We experiment with two intervention types: random-word insertions and user-bias insertions, using a per-sample reward derived from the Phi-CCT correlation metric. RL fine-tuned Llama3.1-8B and Qwen3-8B show substantial improvements on the Phi-CCT faithfulness metric, with in-distribution scores rising from near-zero to as high as 0.664, and out-of-distribution scores reaching up to 0.691 on held-out tasks such as StrategyQA. Cross-intervention generalization is weaker but more interesting: a priori we would not expect a model trained only on random word insertions to generalize to user-bias phrases, yet Llama3.1-8B shows non-zero transfer in this direction. The reverse direction and Qwen3-8B do not replicate this, indicating model-dependent and setup-dependent effects we cannot yet explain. Lastly we analyze model behavior to rule out reward gaming behaviors that often plague RL training. Ultimately, we show that models can be trained to implicitly identify influential factors and disclose them, offering a scalable path toward reducing unfaithful reasoning in LLMs.
Authors: Bizu Feng, Zhimu Yang, Shuming Wang, Shaode Yu, Yuan Cheng, Xiaojun Qian, Zixin Hu
Abstract: We study feature-level and node-level explanations for graph neural networks (GNNs) through the lens of Aumann-Shapley attribution. Path-integral methods such as Integrated Gradients provide an axiomatic formulation of attribution, but their practical use in deep GNNs typically relies on finite-sample numerical approximations to the path integral, requiring a trade-off between quadrature error and computational cost. This paper proposes APEX, a model-attribution co-design framework that makes the attribution integral exactly computable under a polynomial GNN architecture. The key component is PolyGIN, a GIN-style graph network whose message-passing, normalization, and transformation operations preserve a bounded multivariate polynomial form for scalar model scores, such as pre-softmax logits. We show that, for a PolyGIN with $L$ polynomial transformation blocks, the derivative along the attribution path has degree at most $2^L-1$. Therefore, Gauss--Legendre quadrature can evaluate the Aumann--Shapley path integral exactly, up to floating-point precision, with $2^{L-1}$ deterministic evaluation points. The resulting attributions can be computed at the feature level and then aggregated into node-level scores while preserving completeness. Experiments on synthetic and real-world graph benchmarks show that PolyGIN maintains competitive predictive performance, while the complete APEX framework achieves higher attribution fidelity than the compared baselines and substantially reduces the number of evaluations required for path integration.
Authors: Michele Bellomo, Riccardo Ramaschi, Alberto Dolara, Tomaso Aste
Abstract: Temporal point processes (TPPs) provide a general and flexible framework for modeling sequences of events in continuous time. Neural networks have been successfully employed to model TPPs in a highly expressive and data-driven way. Neural TPPs are typically trained via Maximum Likelihood Estimation (MLE) by minimizing the negative log-likelihood (NLL), which depends on both the conditional intensity function (CIF) and its integral over time, the compensator. Recent neural TPP approaches enable exact evaluation of the NLL without numerical integration. However, these methods typically model the compensator rather than the CIF directly, impose constraints on the neural network architecture, and are computationally expensive during training, as event contributions to the NLL are evaluated sequentially rather than in parallel. In this work, we propose a novel neural TPP model that directly parametrizes the CIF as a non-negative combination of B-spline basis functions, whose coefficients are predicted by a neural network. This formulation enables exact evaluation of the NLL, preserves full flexibility in the neural architecture, allows efficient parallelization during training, and naturally supports CIF smoothness regularization through the integrated squared second derivative. Experiments on both synthetic and real-world datasets show improved computational efficiency and predictive accuracy compared to the reference neural TPP baseline.
Authors: Chaofan Pan, Lingfei Ren, Xiangyu Jiang, Yanhua Li, Xuemei Cao, Xiangkun Wang, Hao Yu, Wei Wei, Xin Yang
Abstract: Offline Reinforcement Learning (RL) agents are trained on fixed behavioral trajectories, which makes trajectory-level deletion important when selected data must be removed after training. Evaluating such deletion is difficult because a lower membership score can reflect trajectory removal, residual memorization visible to another attack, or policy collapse that destroys useful behavior. We introduce Trajectory-level memOrization and Unlearning in offline RL (TOUR), a benchmark that combines trajectory-level partitioning, matched non-member controls, retraining references, retained-performance anchors, and multi-attack privacy auditing. Across D4RL locomotion experiments and an exploratory AntMaze extension, TOUR shows that common deletion baselines have environment-dependent privacy-utility behavior. Retraining and fine-tuning often provide stronger retained-utility references than uniform GA+Refit, while TrajDeleter remains a useful comparator but is not uniformly stronger under the same audit. Reference-model, threshold, deviation, equivalence, action-error, representation-based, and query-limited attacks further show that a single likelihood-based membership score can overstate deletion quality. In the evaluated settings, conclusions about offline RL unlearning are therefore not stable under single-score auditing. They depend on matched non-member construction, retraining-relative calibration, attack family, retained utility, and explicit scope for diagnostic architecture or component-level evidence.
Authors: Davide Marelli, Giorgia Rigamonti, Mirko Paolo Barbato, Paolo Napoletano
Abstract: Preprocessing blood glucose time-series data is a critical yet often overlooked step in developing data-driven methods for diabetes management, particularly for type 1 diabetes. The lack of standardized preprocessing workflows and evaluation protocols hinders reproducibility and complicates fair comparison across studies. These challenges are further exacerbated by data-sharing restrictions, as privacy and licensing constraints often prevent the redistribution of preprocessed medical datasets. To address these limitations, we present GlucoTune, a comprehensive and extensible framework for reproducible experimentation with blood glucose time-series data. The framework standardizes the entire experimental workflow, from preprocessing to model evaluation, enabling reproducible experiments directly from the original datasets. Reproducible preprocessing is achieved through configurable pipelines defined in portable YAML configuration files, ensuring consistent data handling without distributing sensitive preprocessed data. Beyond preprocessing, GlucoTune provides a unified interface for implementing, training, and evaluating blood glucose prediction models. The framework integrates public datasets through standardized wrappers and provides a curated collection of state-of-the-art blood glucose prediction and general time-series forecasting methods, while remaining readily extensible to additional datasets, preprocessing strategies, and forecasting models. To promote transparent and consistent evaluation, GlucoTune includes a benchmarking leaderboard that reports results across datasets, preprocessing configurations, and forecasting methods, enabling systematic comparison of experimental settings. We demonstrate the effectiveness of GlucoTune through comprehensive experiments and assess its usability in a user study.
Authors: Marc H\"oftmann, Jan Robine, Stefan Harmeling
Abstract: In reinforcement learning, critics typically estimate absolute state values $V(s)$, estimating how good a particular situation is in isolation. However, it turns out that only differences in value are relevant for control. Motivated by this, we propose Relative Value Learning (RV), a framework that learns value differences directly via an antisymmetric function $\Delta(s_i, s_j) = V(s_i) - V(s_j)$. We introduce a pairwise Bellman operator and prove it is a $\gamma$-contraction with a unique fixed point equal to the true value differences, derive well-posed $1$-step, $n$-step and $\lambda$-return targets and reconstruct generalized advantage estimation from pairwise differences to obtain an unbiased policy-gradient estimator (R-GAE). Beyond theoretical results, we integrate RV with PPO and achieve competitive performance on the Atari benchmark (49 ALE games) compared to standard PPO, indicating that relative value estimation is an effective alternative to absolute critics.
Authors: Alex O. Davies, Eunice Lo, Rui Zhu
Abstract: Estimating heat-related mortality risk is a core task in environmental epidemiology, typically addressed with Distributed Lag Non-linear Models (DLNMs); interpretable exposure-response surfaces fitted to temperature-mortality time series. DLNMs are effective but ignore demographic and geographic context, despite well-established relevance to heat vulnerability. We propose Risk Graph Neural Networks (RGNNs), a hierarchical GNN encoder that uses granular census features to optimise DLNM coefficient vectors, preserving interpretable risk curve outputs while substantially improving predictive calibration. Evaluated across 10 regions of England and Wales on two unprecedented heat years, RGNN variants maintain both lower point-errors and near-nominal uncertainty coverage during the 2022 heatwave where baselines collapse.
Authors: Xiaolong Liang, Juanjuan Li, Rui Qin, Yisheng Lv
Abstract: Outsourced Transformer inference exposes clients to model substitution and incomplete execution, while direct replay removes the computational benefit of delegation. We present GKR-HND, a registered-model protocol for verifying the polynomial backbone of Homomorphic--Nonhomomorphic Decomposition Transformers. The retained verifier checks the GKR transcript and registered-weight openings, but delegates expensive public evaluations to an assigned computation worker. Assuming an honest retained verifier and prover--worker non-collusion, the verifier accepts only when the worker's signed, request-bound response agrees with the proof claims. Experiments with pretrained HND models validate the proof path and the delegated public computation without dense-matrix replay.
Authors: Irena Girshovitz, Dan Zeltzer, Ran Gilad-Bachrach
Abstract: While automated research systems promise to accelerate empirical analysis, they are prone to silent failures: instances in which analysis code executes successfully yet relies on invalid causal assumptions. We present the Artificial Intelligence (AI)-based Epidemiology Research Assistant (ARA), a framework that makes these failures visible by explicitly encoding causal design principles, study-specific assumptions, and methodological constraints. ARA integrates protocol construction, synthetic data generation, and adversarial validation into a unified pipeline. The framework translates natural language research questions into structured causal protocols and executable analysis code by first constructing a protocol and then generating synthetic datasets using Structural Causal Models (SCMs) with known ground-truth effects. This synthetic-data step can also support pipeline development when access to confidential data, such as medical data, is restricted. The generated analysis is then evaluated under controlled violations of identification assumptions. We evaluate ARA on the Automated Causal Reasoning Benchmark, assessing recovery of identification strategies, causal quantities, treatment and outcome variables, and consistency between generated code and approved protocol. Protocol construction and adversarial validation did not consistently improve numerical agreement with benchmark estimates compared with standard LLM-based generation. However, they changed the failure mode: instead of silently returning causal estimates, ARA often surfaced protocol concerns, diagnostic failures, incomplete inference, or downgraded non-causal interpretations. These findings suggest that validity-first automated science systems should be evaluated not only by answer accuracy, but also by whether they indicate when causal claims are unwarranted.
Authors: Purui Zhang, Feng Ji, Yanan Zhao, Bihan Wen, Wee Peng Tay
Abstract: Graph signal processing tasks that leverage spectral information typically assume access to the complete graph topology, which is often unavailable in practice. We propose a systematic framework for subgraph filter learning (SFL), where subgraph-supported operators approximate ambient graph filters under partial observations. We formulate SFL as a statistical learning problem in which optimal subgraph operators are inherently data-dependent. To address the difficulty of directly estimating such operators, we develop a subgraph filter algebra based on distance-aware Laplacian constructions, defining a structured and controllable class of filters for effective approximation. We further establish performance risk bounds under the least squares loss, quantifying how well the learned operator approximates the restricted ambient mapping. Experiments real-world datasets show that, for SFL tasks, the proposed algebraic models consistently outperform polynomial filters, distribution-agnostic operators, and direct numerical filter learning baselines that attempt to recover the underlying structure from data.
Authors: Yu Wang
Abstract: Dense per-step supervision is an appealing remedy for sparse-reward, long-horizon LLM agents: reward the agent for predicting its next observation, and memory should follow. We show that under group-normalized RL (GRPO), this recipe does not merely fail -- it destroys the policy. Across Qwen3-1.7B/4B/8B on ALFWorld, a potential-based prediction reward drives every run into a degenerate absorbing state (prediction accuracy -> 1.0, task success -> 0,episode length pinned at the horizon): the "dark room" pathology, built automatically by the optimizer. A single-factor ablation localizes the cause -- removing only GRPO's std normalization turns the same reward from catastrophic (0%) into baseline parity -- and a two-line proposition explains why: in all-fail groups the z-scored advantage is invariant to the shaping coefficient, so bounded rewards become unbounded pressure and annealing cannot help. Our central insight generalizes this: what z-scoring amplifies is a dense signal's within-group variance while all-fail groups dominate, so signals whose variance decays by mastery are structurally amplifier-safe.This variance-profile criterion retrodicts our collapses, carries preregistered predictions for arms that had not yet run, and is consistent with published reward-channel successes (a compatibility check, not an independent test). Finally, a controlled signal-delivery matrix (identical signal, varying only the consumption mechanism) shows the reward channel is at best neutral while the auxiliary-loss channel gains ~20 points -- and a shuffled-gold placebo matches the true-gold arm, so the gap survives without correct labels. Endpoints are single-seed; seed replication and group-size controls are preregistered and in progress.
Authors: Jonas Pech\'e, Aliaksei Tsishurou, Alexander Zap, G\"unter Wallner
Abstract: Multi-task learning (MTL) is a promising approach for prediction tasks derived from video game state data, as modern game telemetry provides multiple related supervision signals from the same structured observations. We study whether a shared model trained jointly across tasks in team-based multiplayer games can improve generalization while reducing training and inference cost compared to specialized single-task models. We adapt a multimodal architecture for endpoint prediction to a general multi-task setting that combines rasterized vision inputs, global match context, and per-unit state information through an image encoder and attention-based interaction modeling. Experiments on a large proprietary World of Tanks dataset compare single-task and multi-task training, evaluate weighting strategies for mixed losses and conflicting gradients, and test pre-training/fine-tuning under limited target-data regimes. We also examine within-game transfer across game maps under structured environment shift.
Authors: Verona Teo, Raghav Jain, Tobias Gerstenberg, Max Kleiman-Weiner
Abstract: Large language models (LLMs) are increasingly used as tutors and thought partners, helping users reason through problems. While guidance from AI assistants can scaffold thinking and foster learning, such benefits depend on how they help--for instance, intervening too early or too frequently may hinder true learning and cognitive engagement. Yet how AI systems navigate intervention decisions during problem-solving remains poorly understood. Here, we introduce Int-Bench, a simulation-based benchmark for evaluating LLM interventions during learning. Int-Bench simulates a "student" solving a problem while a "teacher" monitors the student's reasoning and decides whether, when, and how to intervene. Across three domains--code debugging, mathematics, and brain teasers--we evaluate LLM teachers on the frequency and timing of interventions, as well as their impact on both immediate task success and generalization to new problems. We also compare LLMs to humans, finding that LLMs intervene more frequently and earlier than humans. Moreover, in contrast to humans, they tend to provide complete solutions rather than targeted hints. These findings suggest that current LLM assistants often optimize for short-term success rather than supporting the reasoning processes needed for deeper learning and long-term success.
Authors: Francesca Pia Panaccione, Carlo Sgaravatti, Marco Venere
Abstract: Integrating heterogeneous biomedical data, including clinical metadata, histopathology images, and molecular profiles, is crucial for comprehensive disease understanding. However, gene expression data acquisition remains constrained by high costs and privacy concerns, limiting its use in multimodal research and AI-driven applications. We present MultiModal Molecular Generation (M$^3$-Gen), a novel framework for the generation of gene expression profiles by conditioning a Generative Adversarial Network on histopathology images and clinical metadata. M$^3$-Gen learns a unified latent representation from the clinical variables and the images, leveraging contrastive learning, and exploits the embeddings of the two modalities to guide a generative model in producing biologically coherent gene expression profiles. Evaluations on the TCGA dataset demonstrate that M$^3$-Gen generates realistic and functionally meaningful gene expression data. Importantly, by integrating multiple modalities in an attention-based mechanism, M$^3$-Gen provides intrinsic explainability: it allows the identification of which regions of the histopathology images most strongly influenced the generation of specific gene expression profiles, making the model's decisions interpretable by design.
Authors: Kaizhen Tan, Heqing Du, Yang Feng
Abstract: A LoRA adapter is a few megabytes that almost everyone treats as a skill rather than a record of the data behind it. We put that assumption on a scale. Extending compression-based memorization analysis to the frozen-base setting, we measure directly, in bits, how much a low-rank adapter writes into a model it never changes. The answer is both smaller than full fine-tuning and less lawful than parameter counting would predict. Adapters store a couple of bits per trainable parameter, well short of a full model's budget, but that figure turns less on how many parameters an adapter carries than on where they sit. Move the same parameter budget from attention into the MLP and it holds nearly twice as much; strip the frozen base of its structure and the capacity all but disappears. Applied to realistic fine-tunes of Qwen2.5, the same instrument shows privacy leakage rising with the bits an adapter writes rather than the parameters it nominally has, and it draws a clean line between supervised and reinforcement learning: the secrets that supervised fine-tuning copies down verbatim, an adapter trained on verifiable rewards never records. Measuring what fine-tuning writes, rather than attacking it after the fact, turns a piece of folklore into a quantity one can design against.
Authors: Billel Habbati, Alessio Merlo, Luca Verderame, Meriem Guerar
Abstract: Machine unlearning aims to remove the influence of specific training data while preserving model utility. Many state-of-the-art approaches pursue this goal by restricting the forgetting update to a subset of parameters selected through gradient-based saliency. Although such methods are widely adopted, the actual contribution of saliency-based weight selection to representation-level forgetting remains unclear. In this work, we perform the first controlled ablation of the saliency masking mechanism used by SalUn. Using a matched-compute experimental design on CIFAR-10 and CIFAR-100 with ResNet-18, we compare saliency-based masking against random masks of equal sparsity and unconstrained updates, while keeping the unlearning objective, optimization schedule, and computational budget fixed. Across multiple representation-level evaluations, including linear probing, prototype recovery, and layer-wise CKA, the three configurations exhibit statistically equivalent representation-level recoverability. We find that forget gradients are strongly concentrated in the final network layers (approximately 92% of the squared gradient energy on CIFAR-10) before any mask is applied, causing all masking strategies to operate within the same representational subspace. Furthermore, saliency masks show limited class specificity (specificity index 0.09-0.11), selecting highly overlapping parameter subsets across different forget classes. Our findings suggest that, in the studied setting, representation-level forgetting is primarily governed by gradient concentration and representation geometry rather than by the specific identity of saliency-selected weights. More broadly, the results support a growing body of evidence indicating that effective representation-level unlearning requires objectives that act directly on latent representations rather than on increasingly sophisticated weight-selection strategies.
Authors: Mohammed Suhail B Nadaf
Abstract: Fine-tuning an aligned language model on a narrow stream of bad advice can make it broadly misaligned on questions unrelated to the training data, a phenomenon called emergent misalignment. We ask why the narrow lesson generalizes at all, and we find that narrow fine-tuning recruits a persona structure that is present in the model before the fine-tune exists. From a frozen instruction-tuned model (Qwen2.5-14B-Instruct) we extract per-domain persona subspaces by contrastive teacher forcing and find that 4 unrelated domains share one low-rank core at 657x a random-subspace null, with 82% of that core lying outside a style core built at matched diversity. The literal first optimizer step of fine-tuning on insecure code climbs a broad-misalignment margin harder than the same code framed as educational, and forecasts realized margin movement out to 375 steps. Projecting the subspace out of the residual stream throughout fine-tuning prevents broad misalignment (27.7% to 0.0% of judged generations) while a matched-rank random subspace changes nothing; injecting it into the never-fine-tuned model induces misalignment that grows with dose to 45.4%, past the fine-tuned model it is measured against. The same projection applied to the weight gradient is inert, and three post-hoc weight edits leave the disposition in place: the sharpest edit suppresses the behavior rather than removing it, and the ablated structure re-forms inside the subspace the edit cleared. Spreading a fixed budget of bad data across 4 domains produces more broad misalignment than mechanical weight superposition and matched diversity jointly account for. All measurements come from one model at 14B; the extraction is from an aligned instruction-tuned checkpoint, which leaves the structure's provenance open; and the intervention that prevents misalignment also abolishes the narrow trained behavior.
Authors: Hossein Mobahi, Peter L. Bartlett
Abstract: Deep neural networks encode complex representations, but deconstructing this internal knowledge remains a challenge. Given the link between learning and compression, network compression offers a promising lens to analyze this knowledge. However, standard compression heuristics often suffer from scale symmetries and architectural biases. To resolve these, we introduce Hilbert Operator for Progressive Encoding (HOPE), a mathematical framework to gradually deconstruct the representations in trained network weights. HOPE shifts network compression from the discrete domain into a Hilbert space of continuous functions. By modeling individual neurons as rank-1 Hilbert-Schmidt operators, HOPE unifies pruning and neuron merging as low-rank subspace projection. Extending this formulation, HOPE introduces macro block eviction to encompass multi-layer structures like entire residual pathways under the same unified metric. This unified approach enables unbiased architectural decisions across layers with different types and sizes. HOPE is a data-free and hyperparameter-free framework. We present proof-of-concept experiments in model compression and fine-tuning to highlight the practical potential of our theory.
Authors: Jingyuan Li, Xiaoyi Jiang, Yixuan Jiang, Wei Liu, Yi Zhu, Zuoqiang Shi, Pipi Hu
Abstract: Score Entropy Discrete Diffusion (SEDD) parameterizes discrete reverse processes with unconstrained positive score ratios. While positivity guarantees nonnegative reverse jump rates, it does not ensure Bayes realizability: ratios at a noisy state need not be jointly induced by any clean-token posterior under the forward kernel. The score-entropy loss has the correct population optimum but does not enforce this constraint away from it. In a trained pure-uniform SEDD checkpoint, roughly one quarter of complete score vectors violate the coordinate box, while more than half lie inside it yet remain materially incompatible with any valid posterior. Such violations can produce negative pre-normalization weights in finite-step sampling. Projecting raw scores onto the bridge polytope removes all observed negative weights and improves external generative PPL from $203.6$ to $175.1$ without changing the sampler. We introduce \emph{mean-to-score} (M2S), which predicts a clean-token posterior mean and converts it to the score through an exact kernel-dependent linear map. The construction applies to any known coordinate-wise continuous-time Markov chain (CTMC) satisfying a mild support condition. For uniform corruption, it maps the probability simplex onto the bridge polytope; for absorbing-mask corruption, the resulting objective recovers MD4 exactly. In a controlled 28.4M-parameter CIFAR-10 comparison, M2S lowers test BPD from $3.173$ to $3.129$ and FID-50k from $\CifarSEDDFID$ to $\CifarMtwoSFID$. A 170M-parameter M2S model trained on about 262B OpenWebText token slots outperforms the evaluated pure-uniform SEDD, GIDD, and Neural CTMC checkpoints at every tested sampling budget, reaching generative PPL $143.3$ at 128 steps versus $183.6$ for the strongest pure-uniform baseline.
Authors: Ziping Xu, Yuyi Chang, Chenshun Ni, Nithin Sugavanam, Asim H. Gazi, Pedja Klasnja, Emre Ertin, Susan A. Murphy
Abstract: Mobile-health interventions increasingly use online learning and decision making algorithms to personalize when to nudge users toward healthier behavior, but a poorly designed algorithm can burden and disengage participants. New algorithm design decisions should therefore be vetted against realistic simulated users before each real-life deployment. We propose a method to develop ``JITAI-Twins'': digital twins of a target subpopulation for comparing candidate online algorithms before a just-in-time adaptive intervention (JITAI) deployment. The method builds on a conditional time-series diffusion model that is temporally consistent (future actions do not affect the generated past), and it supports repeated updating from three sources of information, in three steps: pre-training on a large observational dataset, fine-tuning on small prior intervention deployments in related populations, and inference-time calibration to the next target population from domain-scientist expertise. We validate the twin at each pre-deployment stage of the long-running HeartSteps series (v2 through v4) of physical-activity suggestion intervention deployments, treating each successive deployment as an upcoming study. The proposed method reproduces the target subpopulation's temporal and between-participant structure better than simpler simulators. These results suggest that our twin can be used to simulate a target deployment before it runs, the prerequisite for testing and informing online algorithm design decisions.
Authors: Ahmad Halimi Razlighi, Maximilian H. V. Tillmann, Edgar Beck, Bho Matthiesen, Armin Dekorsy
Abstract: Cooperative multi-task semantic communication (CMT-SemCom) improves task execution performance by leveraging shared representations. However, as we demonstrated in [1], cooperative multi-tasking can be either constructive or destructive, depending on the semantic relationships among tasks. To ensure constructive cooperation, we propose a semantic-aware task clustering method for CMT-SemCom. We have formulated a sequential multi-stage optimization problem in which semantically aligned tasks are clustered once after a short initial training phase, and then end-to-end (E2E) joint training is conducted exclusively within the discovered groups. Specifically, the problem decomposes into two stages: (i) a semantic clustering problem leveraging hierarchical density-based spatial clustering, and (ii) an intra-cluster E2E CMT-SemCom learning problem. Simulation results demonstrate that the proposed framework effectively mitigates destructive cooperation and negative transfer, yielding accuracy gains compared to unclustered multi-tasking and individual training baselines.
Authors: Daniil Cherniavskii, Daniel Severo, Karen Ullrich
Abstract: Discrete flow matching provides a flexible framework for generative modeling on discrete structures. However, the standard factorized training objective exposes the model to targets of varying difficulty, mixing well-conditioned, predictable tokens with ambiguous, high-entropy ones. We empirically demonstrate that the uncertainty over the value of each token is closely related to the density of available context in its neighborhood. Motivated by this observation, we propose a simple modification to the underlying continuous-time Markov chain (CTMC) that incorporates local context information. Our context-weighted sampler improves generation quality with negligible computational overhead, while our scaled cross-entropy loss function reweights the training signal from different tokens and reduces generative perplexity by up to 63% on OpenWebText. Moreover, our approach matches a strong semi-autoregressive block diffusion baseline in quality while retaining the ability to perform generation in any order. These results highlight the role of local context as an important factor in discrete generative modeling and show that simple context-aware modifications can significantly improve both sampling and training efficiency.
Authors: Yann Bouquet, Alireza Khodamoradi, Kristof Denolf, Mathieu Salzmann
Abstract: Post-training quantization (PTQ) of diffusion transformers (DiTs) to W4A4 severely degrades output quality, because activations entering each linear layer contain outliers that 4-bit formats cannot represent. The standard fix applies an invertible linear transform to the activations and its inverse to the weights before quantizing both. Normalization layers between blocks force this transform to run online at every denoising step, making its inference computation cost the binding design constraint. Existing options trade quantization quality for inference cost: per-channel scaling (SmoothQuant) is computationally cheap but impacts the magnitude of the channels, which can harm quantization accuracy; fixed Hadamard transforms yield better quantization accuracy but require large block sizes that incur a high online cost; learned full-$d$ invertible transforms calibrate best but entail a prohibitive dense $d \times d$ matrix multiplication (GEMM) per layer per step. We propose KroQuant, a PTQ method that applies a learned Kronecker-structured invertible transform to each 32-element block of the activation, storing less than half the parameters of per-channel scaling. The block-local structure runs as small tensor-core GEMMs, and on an MI350 GPU the KroQuant quantizer kernel is up to $14\%$ faster than the SmoothQuant kernel. Offline LoRaQ weight calibration then absorbs the residual per-weight quantization error. On PixArt-$\Sigma$, SANA, and FLUX.1-schnell at W4A4 (MXFP4e2), KroQuant produces outputs closer to the FP reference than SVDQuant and LoRaQ on MJHQ-30K and SDCI, while preserving or improving image quality.
Authors: Rajiv Shailesh Chitale, Rahul Madhavan, Taneesh Gupta, Deepanway Ghosal, Aravindan Raghuveer
Abstract: Scaling inference-time computation has emerged as a reliable method to improve the performance of large language models on complex reasoning and programming tasks. However, standard approaches such as independent sampling and sequential multi-turn refinement operate without token-level credit assignment, resulting in computational inefficiency, since valid reasoning prefixes are frequently discarded. In this work, we introduce Test-Time Scaling via Error Localization (TTEL), an inference-time algorithm that utilizes fixed or environment feedback to perform token-level error localization. By comparing conditional probabilities under informed feedback against a null-context baseline, TTEL isolates the step at which an error occurred. The algorithm then truncates the trajectory and branches a new generation, maximally reusing the valid prefix. Extensive evaluations demonstrate that TTEL establishes strictly dominating Pareto frontiers across sequential reasoning domains, measured by pass-at-k vs. generated-token cost. With Qwen3-8B on LiveCodeBench, TTEL attains a pass@64 of 71.0% while generating approximately half as many tokens as independent sampling (360.4k vs. 735.0k). Generalizing to math benchmarks AIME-2025 and HMMT-2025, TTEL cleanly outperforms competing test-time baselines across both Qwen3-8B and Qwen3-4B-Thinking-2507.
Authors: Peng Xie
Abstract: Deterministic KV-cache eviction keeps the top-$k$ tokens under an importance score and deletes the rest. We prove that this design cannot know what it destroyed: evicted values can be altered so that everything the serving system retains is unchanged while the true attention-output error grows arbitrarily, so no serving-time estimator of that error is consistent. Randomized eviction restores identifiability. With a Poisson-sampled tail at known inclusion probabilities, one logit offset performs the H\'ajek correction inside the softmax, and a survey-sampling variance estimator over the retained set becomes a per-step error certificate with 0.97 empirical coverage at no accuracy cost. On real workloads we pre-registered seven claims and lost three: question-aware eviction at 25--50\% budgets is nearly free; output log-probability predicts failure better than the certificate; certificate-gated budget escalation adds nothing. What survives is attribution: the certificate separates cache-induced from inherent failures (AUC 0.73--0.75, against 0.47--0.54 for output confidence) and schedules recomputation better than random or confidence gating. Randomization buys attribution, not prediction.
Authors: Martin Anthony, Kaveh Salehzadeh Nobari
Abstract: An initial high-recall stage in an empirical pipeline decides which items pass to later review, labelling, or modelling, and relevant items it misses are lost to every subsequent stage. We study how many audit labels are needed to certify, with finite-sample validity, that this missed relevant mass is small, and our main results characterise the label complexity of this problem. We first show that no procedure using only labels from inside the candidate set can certify any non-trivial bound on the missed mass: the audit must sample the excluded pool, the only region where unrecovered relevant items can lie. We then prove a matching finite-corpus lower bound. Any valid audit that certifies fewer than $m$ missed relevant items with high probability when none are present, even if adaptive and permitted to label the entire included pool, must inspect on the order of $N_0/m$ excluded-pool labels. Excluded-pool auditing is therefore minimax rate-optimal, not merely convenient, for missed-mass certification in the zero-miss regime. Building on this characterisation, we develop an exact finite-sample toolkit, using binomial and hypergeometric inversion rather than asymptotic approximation, that certifies missed mass, converts it to recall through a two-pool design, certifies pre-specified families of nested candidate generators simultaneously, and produces stress-test certificates against declared perturbation mechanisms. These certificates can be paired with observable review burden to select the least burdensome pre-specified candidate generator meeting a missed-mass target. Every guarantee holds under one discipline: the candidate generator, or the pre-specified family from which it is selected, and the audit rule are fixed before the certification labels are examined.
Authors: Gil Lifshits, Igal Bilik, Gilad Katz
Abstract: Coordinating autonomous vehicles at unsignalized intersections remains a critical challenge for multi-agent reinforcement learning (MARL) systems, which typically struggle with combinatorial action spaces, reliance on privileged information, or rigid agent designs. We propose Master-Agent Proto-plan System (MAPS), a hierarchical deep reinforcement learning (DRL) architecture in which a centralized Master agent generates a compact, continuous embedding, denoted as proto-plan, that encodes a global coordination strategy. Decentralized Worker agents integrate this embedding with local observations to execute vehicle-specific control, decoupling strategic intent from tactical execution and enabling independent optimization of each module. As a proof-of-concept evaluation of this coordination mechanism, we test MAPS across 72 intersection configurations in HighwayEnv. MAPS achieves collision-free navigation while significantly reducing average travel time, outperforming state-of-the-art baselines. The learned proto-plans further exhibit robust generalization: a system trained with three agents achieves a 94% success rate when deployed zero-shot to five-agent scenarios, confirming that proto-plan-based hierarchical learning provides a promising framework for multi-vehicle coordination.
Authors: Alagappan Valliappan
Abstract: Speculative decoding accelerates autoregressive generation by having a cheap draft propose tokens that a target verifies in parallel. Frontier models increasingly ship a built-in Multi-Token-Prediction (MTP/NEXTN) draft head under the assumption that the draft is negligibly cheap. At million-token context this breaks: an MTP draft head typically runs full attention over the entire KV cache at every draft step, so its read grows linearly with context and comes to dominate the draft cost -- precisely where speculation is most valuable. The effect compounds with draft length (a deep native draft can turn net-negative, slower than no speculation) and sharpens under hybrid/linear-attention targets, where cheaper verification leaves the draft's full-attention read exposed. We apply a StreamingLLM-style sliding window plus attention sink to the draft's attention only (Windowed-MTP), leaving full-attention verification intact. It is training-free, drop-in, and lossless by construction: the full-attention target still decides every accepted token, so windowing changes only which tokens are proposed, never which are accepted. It bounds the draft's KV working set to a constant, dropping ~99% of KV entries at 1M. Across three architecture families (Qwen GDN-MoE 35B/122B and a Mamba2-hybrid NoPE 120B) at 1M context on a single GPU in SGLang, windowing cuts the per-decode-step cost over the shipping native MTP draft by +28% to +44%, an input-invariant margin that widens with context. Since per-token latency is this cost divided by acceptance length, at matched acceptance end-to-end decode latency improves by the same amount, and more where windowing also lifts acceptance, while preserving the target's verified output distribution. Finally, the unread draft KV -- 7.7-11% of total KV at 1M -- is reclaimed via a compact ring buffer at no acceptance or quality cost.
Authors: Yakun Wang, Leyang Wang, Song Liu, Taiji Suzuki
Abstract: We propose a new approach to two-sample testing for deciding whether two sets of samples are drawn from the same distribution. The test is built on a statistical discrepancy based on the zero-flow criterion, termed zero-flow discrepancy (ZFD). We prove the validity of ZFD and propose a practical testing procedure, termed the zero-flow two-sample test (ZF2ST). The key idea is to learn how samples from the two distributions are locally misaligned and use the resulting directional pattern as evidence of distributional difference. By separating witness learning from hypothesis evaluation, ZF2ST can use flexible neural networks while maintaining valid statistical calibration. We develop both regression-based and power-maximized approaches for learning the witness. Experiments on synthetic and image datasets demonstrate that ZF2ST can achieve strong testing power for structured distributional changes while maintaining well-calibrated type-I error.
Authors: Dongjie Fu, Di Cao, Xize Cheng, Zihan Zhang, Wenxu Jia, Yifu Chen, Shengpeng Ji, Yu Zhang, Tao Jin
Abstract: While large audio-language models have achieved remarkable progress in auditory perception, they still lag behind text-based large language models in deep logical reasoning, primarily due to the scarcity of high-quality audio reasoning data. To bridge this gap, we propose X$^3$-OPD, a cross-modal on-policy distillation framework that transfers reasoning capabilities from a powerful text teacher to an audio-language student. During training, the student generates reasoning trajectories conditioned on its own acoustic perception, while the teacher provides token-level guidance using matched textual inputs and verified answers. We further construct a three-tier symmetric corpus covering textual reasoning rendered into speech, audio-event reasoning grounded in complex acoustic scenes, and spoken-dialogue reasoning involving paralinguistic cues. This design extends cross-modal distillation beyond textually recoverable content to reasoning grounded in non-linguistic events, prosody, and conversational context. Experiments on MMSU, MMAU, BIG Bench Audio, and MMAR demonstrate that X$^3$-OPD substantially improves audio-grounded reasoning and chain-of-thought quality while largely preserving the model's existing capabilities under domain shift.
Authors: Aaron Feller, Kris Deibler, Maxim Secor
Abstract: Molecular property prediction from structure often uses a single representative conformation, even though many molecules exist as conformational ensembles in solution. We introduce EnsembleEGNN, a molecular ensemble foundation model that encodes an ensemble by first encoding each conformer with shared Equivariant Graph Neural Network (EGNN) layers, then pooling the resulting conformer representations with a Set Attention Block. We pretrain the model on CREMP, a cyclic peptide ensemble dataset, using a multi-task self-supervised objective combining masked token recovery, noisy-coordinate reconstruction, and pairwise distance reconstruction. On the CREMP-CycPeptMPDB dataset, training EnsembleEGNN from scratch fails entirely ($R^2=0.005$). However, the pretrained model reaches $R^2=0.477$ and Pearson $r=0.699$, outperforming the sequence-only BERT baseline ($R^2=0.439$, Pearson $r=0.667$). When EnsembleEGNN is co-trained end-to-end with the BERT sequence encoder, the hybrid model improves further to $R^2=0.538$ and Pearson $r=0.737$. These results demonstrate that encoding conformational ensembles into a single thermodynamically informed embedding improves cyclic-peptide property prediction.
Authors: Hongnan Ma, Yiwei Shi, Mengyue Yang, Weiru Liu
Abstract: Faithful explanations of time-series classifiers should identify subsequences that are not only sufficient to preserve a black-box model's prediction, but also necessary for maintaining it. However, existing sufficiency-oriented methods can assign high importance to spurious subsequences that support the prediction without being essential to the model's decision. We introduce \textbf{TimePNS}, a necessity-aware framework for time-series explanation. Inspired by Pearl's counterfactual notion of necessity, TimePNS assesses whether a temporal factor is necessary by intervening on it and measuring whether the original prediction is disrupted. The framework adopts a two-stage design. Stage I learns an identifiable causal generative process together with a sufficiency-oriented explanation mask. Stage II performs counterfactual interventions on temporal factors to derive necessity signals, which supervise a temporal gate that refines the initial explanation by suppressing non-essential components and emphasizing counterfactually necessary ones. Experiments on synthetic and real-world time-series benchmarks show that TimePNS more accurately identifies decision-critical subsequences and consistently improves sufficiency-necessity trade-offs over strong baselines.
Authors: Sophia Tang, Pranam Chatterjee
Abstract: Flow-based generative models have enabled remarkable progress in fast and controllable generation across continuous and discrete state spaces, yet existing parameterizations are constrained to fixed dimensions or fixed sequence lengths. Here, we introduce Expanding Generative Flows (EFlows), which define flows between distributions of increasing dimensionality along an expanding interpolant that grows the state by augmenting it with conditional noise. Building on this construction, we propose Expanding Flow Maps (EFMs), a new class of flow maps that distill the expanding interpolant into efficient few-step generative models. Each EFM factors the map between any two timesteps into two learnable operations: an expand operator, which augments the state space with new coordinates or tokens conditioned on the current state, and a transport map, which pushes the expanded state forward along the interpolant. Composing these operators yields a single map that jointly expands and denoises the state, recovering existing fixed-canvas flows and flow maps as the special case in which the expand operator is the identity. We further extend the framework to the discrete simplex, enabling variable-size graph generation and variable-length sequence generation. Across both continuous and discrete modalities, we establish EFlows and EFMs as a principled framework for settings in which output size is itself a learned, controllable degree of freedom.
Authors: Syed Mumtahin Mahmud, Mahdi Mohd Hossain Noki, Prothito Shovon Majumder, Abdul Mohaimen Al Radi, Sudipto Das Sukanto, Afia Lubaina, Md. Mosaddek Khan
Abstract: We introduce the largest real-world image deblurring dataset constructed from smartphone slow-motion videos. Using 240 frames captured over one second, we simulate realistic long-exposure blur by averaging frames to produce blurry images, while using the temporally centered frame as the sharp reference. Our dataset contains over 42,000 high-resolution blur-sharp image pairs, making it approximately 10 times larger than widely used datasets, with 8 times the amount of different scenes, including indoor and outdoor environments, with varying object and camera motions. We benchmark multiple state-of-the-art (SOTA) deblurring models on our dataset and observe significant performance degradation, highlighting the complexity and diversity of our benchmark. Our dataset serves as a challenging new benchmark to facilitate robust and generalizable deblurring models.
Authors: Syed Mumtahin Mahmud, Mahdi Mohd Hossain Noki, Prothito Shovon Majumder, Abdul Mohaimen Al Radi, Md. Haider Ali, Md. Mosaddek Khan
Abstract: Image deblurring is vital in computer vision, aiming to recover sharp images from blurry ones caused by motion or camera shake. While deep learning approaches such as CNNs and Vision Transformers (ViTs) have advanced this field, they often struggle with complex or high-resolution blur and computational demands. We propose a new dual-domain architecture that unifies Vision Transformers with a frequency-domain FFT-ReLU module, explicitly bridging spatial attention modeling and frequency sparsity. In this structure, the ViT backbone captures local and global dependencies, while the FFT-ReLU component enforces frequency-domain sparsity to suppress blur-related artifacts and preserve fine details. Extensive experiments on benchmark datasets demonstrate that this architecture achieves superior PSNR, SSIM, and perceptual quality compared to state-of-the-art models. Both quantitative metrics, qualitative comparisons, and human preference evaluations confirm its effectiveness, establishing a practical and generalizable paradigm for real-world image restoration.
Authors: Peiyan Zhang, Haibo Jin, Liying Kang, Haohan Wang
Abstract: Preference-based post-training is usually understood through endpoint behavior, yet the learned update that produces this behavior remains largely opaque. We study RLHF and related preference optimization through the spectral structure of their induced parameter updates. By decomposing effective LoRA updates and reloading their spectral components as plug-in modules, we turn preference-induced updates into objects that can be isolated, recomposed, and directly intervened on. Across model families, optimization algorithms, and supervision regimes, these updates consistently develop a spectral head--tail organization. A compact head emerges early and carries the dominant endpoint shift, while a heterogeneous residual tail remains. The split is functional rather than merely descriptive. Plug-in intervention shows that the head accounts for the visible behavioral departure from the base model, while the tail is weak in isolation. Cross-run recomposition further shows that mixed adapters follow the source of the head, indicating that the head carries run-level solver bias. This endpoint dominance does not imply learning sufficiency. Head-only learning is non-vacuous but fails to recover the full solution, especially on out-of-distribution behavior. Tail-only learning yields little visible gain, yet the full solution is not recovered without the tail. These findings recast preference post-training as structured update reorganization rather than a monolithic behavioral correction, and suggest that alignment gain and coverage loss are tied to how the learned update itself is organized.
Authors: Mykola Khandoga, Yevhen Kostiuk, Anton Polishko, Yurii Filipchuk, Kostiantyn Kozlov, Dmytro Zamriy, Artur Kiulian
Abstract: Every information ecosystem produces beliefs that shape strategic decisions. Both human analysts and AI systems inherit the blind spots of their information sources. We show that LLMs, combined with prediction markets, function as a calibrated instrument for measuring how far ecosystem-induced beliefs deviate from an external reference: LLMs extract the beliefs a text corpus implies, and prediction market price trajectories, anchored at resolution by realised outcomes, provide the calibration reference against which to quantify the deviation. We isolate the bias contribution of specific text through ablation: varying information context while holding the model fixed, with a contaminated model that knows actual outcomes as control. Applied to 111 Ukraine-related prediction markets, comprising approximately 93,000 predictions across four models, we find that English news context systematically biases territorial predictions, wrong 64 to 72 percent of the time when it pushes predictions toward territorial capture. A contaminated model that knows actual outcomes shows the same error rate, indicating that the bias originates primarily in the text. Supplementing with Ukrainian military-analytical sources reduces the bias for all clean models, while absolute-error gains are partial and model-dependent. We show that the distortion originates primarily in the sources, not the models. Consistent across four architectures, it will persist in any system that processes them and propagate into downstream decisions.
Authors: Daekeun Kim
Abstract: We release Naver-News-KO, a Korean news summarization dataset of 27,400 (document, summary) pairs collected from Naver News over a ten-day window in July 2022 across two categories (Economy and IT/Science; 77/23 split), with train/validation/test partitions of 22,194 / 2,466 / 2,740 and a mean per-record document-to-summary character-compression ratio of 6.03x. The dataset has been publicly hosted on the Hugging Face Hub since January 2023 and, as of May 2026, receives approximately 33,000 downloads per month; community-maintained Korean summarization models fine-tuned on it include Gemma-2B-ko and Gemma2-9B variants. This technical report (i) documents the collection protocol, the column schema, and the split construction, (ii) reports corpus-level statistics (length distributions, compression ratio, and a measured 16.8% near-duplicate title-Jaccard overlap between test and train that users should be aware of), (iii) positions the resource against other open Korean summarization corpora, (iv) provides a Lead-3 extractive reference point (ROUGE-1 55.1, ROUGE-L 50.6) and two reproducible fine-tuned baselines -- KoBART (R-1 56.6, BERTScore-F1 81.5) and Gemma-2B-ko with LoRA (R-1 55.3, BERTScore-F1 78.3) -- with release-time training scripts, and (v) clarifies the licensing and intended-use scope of the resource. The goal is to provide a citable reference for downstream work that already uses this dataset, not to propose a new benchmark.
Authors: Daekeun Kim
Abstract: We release GLAN-QnA-KR, a 303,581-row openly redistributable Korean instruction-QA corpus produced via the seedless taxonomy-driven GLAN synthesis pipeline with Microsoft's Phi-3.5-MoE-instruct as the producer model (generation: 2024-12; release: 2024-12; licence: OpenRAIL). The corpus spans a flat taxonomy of 1,084 English-labelled disciplines paired with Korean question/answer text, a 100-900 difficulty scale, and a median of 313 question characters and 1,098 answer characters per record. Two properties are atypical for synthetic instruction data at this scale: (i) exact duplicate questions number only 1 in 303,581 rows and character-trigram near-duplicate clusters at Jaccard >= 0.9 number zero in a 5,000-sample probe, and (ii) a two-layer contamination audit against KMMLU, KoBEST (five sub-tasks), and HAE-RAE-Bench shows a maximum test-vs-corpus question-level character-trigram Jaccard of 0.163 with zero test items at Jaccard >= 0.7, and a maximum multilingual-E5 cosine of 0.901 with a single test item at cosine >= 0.90 and zero at >= 0.95, across 20,000 sampled GLAN questions and seven evaluation sets. At the time of release, this is, to our knowledge, the largest single-pipeline synthetic Korean instruction corpus verifiable on the Hugging Face Hub and the only Korean >=100k-row corpus built under a seedless taxonomy-driven protocol. This note documents the generation protocol, corpus statistics, the contamination audit, and the licensing boundary in a form suitable for downstream citation.
Authors: Anmol Guragain, Marcos Estecha-Garitagoitia, Luis Fernando D'Haro Enr\'iquez, Ricardo de C\'ordoba
Abstract: This paper describes our system for the EEUCA 2026 Shared Task on toxicity classification in gaming chat. We implement a three-stage pipeline combining an ensemble of two compact transformers (DeBERTa-v3-base, 184M; XLM-RoBERTa-base, 278M) with a Linguistically-Informed Mediator (LIM) that resolves inter-model disagreements through corpus-backed lexical normalization, class-conditional unigram scoring, multilingual profanity detection, and agentive targeting analysis grounded in speech act theory. The LIM specifically targets the minority classes (Hate \& Harassment, Threats, and Extremism), which are the most safety-critical categories in real-world gaming moderation. To address the extreme class imbalance (1{,}450:1 Non-toxic to Extremism ratio), we introduce a two-stage data augmentation strategy using only the provided training data. Our system achieves a Macro F1 of 0.6441 and accuracy of 0.9062 on the official test set, ranking 3rd in Macro F1 and 1st in accuracy among all teams. The proposed pipeline is domain-portable: adapting to other gaming platforms requires substituting only the game-specific entity lexicon. Code is publicly available at https://github.com/Anmol2059/thaulab\_EEUCA.
Authors: Simone Angarano, Francesco Bertolotti, Federico D'Ambrosio, Michele Resta, Alessandro Rognoni, Nicol\`o Ruggeri, Dario Salvati, Andrea Valenti, Alberto Veneri, Martin Cimmino
Abstract: We introduce Domyn-Small, a 10-billion-parameter open-weight reasoning language model released under the MIT license. Domyn-Small is the product of an initial pre-training phase on 9 trillion tokens multilingual data, followed by a post-training pipeline for reasoning, instruction following, and context extension. For the latter, we performed a Continued Pre-Training (CPT) phase that doubles the native context window to 32K tokens, followed by SFT with a math-focused annealing run. Finally, the RL phase includes GRPO with verifiable rewards, DPO, and a multi-environment GRPO stage spanning five task domains: mathematics, code, multiple-choice QA, instruction-following, and tool calling. The 32K-token native context extends to 128K at inference via YaRN, and a chat-template toggle enables dual-mode reasoning. Against peer models in the 7--10B class (Qwen3.5-9B, OLMo-3-7B-Think, Nemotron-Nano-8B, Ministral-3-8B), Domyn-Small achieves a strong accuracy-efficiency balance: it produces roughly one-third as many tokens as Qwen3.5-9B and approximately 35% of OLMo-3-7B-Think's token budget on core reasoning benchmarks, while delivering strong instruction-following (IFEval 79.9) and competitive science reasoning (GPQA-Diamond 50.0). We release the weights and the post-training recipe alongside Domyn Swarm (Apache~2.0), an open-source framework for scalable LLM inference on HPC clusters developed during this program and used throughout this work.
Authors: Jessica Sena, Shesadree Priyadarshani, Miguel Contreras, Bharat Gandhi, Scott Siegel, Subhash Nerella, Parisa Rashidi
Abstract: Large language models show promise for clinical prediction, but zero-shot performance on specialized tasks is limited by incomplete domain knowledge, especially for smaller locally deployable models. We present a lightweight knowledge-injection framework for zero-shot ICU delirium prediction that augments a deterministic natural-language summary of structured electronic health record data with an external clinical knowledge report at inference time, without fine-tuning or retrieval. We evaluate LLaMA 3.1 8B and LLaMA 3.3 70B on 3,160 ICU admissions from the MIMIC IV dataset. Adding a clinically meaningful external knowledge report improves AUROC by 8.57 percentage points for the 8B model and 1.99 percentage points for the 70B model compared to no external knowledge. Relative to a GPT-5.2 frontier-model reference without external knowledge report (AUROC 68.86%), knowledge injection reduces the performance gap from 15.66 to 7.09 AUROC points for LLaMA 8B and from 5.30 to 3.31 AUROC points for LLaMA 70B. Random control reports do not improve performance and often degrade it, indicating that gains depend on clinically meaningful content rather than added prompt length alone. SHAP-based attribution further confirms that the injected knowledge is actively used during prediction. These findings suggest that inference-time knowledge injection can narrow the gap between locally deployable open-weight models and frontier closed models while preserving a practical, privacy-preserving workflow for resource-constrained clinical settings.
Authors: Yanhua Jiao, Tianyi Wu, Xiaoxi Sun, Yulin Li, HuiLing Zhen, Libo Qin, Baotian Hu, Zhuotao Tian, Min Zhang
Abstract: While parallel decoding is central to the efficiency of Diffusion Large Language Models (dLLMs), current strategies are often hindered by overly conservative confidence thresholds. These thresholds, necessitated by the Joint Probability Dependence Error (JPDE), result in redundant denoising iterations and suboptimal inference speeds. To overcome this, we propose DC-Leap, a training-free framework that enables reliable acceleration of dLLMs in the moderate-confidence regime. DC-Leap introduces a Dynamic Contiguous Verification strategy that integrates strictly-ordered causal constraints into the parallel decoding process. By progressively validating token dependencies, this mechanism effectively neutralizes the JPDE, enabling reliable acceleration with comparable performance. Furthermore, DC-Leap incorporates the draft-guided decoding mechanism, where the draft helps extend the context by leaping forward across multiple tokens, providing look-ahead context and retaining the structural benefits of bidirectional attention during inference. Extensive experiments on standard benchmarks demonstrate that DC-Leap achieves substantial speedups, up to 53.19x on MBPP for long-sequence generation, and up to 105.02x when combined with KV-Cache with comparable generation quality. Code is available at https://github.com/ffh-wyls/DC-Leap .
Authors: Pragaash Ponnusamy, Shivam Sahni, Jue Wang, Tri Dao
Abstract: Sampling in LLM inference comprises a combinatorial set of logit processing, token selection, and verification operations for speculative decoding. However, existing implementations either accelerate only subsets of this pipeline, rely on multiple kernel launches, or assume homogeneous sampling behavior across a batch, limiting support for dynamic serving workloads and preventing efficient CUDA Graph execution. We present $\textbf{SonicSampler}$, a unified suite of tile-aware Triton kernels that vertically fuses the complete sampling pipeline into a fixed, workload-aware execution model. Our kernels support dynamic per-request sampling behaviors, including grammar-constrained decoding, repetition, frequency and presence penalties, logit bias, temperature scaling, top-$k$ / top-$p$ / min-$p$ filtering, and speculative verification - within a single batched kernel while remaining fully CUDA Graph-compatible. Central to our approach is a novel hierarchical two-stage top-$k$ algorithm that achieves up to $\textbf{10x speedup}$ over competitive baselines and exploits the low-entropy structure of LLM outputs to enable efficient selection over large vocabularies. Across heterogeneous speculative decoding workloads, SonicSampler achieves up to $\textbf{16x speedup}$ over state-of-the-art baselines while preserving flexible batched execution.
Authors: Miaomiao Li, Yang Wang, Bin Liang, Shudong Liu, Zhiwei Zhang, Kam-Fai Wong
Abstract: Large language models (LLMs) have demonstrated remarkable performance on standard benchmarks, yet it remains largely unexplored whether they truly meet user expectations. Existing evaluation approaches, relying on model heuristics, expert rubrics, or user simulation, fail to capture the diversity and subtlety of real human expectations, causing models to appear competent while misaligning with what users actually seek. We present the first systematic study of user expectations in real-world LLM interactions, proposing a principled procedure to extract semantically rich expectations and introducing ExpectBench, a benchmark grounded in real user expectations. Analyses reveal that current LLMs struggle to satisfy and anticipate what users hope to obtain, highlighting a fundamental source of misalignment. Building on these observations, we propose LENS, a lightweight latent expectation-aware response generation framework. LENS enables models to internalize user expectations and generate better-aligned responses, consistently improving expectation satisfaction and underscoring the importance of explicitly modeling user expectations for realistic human-AI alignment.
Authors: Raffi Khatchadourian
Abstract: Standard evaluation benchmarks measure what a tool-using agent decides, not whether it arrives at that decision through the same process each time. We introduce DFAH-Bench, a replay benchmark that measures observable behavioral instability in financial agent decision-making across three channels -- tool-call trajectories, evidence contacts, and decision concentration -- none of which require access to hidden reasoning text. Across 8,127 replay episodes spanning 10 models and 3 financial tasks, we find that outcome agreement alone is an incomplete stability signal: frontier models can agree on decisions 95% of the time while following the same tool path only 77% of the time -- an 18-percentage-point gap (95% CI: [0.14, 0.22]) that outcome-only evaluation misses entirely. Among frontier-model case groups with high decision agreement, over 55% exhibit meaningful trajectory divergence. We identify three behavioral profiles: pattern matchers that achieve near-perfect agreement by collapsing to a single output regardless of input, stable executors with relatively consistent tool-use processes, and trajectory divergers that reach the same conclusions through materially different tool paths and evidence contacts. The benchmark code, metric scripts, replay logs, benchmark card, dataset README, and release manifest are released in the accompanying repository.
Authors: Quentin Besnard (RFAI), Nicolas Ragot (RFAI)
Abstract: Deep learning has led to remarkable progress in artificial intelligence, particularly in robotics, imaging and sound processing. However, a major limitation of neural networks remains their strong dependence on large and stationary datasets. In many real-world applications, these conditions are rarely met due to evolving and dynamic environments where data distributions change over time. Continual learning aims to address this challenge by developing models capable of adapting incrementally while maintaining a balance between stability and plasticity under computational constraints. In this work, we introduce a novel framework for continual time series forecasting, designed to extend existing static forecasting models commonly used in the literature by incorporating an Experience Replay strategy guided by Attention mechanisms. This approach allows the model to adapt dynamically to new contexts while preserving prior knowledge, effectively mitigating catastrophic forgetting. The framework is evaluated on standard forecasting benchmarks as well as on a piezometric dataset exhibiting diverse temporal behaviors. Results show that our approach effectively increases or maintains predictive performance over time while reducing retraining costs and data requirements, thus facilitating the deployment of forecasting models in dynamic and real-world settings.
Authors: Alexandre Cristov\~ao Maiorano
Abstract: Production LLM applications commonly stack a regex filter in front of model-side alignment; prior work found no measurable coverage gain from adding a live Gemini backend behind an active regex filter. We ask whether that ceiling holds when the corpus is \emph{designed to bypass the regex}. We introduce $L_5$-no-regex -- identical to $L_4$-real (Gemini-2.5-flash, token-budget cap, rate limit, output scrub) but with the nine-pattern filter disabled -- and evaluate it against $N{=}45$ adversarial probes across three sub-corpora (carry-forward, regex-bypass, alignment-isolate), amplified by Gemini paraphrase and PAIR to ${\sim}1{,}555$ probe-run pairs over $N{=}5$ replications. Under the primary substring classifier, H1 is refuted: $L_5$ block rate is $0,%$ across all five OWASP LLM Top-10 categories ($\Delta\text{pp}{=}0$ vs.\ $L_0$, $p{=}1.00$; Wilson upper bound ${<}5,%$). A secondary LLM-judge metric on PAIR variants shows $56$--$100,%$ block rates ($p{<}0.01$), revealing alignment does respond to adversarially-framed probes -- but produces refusals too nuanced for substring matching. The sub-corpus differential prediction is not supported ($p{=}1.00$). Alignment's contribution is \emph{metric-dependent}: on natural-language harmful-request probes, it adds zero observed coverage beyond the regex; on adversarially-framed variants, an LLM judge detects refusals the substring classifier misses. The locked corpus, mutation artifacts, and export scripts are released for replication.
Authors: Lazar Milikic, Simon Guilloud, Khanh Nguyen, Viktor Kuncak
Abstract: We present and evaluate LeanFlow, an LLM agent system specialized for translating mathematical papers into buildable Lean projects. Recent verifier-in-the-loop systems show that large formal artifacts can be produced, but it remains unclear which runtime mechanisms affect completion, auditability, or efficiency in document-to-project formalization. We study this question through case studies on two previously unformalized mathematical papers in number theory and measure theory, using model, proof-workflow, and toolset ablations with Kimi2.6 and GPT5.5; we report task outcome, API calls, input tokens, and output tokens. With Kimi2.6, the full workflow completes both document-level projects within the 2000-call budget, while no-queue variants reach the budget limit; with GPT5.5, all document-level variants complete, and the full workflow has the lowest or tied-lowest input-token cost on both sources. As complementary calibration, LeanFlow reaches 75.7% BEq+ on the PFR slice of RLM25 and solves all five ICML 2026 AI for Math TCS challenge projects in our GPT5.5 runs.
Authors: Md Monzurul Islam, Subasish Das
Abstract: Surrogate safety measures (SSMs) enable proactive traffic safety assessment, but many existing methods evaluate pairwise interactions independently or flatten multi-agent scenes into fixed feature vectors, limiting their ability to represent heterogeneous interaction structure and evolving scene-level risk. This study formulates traffic conflict assessment as temporal heterogeneous scene-graph classification and proposes HERMES, a heterogeneous edge-relational graph neural network with SSM-informed multi-head attention. Vehicles and pedestrians are represented as heterogeneous nodes, while vehicle-vehicle, vehicle-pedestrian, and pedestrian-pedestrian interactions are encoded as relation-specific edges with continuous kinematic and surrogate-safety descriptors. Relation-specific attention, dynamic node-edge updates, safety-aware graph pooling, and temporal sequence learning are jointly used to estimate scene-level conflict probability. HERMES was evaluated using 109,028 trajectory-derived sequences from a signalized urban intersection and tested on an independently collected comparable intersection dataset. Enhanced HERMES achieved an AUC-ROC of 0.9898 +/- 0.0013, an AUC-PR of 0.9412 +/- 0.0067, and an F1 score of 0.8449 +/- 0.0103. At a 5% false-alarm rate, it detected 95.7% of conflict sequences, outperforming the strongest Transformer baseline and XGBoost. In zero-shot external evaluation, HERMES achieved an AUC-ROC of 0.9752 and an AUC-PR of 0.7829. Joint source-target training further improved target-site performance with limited target-site data. These findings show that preserving heterogeneous interaction topology, safety-informed edge semantics, and short-term temporal evolution improves scene-level conflict classification and supports transferable roadside safety monitoring at signalized intersections.
Authors: Jingquan Chen, Jinghua Piao, Jie Feng, Shaogang Hu, Yong Li
Abstract: Large language models (LLMs) are increasingly used for program-aided reasoning, agentic decision making, and structured task execution, but these applications often incur high inference cost. We present MiniCache, a reusable program caching framework that transforms Program-of-Thought (PoT) programs into parameterized cache objects, enabling reusable computation across structurally similar requests. MiniCache reuses the same small model for semantic variable extraction on cache-hit requests and speculative drafting during target-LLM generation, reducing expensive target-LLM invocations while preserving task quality. Experiments on shopping-style request datasets, WebShop, Formula, and CodeTAT-QA demonstrate that MiniCache improves the trade-off between inference latency, cache reuse, and accuracy, achieving up to 3.1x lower latency and 2.8x higher throughput under parallel serving. These results show that small models are most effective not as replacements for large models, but as lightweight interface models that enable reliable and efficient reusable program caching.
Authors: Matthew ffrench-Constant, Daniel Yang, Xinmeng Huang, Sanyam Kapoor
Abstract: Large language models (LLMs) are increasingly deployed in settings where fluent but incorrect answers can be costly. In these settings, accuracy alone is insufficient: models must also know when they are likely to be wrong. We present ConfidenceBench, a calibration benchmark that evaluates verbalized confidence estimates in 15 frontier LLMs using the Brier score, a proper scoring rule that incentivises truthful probability reporting. Confidence is elicited via prompting, requiring no access to model logits and making the framework applicable to both closed-source and open-source systems. The benchmark comprises 200 private multiple-choice questions across four categories: spatial reasoning, high-precision mathematics, word lookup, and unknowable questions. Across three independent runs, Claude Opus 4.6 and Gemini 3.1 Pro Preview achieve the lowest Brier scores, both reported as 0.103. Both substantially outperform the calibrated-random baseline of 0.1875, while Gemini 3.1 Flash-Lite scores 0.367, indicating severe miscalibration. Accuracy and calibration diverge substantially across model families: the most accurate model is not the best-calibrated, and several models perform worse than the calibrated-random Brier baseline despite reasonable accuracy. These results show that verbalized confidence calibration is a distinct and practically important axis of LLM reliability, complementary to standard accuracy-based evaluation.
Authors: Junzhi Chen, Harsh Trivedi, Jane Pan, Michael JQ Zhang, Tejas Srinivasan, Niranjan Balasubramanian, Ashish Sabharwal
Abstract: Tool-use agents that address day-to-day digital tasks such as ordering groceries must not only operate applications, but also interact with the user, e.g., to ask clarification questions, prompt for confirmation, and inform the user when the instruction is infeasible. However, current benchmarks for evaluating agent-user interactions do not capture the diversity of such interactions. Further, they operate in small environments with few, often non-state-changing, APIs. To address this gap, we introduce AppWorld-UL, a ``user-in-the-loop'' benchmark of 516 challenging tasks requiring diverse agent-user interactions. Building upon the AppWorld framework with 9 popular simulated apps like Amazon and Spotify, we systematically modify original tasks to introduce ambiguities and constraints that necessitate various types of agent-user interaction. User behavior is simulated by an LLM prompted to respond with carefully designed knowledge boundaries, offering more reliable simulation than the unconstrained or overly rigid alternatives used in prior work. Our evaluation reveals that a state-of-the-art LLM, Claude Opus 4.7, achieves only 48.6% success on AppWorld-UL, and only 35.7% on the harder, compositional subset. On the stricter, scenario-level metric, compositional task performance drops to only 21.3%. Our analysis reveals that correct user-interaction is crucial for success. This demonstrates the benchmark's difficulty and its potential to advance research on user-in-the-loop tool-use agents.
Authors: Giambattista Amati, Federica Mangiatordi, Simone Angelini, Emiliano Pallotti, Pierpaolo Salvo
Abstract: Reliable and low-latency NR-V2X communications are essential for smart mobility in dense urban environments. However, limited Road-Side Unit (RSU) density, frequent non-line-of-sight conditions, and highly dynamic vehicular topologies often prevent many Connected and Automated Vehicles (CAVs) from maintaining stable single-hop connectivity. Although multi-hop relay-assisted communication can extend infrastructure coverage, selecting relay links in real time under practical flow, capacity, and connectivity constraints remains challenging. Mixed-Integer Linear Programming (MILP) yields optimal multi-hop relay decisions, but its computational complexity scales sharply with network density, limiting real-time applicability. To address this, we propose a Learning-to-Optimise (L2O) framework based on Graph Neural Networks (GNNs) for real-time NR-V2X relay selection. Vehicular communication states are modeled as attributed graphs, where CAVs and RSUs are nodes and candidate radio links are enriched with propagation-aware features. An offline MILP oracle provides optimal supervision, while an edge-aware Graph Isomorphism Network (GINE) approximates oracle decisions with near-constant inference latency. Experiments on large-scale urban datasets generated by an integrated SUMO--GEMV2 simulation pipeline show that the proposed approach achieves connectivity comparable to that of the MILP oracle while reducing execution time by orders of magnitude. The framework enables cost-effective enhancement of urban V2X connectivity by leveraging existing vehicular assets and supporting scalable, real-time NR-V2X operation in smart city environments.
Authors: Ashish Kumar Patra, Anurag K. S. V., Ruchika Bhat, Sai Shankar P., Rahul Maitra, Jaiganesh G
Abstract: Sample-based Quantum Diagonalization (SQD), an extension of Quantum Selected Configuration Interaction (QSCI), has emerged as a promising hybrid quantum-classical paradigm for computing molecular ground state energies. By leveraging quantum sampling instead of variational optimization, QSCI avoids barren plateaus and enables direct reconstruction of correlated electronic wavefunctions. However, existing configuration recovery techniques primarily enforce symmetry constraints without guaranteeing optimal selection of the most physically relevant configurations, often leading to unnecessarily large subspaces and increased classical diagonalization costs. In this work, we introduce a machine-learned compact subspace generation protocol based on Restricted Boltzmann Machines (RBMs), termed QSCI-RBM, and integrate it within the Density Matrix Embedding Theory (DMET) framework. The RBM is trained on quantum-sampled configurations to learn the underlying probability distribution of dominant determinants, enabling the targeted generation of high-probability configurations. We apply this framework to the simulation of a protein-ligand complex involving the inhibitor Carmofur bound to the SARS-CoV-2 main protease ($M^{\text{pro}}$). Our results demonstrate that DMET-QSCI-RBM achieves energies within the chemical accuracy threshold by accessing only approximately 4% of the configuration subspace. In contrast, standard DMET-SQD simulations failed to reach chemical accuracy while accessing up to 20% of the subspace, even as the chemical potential itself nearly converged. These findings highlight that RBM-assisted configuration generation produces significantly more compact subspaces while preserving physical accuracy, thereby reducing classical computational overhead and enabling the scalable quantum embedding simulation of complex biological systems.
Authors: Hang Ye, Xinyan Jiang, Yuedong Shi, Yangxin Zhu, Jianming Wei, Tian Zheng, Xiaoying Zheng, Yongxin Zhu
Abstract: Modern power systems increasingly require probabilistic forecasts amid interacting uncertainties from renewable intermittency, flexible demand, market volatility, and weather-dependent generation. However, existing methods often treat multi-scale decomposition, exogenous-variable alignment, and probabilistic output as separate steps, obscuring how predictable structures and uncertainty-bearing fluctuations jointly shape the forecast distribution. This paper proposes a state-space exogenous-context and temporal-frequency resolution architecture for general probabilistic energy forecasting. Its central premise is that trend-periodic components primarily determine the baseline trajectory, whereas high-frequency residuals and external perturbations govern the spread and asymmetry of forecast uncertainty. Accordingly, the architecture adaptively separates deterministic and residual streams, aligns exogenous context with both, refines the deterministic backbone through multi-resolution spectral-temporal state-space modeling, and estimates ordered quantile boundaries from their complementary representations. Experiments on load, price, solar, and wind forecasting achieve the best continuous ranked probability score in 14 of 18 settings, reducing average CRPS by 5.74\% and upper-tail quantile risk by 7.27\% over the strongest baselines. These results support deterministic-stochastic separation as an effective design principle for general probabilistic energy forecasting.
Authors: Kavya Ravichandran
Abstract: As humans, we face many decisions that require us to choose between sticking to something and giving up. This thesis uses algorithmic tools to derive insights about such decision-making problems in theoretical models, studying both near-optimal methods and outcomes of social and behavioral influences. Along the way, this thesis sheds light on what we gain and what we lose as we move from a messy and complex real world setting to a very general abstract model by studying various points along this spectrum. In Part I, we study algorithms for sequential decision-making in the improving multi-armed bandits problem. We provide nearly matching upper and lower bounds in the general case. Then, we then ask what is possible if we have access to similar instances to the one we wish to deploy our algorithm on. To that end, we provide guarantees in the data-driven algorithm design framework, showing that a polynomial number of samples is sufficient for learning good algorithms from a class of algorithms. In Part II, we study algorithmic approaches for problems in social epistemology. We start by analyzing what role theoretical models can play in the study of social problems. We then study social and behavioral influences in decision-making requiring investment. First, we provide mathematical formalism in which to study the formation of pessimism traps, a phenomenon identified by philosophers in which agents are influenced by their predecessors to engage in less-ambitious goals. We develop financial interventions to sustainably shift communities out of these traps. The second problem we study is the influence of grit as a behavioral trait in ambitious decision-making. Overall, these works seek to theoretically model phenomena in social epistemology and provide a framework for intervening algorithmically.
Authors: Heinrich Jiang, Jennifer Jang
Abstract: Computer aided design (CAD) is ubiquitous: virtually any modern object was designed using editable CAD tools. However, with the shortage of available CAD datasets in its native editable and parametric format, boundary representation (B-Rep), it is ever more important to develop data-efficient methods for this domain. We present a new self-supervised pretraining task, Masked Topology Modeling (MTM), that leverages the face-adjacency graph, an induced structure unique to B-reps that the encoder can be asked to reconstruct. MTM masks a fraction of edges and trains a small head to predict each masked edge's convexity and curve type from the encoder's post-message-passing face features. We combine MTM with a MoCo-style momentum-queue contrastive learning over B-rep-aware augmentations, a BFS-connected face-region masked-reconstruction objective, and pretraining on the ABC dataset and our new procedurally generated dataset to show strong performance on a number of benchmarks.
Authors: Joshua Harris
Abstract: We introduce Frontier Financial Judgement, a challenging new benchmark developed in collaboration with professional equity analysts to assess agents' ability to replicate expert human judgements. Rapidly identifying new information, evaluating its implications and determining its valuation impact is one of the most time-consuming and challenging aspects of real-world equity coverage. This is becoming ever more difficult and important as AI rapidly increases the quantity of new information to process. The strongest agent we evaluate on Frontier Financial Judgement matches all expert labels in only 52.4% of cases. We also find significant divergence in estimated false-positive rates among frontier agents, ranging from ~1% for GPT-5.6 Sol to ~32% for Claude Sonnet 4.6. To construct the benchmark and make it representative of real-world settings, we combine human-designed and labelled synthetic articles with live news articles and historical documents, creating 656 items for assessment. The resulting task requires agents to distinguish genuinely new, valuation-relevant financial information from stale, immaterial or misleading news under realistic conditions. We find substantial trade-offs among agent accuracy, cost, false positives and reliability that continue to hinder the reliable deployment of news-flow filtering in practice.
Authors: Haocheng Yin, Shuohan Tao, Yongsheng Chen, Lu Gan
Abstract: Predicting how deformable objects evolve under robotic manipulation is a longstanding challenge. Existing approaches typically rely on per-object optimization to fit material parameters, which can be slow and cannot generalize, while end-to-end learned alternatives extrapolate poorly and often violate basic physical structure. We present PhysCoRe, a physics-corrected residual world model that couples a differentiable Material Point Method (MPM) simulator with two feed-forward neural networks. A material refinement module, Material from Motion (MfM), infers per-particle elasticity from visual observations, grounding the simulator in object-specific physics. A residual correction module, Residual from Dynamics (RfD), learns the discrepancy and predicts corrections to the simulator's internal dynamics, absorbing systematic biases that the analytical model cannot capture. This design also supports online material identification on novel objects. MfM adapts from limited interactions, and its predictive uncertainty steers further exploration toward the regions where its estimate is least confident. Experiments on real deformable-object manipulation sequences show that PhysCoRe outperforms state-of-the-art baselines in prediction accuracy, and that its predicted confidence forms a reliable distribution across the object's geometry, providing a natural signal for future confidence-guided exploration.
Authors: Jack Beda, Djordje Mihajlovic, Kasturi Barkataki, Davide Michieletto
Abstract: Unique and rapid classification of knots and links is an open mathematical problem that is relevant to a range of (bio)physical systems, including polymer melts, DNA, and proteins. In this paper, we explore a data-driven approach to the classification problem of link topology. Extending the framework introduced in Ref. 1 (Sleiman et al, 2024 Soft Matter, 20(1), pp.71-78), we show that a feedforward neural network trained on the writhe density matrix classifies thermally equilibrated configurations of the first six prime links with 97% accuracy. We demonstrate that this accuracy remains high across a range of temperatures and lengths of link components, while rapidly deteriorating with the addition of topology-altering Gaussian noise; a result consistent with the writhe density matrix containing features sensitive to topology. Our results show that neural networks based on the writhe density matrix efficiently classify two-component links, establishing machine learning as a promising tool for rapid classification of more complex link topologies, e.g. Borromean rings and multi-component links, as the computational cost of exact numerical calculation of topological invariants becomes prohibitive.
Authors: Ali Al Housseini, Carlos Natalino, Paolo Monti, Omran Ayoub
Abstract: The robustness of machine learning techniques across heterogeneous network domains remains an open challenge in optical networks. Models trained on data from a specific topology or operational configuration often exhibit degraded performance when deployed in unseen networks. In this work, we address this challenge by proposing a representation learning technique aimed at capturing task-relevant relationships that remain stable across domains. The proposed technique is based on a novel joint contrastive and classification learning approach in which representation learning and task optimization are performed simultaneously, allowing both objectives to shape the latent space. Experimental results on a representative use case, namely, lightpath quality of transmission estimation, demonstrate the effectiveness of our approach compared to baseline approaches, and highlight its capacity for rapid adaptation, providing excellent performance even with limited fine-tuning.
Authors: Sadegh Majidi, Niloofar Mireshghallah, Kazem Taram
Abstract: This work presents LeakyLMs, a set of attacks that leak proprietary model, architecture, and deployment information from production language models. LeakyLMs is the first to demonstrate that key model and deployment details can be inferred using only token generation timing, even when interacting through remote APIs. LeakyLMs introduces two core attacks. The first attack targets inference optimizations and deployment strategies. For example, our attack detects whether a provider uses speculative decoding, a widely deployed inference-time optimization, and further identifies the context length of the draft model used in the pipeline. Our measurements show that Google Gemini Flash 2.5 uses speculative decoding with a draft context window of approximately 128K tokens. The second attack recovers key architectural properties, including the number of transformer layers, hidden dimension size, and number of attention heads. To achieve this, LeakyLMs builds a detailed and accurate model of token-generation timing on modern NVIDIA GPUs, characterizing how latency scales with model configuration and hardware parameters. The attack then performs a search over the architecture space using this timing model. In experiments with Llama models, the near-correct architectural configuration appears in the top-10 guesses more than 90% of the time.
Authors: Xian Su, Jun Li
Abstract: In large-scale machine learning, distributed training commonly involves multiple workers evaluating the gradients of the model on different dataset partitions. A common challenge is the presence of straggling workers, which may significantly slow down training. Traditional gradient coding (GC) addresses this by duplicating dataset partitions across workers, allowing for the replacement of missing gradients from stragglers. However, GC requires workers to evaluate gradients on multiple dataset partitions in each step, potentially increasing overall training time. In this paper, we propose to pipeline GC, such that gradient evaluation is segmented across multiple steps and each worker evaluates gradients on just a single dataset partition per step. We develop the pipelined version for fractional repetition (FR) and cyclic repetition (CR), two representative dataset placement schemes in GC, and prove convergence guarantees for both. Through extensive simulations and experiments on cloud infrastructure, our schemes not only significantly reduce training time but also accelerate convergence compared to GC and other baselines.
Authors: Miroslav Krupa, Miroslav Cibula, Krist\'ina Malinovsk\'a
Abstract: Trajectory planning is a fundamental problem in robotics, requiring the generation of collision-free and efficient trajectories in a potentially complex environment. While sampling-based planners remain the dominant approach, they are often computationally expensive, particularly in high-dimensional spaces and obstacle-rich environments. Methods based on model learning offer a promising alternative, enabling efficient planning through a bounded number of forward passes through a neural trajectory planner, but commonly suffer from low sample efficiency or limited generalisation due to their reliance on exploration or expert demonstrations. This follow-up work tests our neuro-inspired self-supervised learning framework for trajectory planning that leverages forward and inverse models as the internal supervisory mechanism in an environment that contains an obstacle. Experimental results demonstrate the feasibility of the approach while revealing a tendency of our planner to exploit the learning signal provided by the forward and inverse models. To address this issue, additional training regimes and mitigation strategies are proposed and evaluated.
Authors: Donghwan Kim
Abstract: Majority voting over LLMs is widely assumed to benefit from diversity, and diversity measures are used to choose which models to combine. We ask whether five such measures track diversity or mainly re-express capability, auditing them as predictors of majority-vote gain over the best member across 31,900 subsets of 30 LLMs on MMLU-Pro (29 on TruthfulQA) under explicit capability controls. Three findings emerge. First, latent complementarity is ubiquitous: oracle gain is positive in 100% of subsets, yet simple voting beats the strongest member in only 9.98% of all canonical size-3 subsets (18.71% with held-out best selection); the pooled size-2-4 rate is 1.27%, partly reflecting deterministic even-size voting behavior. Second, a joint-correctness proxy (strict diversity) is nearly collinear with one minus mean accuracy (size-3 Spearman rho = +0.991 / +0.988); raw diversity-gain associations are strongly capability-entangled and, with one exception, unstable under control. Third, three linear contingency-table statistics are algebraically non-separable; after capability control, the empirically stable remainder is a modest residual pairwise co-failure association in which more shared error corresponds to lower gain. This direction is robust, but its magnitude is configuration-dependent. Joint rawspace linear regressions treating strict diversity, disagreement, and double-fault as independent predictors are rank-deficient by construction.
Authors: Shlok Shah, Rhiaan Jhaveri, Tharun Kumar Tiruppali Kalidoss, Chirayu Nimonkar, Ishaan Javali
Abstract: We consider the problem of learning compositional robot policies end-to-end from expert demonstrations, without any pre-specified notion of task decomposition or hierarchy. We ask whether a VLA trained with a simplified Mixture-of-Experts (MoE) action head can emergently learn to decompose tasks into reusable, interpretable primitives. We find that learned experts are heavily reused across tasks and consistently correspond to qualitatively distinct low-level behaviors, suggesting that the router implicitly learns to perform high-level sequencing while experts serve as compositional primitives. Our MoE matches the task performance of a monolithic baseline while demonstrating meaningful expert specialization, a step toward modular, interpretable robot policies that emerge from data alone.
Authors: Liu Zai (University of Glasgow), Yumeng Wang (Leiden University), Junchen Fu (University of Glasgow), Joemon M. Jose (University of Glasgow)
Abstract: Activation steering enables control and interpretation of LLMs, yet existing work primarily models personality through static trait frameworks such as the Big Five. We investigate whether personality can instead be represented and controlled as a set of cognitive processes using the eight Jungian Cognitive Functions. To this end, we introduce a framework comprising a Jungian evaluation protocol and a dataset of over 2,100 role-playing character narrations. Activation steering vector extraction and evaluation experiments on Llama-3.1-8B demonstrate effective monotonic control over all eight cognitive functions through activation steering. Beyond controllability, our analysis reveals that: 1. personality information is concentrated in middle transformer layers; 2. steering vectors exhibit structured geometric relationships consistent with distinctions between rational and irrational functions; 3. effective multi-dimensional steering directions cannot be recovered as linear combinations of single-function directions. These findings provide new insights into the representation of personality in LLM activation space and establish a framework for studying interpretable, effective, and multi-dimensional personality control.
Authors: Wenyuan Wang, Yusong Zhao, Zihao Xu, Hengyi Wang, Qi Xu, Zhigang Hua, Yan Xie, Yi Wang, Zihao Zhao, Bo Long, Chengzhi Mao, Shuang Yang, Hengguan Huang, Hao Wang
Abstract: Modern recommender systems are typically based on deep learning (DL) models, where a dense encoder learns representations of users and items. As a result, these systems often suffer from the black-box nature and computational complexity of the underlying models, making it difficult to systematically enhance their recommendation capabilities. To address this problem, we propose Probabilistic Residual Learning (PRL), a causal Bayesian recommendation model that models the residual between ground-truth and base predictions, enabling targeted refinement of existing systems. Specifically, PRL (1) probabilistically groups users for localized residual modeling, (2) models domain-level confounders that influence user and item representations, and (3) aggregates cluster-specific residual predictions over the confounders using do-calculus. Experiments demonstrate that our plug-and-play PRL is compatible with various base deep learning recommender systems, improving their performance while automatically discovering meaningful user clusters.
Authors: Hyma Vallabhapurapu, Marco Candido, Krishna Choudhary, Paul Steinacker, Ensar Vahapoglu, Chris Escott, Wee Han Lim, Andre Saraiva, Nard Dumoulin Stuyck, MengKe Feng
Abstract: Scaling semiconductor quantum dot arrays toward fault-tolerant quantum computing requires efficient tuneup of spin qubits, a process that depends on the analysis of charge stability maps (CSMs) and remains largely manual. While machine learning has been widely applied to CSM analysis in reservoir-coupled devices, automated tuning in the increasingly important isolated-mode regime has received limited attention. In isolated-mode CSMs, charge transitions appear as near-vertical lines, making them well suited to compact, task-specific models. We present two convolutional neural networks with fewer than one million parameters, trained on CSMs collected from 32 silicon metal-oxide-semiconductor (SiMOS) double-quantum-dot devices measured at approximately 1 K using an automated cryogenic probing system. Sixteen devices were used for training and sixteen were held out to evaluate cross-device generalization against hand-labeled ground truth. CSMClassifier identifies charge instability and sensor artifacts, achieving 94% macro-averaged accuracy across three quality classes on 2,407 held-out images. ChargeLineNet localizes charge-transition lines and determines electron occupancy, achieving 95.3% exact line-count accuracy on 1,131 held-out images. Combined into a single pipeline, the models correctly determine electron occupancy for 93.8% of clean held-out images. Pre-training on synthetic images substantially improves label efficiency. Fine-tuning the pre-trained model on limited experimental data maintains over 90% accuracy, whereas training from scratch degrades significantly under the same conditions. Together, the two models occupy only 6.5 MB and process images in less than 60 ms on standard laboratory hardware, demonstrating a practical path toward scalable, automated characterization and tuneup of quantum-dot devices.
Authors: Liu Yang, Qiang Li, Zhuo Cao, Weijie Xiong, Guomin Sun, Jingran Lin
Abstract: Radio map (RM) estimation aims to reconstruct the spatial distribution of wireless signal characteristics, such as received signal strength (RSS), from sparse measurements, a task that is critical for spectrum management, interference mitigation, and localization in modern wireless networks. Traditional approaches, including interpolation and deep learning, either struggle to capture complex propagation effects or require large-scale retraining for each new sampling pattern, which limits their generalization. More recently, prior-based methods have combined pre-trained generative models with measurements to reduce the need for deployment-time model fine-tuning, but they typically treat the prior as a simple regularizer and lack explicit transmitter-aware integration. In this paper, we propose RadioTrace, a novel RM estimation framework without deployment-time fine-tuning that tightly integrates sparse RSS measurements with a frozen pre-trained diffusion prior. RadioTrace incorporates transmitter (Tx) location estimation directly into the denoising loop, iteratively refining Tx coordinates based on reconstruction quality to guide the generative process. To further enhance robustness, we introduce a propagation-guided K-means initialization that mitigates poor local minima in the Tx update and provides a geometry-consistent starting point. Moreover, we provide a stochastic stability analysis for the Tx-coordinate refinement component, showing that the Tx update remains stable under perturbations induced by diffusion sampling and Tx-map relaxation. Extensive experiments demonstrate that RadioTrace achieves competitive performance with state-of-the-art learning-based methods under random sampling, and maintains strong reconstruction quality under restricted-area sampling, highlighting its adaptability, robustness, and practical relevance.
Authors: Mousumi Kundu, Ashish Kumar Patra, Anurag K. S. V., Ruchika Bhat, Sai Shankar P., Alok Shukla, Jaiganesh G
Abstract: Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractical on Noisy Intermediate-Scale Quantum (NISQ) devices. We present an analytically grounded variational surrogate framework in which a shallow Variational Quantum Circuit (VQC) is trained to reproduce the QPE measurement distribution without any quantum circuit simulation. The training target is computed entirely classically via the Dirichlet kernel, evaluated directly from the Full Configuration Interaction (FCI) ground-state energy, the ancilla qubit count, and the time evolution parameter, eliminating the exponentially scaling simulation bottleneck of prior surrogate approaches. We apply this framework to the hydrogen molecule (H$_2$) with a symmetry-tapered Hamiltonian, conducting a four-stage experimental investigation on IBM Quantum hardware. Stage 1 compares linear and full entangler topologies for the $R_Y$-$R_Z$-$CZ$ ansatz, with and without XpXm Dynamical Decoupling (DD), across four distributional metrics (Hellinger distance, fidelity error, total variation distance, Jensen-Shannon divergence), identifying the linear entangler as optimal. Stage 2 varies VQC layers ($p=1$ to $5$) for the linear-entangler ansatz, identifying single-layer depth as optimal under hardware noise. Stage 3 applies this configuration to the reduced $R_Y$-$CZ$ ansatz, comparing ideal and noisy simulator-trained parameters. A supplementary noise analysis at $p \in \{8,64\}$ characterizes the depth-dependent interplay between circuit depth and DD effectiveness. The framework enables faithful QPE mimicry using a linearly scaling VQC, recovering the ground-state energy within the chemical accuracy threshold (1 kcal/mol), constituting a scalable, hardware-efficient paradigm for QPE-based molecular energy estimation on NISQ devices.
Authors: Nicol\'as Carrizosa, Vanesa Guerrero, Mar\'ia Durb\'an
Abstract: B-spline regression constitutes a widely used framework for nonparametric modeling. The performance of this methodology depends on specifying the number and placement of changepoints, known as knots, prior to the estimation process. Such knot sequence determines the dimension of the B-spline basis used to represent the regression function and the number of coefficients to be estimated. Therefore, the knots' choice affects the model's flexibility, influencing its smoothness and goodness-of-fit. Traditionally, this problem has been addressed either by explicitly selecting knots, via knot-selection algorithms, or by regularization methods, such as P-splines, which automatically tune the regressor's smoothness. The latter have become the standard in generalized additive models (GAMs). In contrast, knot-selection techniques, frequently neglected because of computational or modeling limitations, provide certain advantages which can be valuable in some contexts. In this work, we introduce a novel explicit knot-selection technique for GAMs based on an extension of the adaptive splines (A-splines) knot selection methodology, combined with a customized Fellner-Schall scheme for tuning the associated parameters. Our approach is evaluated on various synthetic and real datasets and compared with P-splines and state-of-the-art knot-selection techniques. The results indicate comparable performance, while producing models built on a substantially smaller number of basis elements.
Authors: Marco Mordacci, Michele Amoretti
Abstract: In this work, a quantum architecture search framework for approximate quantum state preparation (QSP) is proposed. QSP is a challenging task, since the search space grows exponentially with the number of qubits, making the identification of the optimal circuit non-trivial. To address this problem, deep reinforcement learning is employed through an agent based on proximal policy optimization. The objective of the agent is to identify the best possible approximation of the target state while simultaneously minimizing the number of gates used. At each step, the agent appends a new gate to the circuit and recomputes the fidelity between the approximated state and the target states. Various experiments have been performed from 2 to 5 qubits. Both predefined states, such as Bell, GHZ, W, and Dicke states, and completely random states are considered. The proposed framework is able to achieve approximation errors of $10^{-14}$.
Authors: Hakan Calim, Anamaria Dumitrescu, Adarsh Bhandary Panambur, Huzaifa Asif, Andreas Maier
Abstract: Independent sidewalk mobility is essential for blind and visually impaired pedestrians (BVIPs), yet smartphone-based assistive navigation requires perception models that distinguish walkable sidewalks from adjacent unsafe regions. This study presents a safety-oriented semantic segmentation framework for future mobile guidance. We introduce SENSATION-DS, a chest-height pedestrian-view dataset with 2,752 image-mask pairs and nine-class navigation-relevant taxonomy. External urban and sidewalk datasets were harmonized to this label space, and five segmentation architectures were evaluated using staged target-domain adaptation with mask-conditioned synthetic images and Segment Anything Model 2 (SAM2) pseudo-labels. Models were assessed using mean Intersection over Union (mIoU), road- and sidewalk-specific metrics, Road-as-Sidewalk Error Rate as a proxy false-safe measure, and Android Open Neural Network Exchange benchmarking. Synthetic augmentation generally improved segmentation accuracy, whereas SAM2 pseudo-labels more consistently reduced Road-as-Sidewalk errors. UPerNet-MobileNetV3 achieved the highest offline mIoU (0.715 +/- 0.006), while DeepLabV3Plus-MobileNetV3 achieved the lowest Road-as-Sidewalk Error Rate (0.079) and highest Android runtime at 512x384 (7.383 FPS). These results show that assistive sidewalk perception should be evaluated jointly by segmentation accuracy, proxy false-safe behavior, and smartphone deployment feasibility, while real-world benefit requires validation with BVIP users. This evaluation supports selecting models that balance accurate perception, conservative error behavior, and practical runtime.
Authors: Enrico Santi (University of Udine, DMIF), Alessandro Dal Pal\`u (University of Parma, SMFI), Agostino Dovier (University of Udine, DMIF), Talissa Dreossi (University of Udine, DMIF), Andrea Formisano (University of Udine, DMIF)
Abstract: Inductive Logic Programming (ILP) originated within the Logic Programming community in the Nineties as a framework for combining symbolic learning with declarative knowledge representation. Nowadays, mature ILP frameworks exist and they are capable of learning complex, non-monotonic hypotheses, thus broadening both the modeling capabilities and the scope of real-world applications of ILP. This work is primarily based on the FastLAS2 framework and aims to generate simple, interpretable hypotheses to help clarify the weather bulletins issued by OSMER FVG, the Regional Meteorological Observatory of the Italian region of Friuli Venezia-Giulia. In this paper we present a pipeline that, starting from simulated meteorological raw data and from OSMERs' bulletins (used as ground truth), extracts data as ASP facts and generates ILP examples. From such examples an explanatory hypothesis is then inferred via FastLAS2. Such a hypothesis (translated into natural language) explains the weather forecast issued by human experts, and in particular the rationale behind experts' choices of specific symbols in the bulletin pictogram (the symbol-annotated meteorological map of the forecast). The proposed approach is general, not specific to any particular region and it can equally be applied to bulletins from other sources and to different regions.
Authors: Ferdinand Bhavsar (INRAE), Lionel Benoit (INRAE), Maxime Savatier (ANDRA), Edith Gabriel (INRAE)
Abstract: The modeling of hydrometeorological time series with limited observations is a key challenge in the monitoring of hydro-systems and water resources, as well as for flood or drought risk assessment. Due to the high variability of the underlying processes and the sparsity of available measurements, traditional statistical approaches often struggle to accurately represent their dynamics. In this context, recent advances in deep learning offer a promising direction for improving the representation and generation of complex temporal processes sampled at several observation sites. This study investigates the application of transformer-based diffusion models to the simulation and reconstruction of hydrological time series. The proposed framework is applied to the joint modeling of water quantity and quality at six sites spread across three adjacent headwater catchments located in North-East France on a limestone plateau covered by forests and field crops. The model is calibrated and validated using available observational data, which has been quality controlled and corrected for sensor drift and malfunction through collaborative efforts by LNE metrology expertise and Andra monthly quality control over more than 15 years. Its performance is compared with several established baseline approaches commonly used for time series modeling. Quantitative evaluation metrics are employed to assess the ability of the proposed method to reproduce key temporal characteristics of the observed signals in two settings: the imputation of incomplete time series and the forecasting of upcoming hydrological conditions. Results support the effectiveness of the transformer-based approach and highlight its capacity to capture and simulate the complex patterns present in hydrological data. In particular, the results indicate that diffusion models can efficiently sample realistic time series distributions under observation settings with variable missing data for both forecasting and imputation.
Authors: Miko{\l}aj Jastrz\k{e}bski, Wojciech Koz{\l}owski, Kamil Adamczewski
Abstract: Archival film restoration is a challenging problem because historical footage contains compound degradations such as scratches, dust, blur, noise, flicker, and photometric aging, while clean reference videos are unavailable. Existing video restoration methods largely treat these degradations implicitly, reconstructing frames without explicit knowledge of where damage occurs or how severe it is. We propose DART, a degradation-aware recurrent transformer for archival film restoration. DART predicts and propagates a soft defect mask through time, using it to guide temporal fusion and condition the restoration network on both damage location and severity. This makes the restoration process explicitly aware of film artifacts rather than relying only on reconstruction losses. Experiments on real archival benchmarks show that DART improves no-reference perceptual quality over prior restoration architectures while remaining compact and efficient, producing cleaner and more temporally consistent restorations of structured film damage.
Authors: Yidu Wu, Xiang Wang, Kejie Zhao, Zhangchi Wang, Qinghai Guo, Xiaoying Tang
Abstract: Large language models (LLMs) achieve strong generation and reasoning performance, but the Transformer architecture incurs high inference cost. Existing acceleration methods often rely on task-specific fine-tuning or training from scratch, increasing adaptation cost and limiting cross-task usability. We present an Adaptive Depth Sparse Framework (AdaDSF) that converts off-the-shelf pre-trained LLMs into depth-sparse models without full retraining. Our key insight is that layers contribute unequally to representation transformation, characterized by the cosine similarity between layer input and output hidden states. Based on this, AdaDSF assigns layer-wise token retention ratios from similarity statistics, uses a lightweight router to select informative tokens at each layer, and introduces a feature-preserving alignment objective to match intermediate and final representations between sparse and dense models. On GPT-NeoX and Qwen2.5 over language modeling and commonsense reasoning, AdaDSF substantially reduces inference FLOPs while preserving performance close to dense counterparts. Under comparable sparsity, AdaDSF consistently yields smaller accuracy degradation than strong baselines including MoD, D-LLM, and DLO.
Authors: Marie Kempkes, Elies Gil-Fuster, Carlos Bravo-Prieto, Aroosa Ijaz, Alissa Wilms, Jens Eisert, Evert van Nieuwenburg, Vedran Dunjko
Abstract: A central challenge in quantum machine learning is understanding the scaling behavior of parameterized quantum circuits (PQCs). In particular, it remains unclear how their performance on unseen data changes as the number of trainable parameters increases. Prior works have derived formal generalization guarantees for quantum models, but it is well-known that many such results do not fully characterize generalization behavior in practice. In this work, we show that gradient-based PQCs can exhibit improved performance on unseen data as model size increases, displaying the phenomenon of double descent. This contrasts with the traditional view that larger models lead to degraded generalization. We provide analytical results rigorously underpinning this behavior by leveraging add-one-in perturbation techniques and spectral properties of random matrices. We support these results with numerical experiments on re-uploading PQCs across several data sets and training set sizes, consistently observing the predicted double descent behavior. While other obstacles on the path toward practical quantum machine learning remain, our finding that deeper parameterized quantum circuits do not necessarily exhibit degraded performance provides reasons for cautious optimism.
Authors: Renuka Oladri, Niveda Jawahar, Abdirisak Mohamed
Abstract: Chain-of-thought reasoning models such as DeepSeek-R1-Distill-Qwen-7B exhibit a bimodal convergence pattern: generations either terminate within a token budget (converged) or exhaust it without reaching a conclusion (non-converged). We characterize this phenomenon empirically, showing that converged generations achieve 90.3% accuracy on AIME 1983-2024 while non-converged ones achieve only 6.6%, with an overall convergence rate of 62.0%. We then ask whether this outcome is detectable early in the thinking chain using internal model representations. Training linear probes on hidden-state activations at token positions 50-300, we find that layer-20 activations at token 150 achieve AUC 0.608 (+-0.080, 5-fold CV), reliably above chance even at token 50. Activation probes consistently outperform behavioral baselines derived from token entropy and repetition statistics. A sweep-level permutation test yields p=0.063 (100,000 permutations), consistent with a modest signal that our sample size cannot confirm at conventional thresholds. These findings suggest that convergence fate is partially encoded in intermediate representations well before the generation ends, opening a path toward early-exit inference and adaptive compute allocation.
Authors: Cande Lian (School of Management, Foshan University, Foshan, China), Wentao Zeng (School of Management, Foshan University, Foshan, China), Jiabin Wu (School of Management, Foshan University, Foshan, China), Yiming Bie (School of Transportation, Jilin University, Changchun, China), Wei Zhou (Department of Civil and Environmental Engineering, National University of Singapore)
Abstract: Reliable electric vehicle (EV) charging infrastructure is a cornerstone of sustainable, low-carbon cities, yet urban climate stress such as extreme heat, heavy precipitation, and humidity increasingly raises equipment fault risk and undermines the resilience of urban energy and mobility services. Shifting operation from reactive repair to preventive maintenance depends on accurate, forward-looking fault-risk prediction, a task complicated by the heterogeneous time scales of physical, behavioral, contextual, and historical signals and by forecasting over a multi-week horizon. We develop FGDSE, a feature-governed dynamic stacking ensemble that forms an interpretable decision-support system for climate-resilient charging-asset management. It partitions heterogeneous signals into four feature families, assigns each to a domain expert whose inductive bias matches the data, and adds two deep temporal experts for short-term pulses and long-term degradation; a horizon-wise gating mechanism then learns adaptive weights to forecast daily fault risk over 1 to 30 days. SHAP attribution and an X-learner extend the probabilistic output into causal decision support with post-level treatment effects. On 25 months of data from 13 stations, FGDSE surpasses twelve baselines beyond the ten-day horizon, sustains about 85% macro-recall at 30 days with an AUC decay of only 3.2 points, and reveals a shift of dominance from fault history toward climate stress. It identifies extreme heat as the sole exposure whose causal effect amplifies over time, flagging roughly 30% of posts as heat-sensitive and yielding quantitative thresholds for climate-adaptive maintenance that strengthens urban mobility resilience and sustains low-carbon travel.
Authors: Piotr Wilam
Abstract: Do independently trained language models come to represent the same thing in the same way? We answer for code, extending a recently introduced concept-circuit extraction method to a 2x2 design -- Python and Rust crossed with Qwen2.5-Coder-7B and DeepSeek-Coder-V1-6.7B -- and measuring a complete inventory of grammatical concepts (58 Python, 57 Rust) identically in all four cells: the smallest design that separates what depends on the task, the language, and the model. The answer splits into three parts. What earns dedicated circuitry is set by the task: the models agree on which concepts receive circuits (Spearman $\rho$ = 0.638 for Python, 0.673 for Rust, both p < $10^{-7}$). Where those circuits sit is set by the model: Qwen processes concepts in a late band (~L17-19), DeepSeek at L6-7, for both languages. How circuits grow across layers is also set by the model: Qwen gives its atomic concepts an early spike that DeepSeek does not. "Are circuits universal?" thus has no single answer: yes for What, no for Where and How -- universality is a property of representational content, not of computational organisation. None of this structure was fixed in advance. The agreement could have landed anywhere between independence and identity; it lands at $\rho \approx 0.65$. Rust constructs receive 2-3x more concept-specific circuitry than their Python equivalents, in both models. Both models share neurons between the languages (6/7 and 7/7 paired constructs), DeepSeek 1.94x more than Qwen -- a direction no prior result predicts. And Qwen binds nine keywords of Rust's type-and-trait machinery into one tight neuron cluster (Jaccard 0.535 vs null 0.112, p < 0.001), a semantic dimension invisible in surface syntax. Ablation and linear probes confirm the circuits are functional. All claims are scoped to this 2x2; whether the per-model profile predicts a third model is the designed next test.
Authors: Yingchao Huang, Xin Wang, Yuhan Su, Shanshan Yao
Abstract: Cognitive impairment (CI) is a growing public health concern. Early and accurate diagnosis is critical for enabling timely intervention and improving patient outcomes. Speech-based CI detection has emerged as a promising non-invasive approach, as speech signals encode both linguistic and acoustic markers associated with cognitive decline. Recent advances in large language models (LLMs) further strengthen the potential of speech-based assessment by enabling more expressive representation learning and improved generalization across diverse speakers, recording devices, and clinical environments. Moreover, multimodal learning by jointly modeling linguistic and acoustic features allows for a more comprehensive characterization of cognitive and behavioral changes related to CI, leading to more reliable detection. In this work, we propose a multimodal CI detection framework based on open-source LLMs that integrates speech audio and corresponding transcripts while preserving patient privacy. Acoustic embeddings are extracted directly from speech signals, while textual embeddings are generated from automatically transcribed speech. These modality-specific embeddings are then concatenated to create a combined feature vector and used for downstream classification, without requiring access to raw or sensitive patient data. The proposed approach is evaluated on the ADReSS20 and ADReSSo21 benchmark datasets. Experimental results show that the proposed multimodal framework achieves an CI classification accuracy of 92.4% and consistently outperforms single-modality baselines. Our work establishes a new state-of-the-art for CI identification, with the proposed method demonstrating superior cross-dataset generalization. This advance highlights the power of an LLM-based multimodal framework that fuses linguistic and acoustic data to enable robust, scalable, and non-invasive screening.
Authors: Fares Fourati, Hinrich Sch\"utze, Eyke H\"ullermeier, Iryna Gurevych
Abstract: The rapid progress of AI has intensified the long-standing pursuit of automation: replacing human participation with algorithms wherever possible. Implicit in this pursuit is the assumption that humans remain in the loop only because current AI systems are not yet sufficiently capable. This paper challenges that assumption. Rather than asking how far automation can extend, we ask where its conceptual limits lie and argue that human participation may persist even with highly capable AI systems for three distinct reasons. Technical or complementarity grounds arise when humans contribute capabilities or perspectives unavailable to AI. Normative or developmental grounds arise when participation itself is valuable for human agency or learning. Most importantly, emergence grounds arise from target emergence: in some activities, the target is not fully specified in advance but instead emerges through the interaction itself. In these cases, human participation is not merely a means of improving execution but is constitutive of the target being produced. Human--AI co-construction, understood as the joint production of outcomes by humans and AI systems, is therefore not simply a temporary response to imperfect AI, but a persistent feature of activities whose objectives emerge through participation. This perspective has important implications for the limits of automation and for the design, evaluation, and ethics of future AI systems.
Authors: Rodrigo Carmo Terin
Abstract: The coupled ghost and gluon Dyson--Schwinger equations (DSEs) of four-dimensional Landau-gauge Yang--Mills (YM) theory are solved with a neural representation trained only from renormalized equation residuals. The neural and fixed-point solutions agree at the percent level and remain stable under changes of initialization, network size, integration grid, and infrared boundary condition. Variations of the three-gluon vertex model produce substantially larger effects than the neural error. The MiniMOM ultraviolet running and the sign change of the gluon Schwinger function are also reproduced within the limitations of the truncation.
Authors: Wen Ye, Yuxiao Qu, Aviral Kumar, Xuezhe Ma
Abstract: Unlike large language models (LLMs) that exhibit strong reasoning capabilities, vision-language models (VLMs) struggle with visual reasoning, even on geometry problems that admit equivalent text, diagram, and combined diagram+text views. We show that these views often elicit different behaviors: a model may solve a problem from text but fail on the corresponding diagram, or succeed visually while failing textually. This inconsistency suggests that different views expose complementary reasoning paths and failure modes that standard multimodal post-training does not fully exploit. To study and exploit this phenomenon, we construct ODA-Data, a high-quality paired multimodal geometry dataset with text-dominant, image-dominant, and combined image+text views of the same problems, together with splits for training and evaluating modality-dependent reasoning behaviors. We then develop Modality-Informed Reciprocal Reasoning Optimization (MIRROR), a reinforcement learning approach for improving multimodal reasoning via self supervision. For each problem, MIRROR evaluates the model under all views, selects the best-performing view as a teacher, and trains other views with a reverse-KL objective towards the teacher. Across reasoning benchmarks that evaluate on geometry problems, MIRROR improves over standard RL and yields more accurate and consistent behavior across modalities
Authors: Korota Ars\`ene Coulibaly, Mohamed Hamlich, Khalid Hmali, Andrea Trombin
Abstract: Quality control in printing, particularly in rotogravure printing, still depends on slow, costly, and subjective manual inspection. Automated surface defect detection is critical for maintaining high-quality standards in rotogravure printing. Deep learning models give prospects for automation. However, training robust deep learning models, such as YOLO or Vision Transformers, is heavily hindered by the extreme scarcity of real-world industrial defects images. To overcome this limitation, this paper introduces a novel synthetic data generation framework tailored for rotogravure printing quality control. The proposed pipeline automatically generates high-fidelity images of specific printing defects (creases, streaks, misregistration, etc.) and outputs corresponding bounding boxes and annotations. To validate the framework, a synthetic dataset of 7533 images was generated and used to train the state-of-the-art object-detection model RFDETR. Experimental results demonstrate that the model trained on our synthetic data achieves a Mean Average Precision (mAP) of 80.9\% on real industrial testing samples. This framework provides a zero-cost, rapid-deployment solution for automating defect inspection in printing lines without requiring massive manual data collection.
Authors: Dawei Li, Xiaotian Jiang, Mingyi Hong
Abstract: Barzilai--Borwein (BB) method has shown strong practical performance in continuous optimization, yet its convergence dynamics remains poorly understood. In particular, a central unresolved question is whether BB converges superlinearly for almost every strictly convex quadratic problem and initialization. We provide a negative answer to this question. Specifically, for every finite dimension $n\geq4$, we construct a nonempty open, hence positive-Lebesgue-measure, family of strictly convex quadratic problems and initial points for which the long Barzilai--Borwein method (BB1) converges but cannot converge root-superlinearly. More precisely, with the explicit constants $\rho_{\min}=10^{-6},\rho_{\max}=0.61$, every spectral component of the gradient is bounded above and below by the corresponding geometric sequence. Consequently, the gradient norm and the energy norm of the error satisfy two-sided geometric estimates with the same rates, while the objective gap satisfies the corresponding estimates with squared rates. In particular, all three quantities are bounded below by geometric sequences, ruling out superlinear convergence. The construction is highly nontrivial, based on a computer-assisted proof of a nonresonant, attracting seven-cycle of the projectivized BB dynamics in dimension four.
Authors: Wenhao Li, Xueying Jiang, Quanhao Qian, Deli Zhao, Ran Xu, Shijian Lu, Gongjie Zhang
Abstract: Despite rapid progress, most existing vision-language models (VLMs) built from 2D visual inputs often struggle when handling various 3D tasks that require fine-grained spatial understanding and reasoning. To bridge this gap, we present VLM-IE3D, a unified framework that enhances the 3D spatial awareness of VLMs by equipping them with both implicit and explicit 3D geometries learned from RGB videos. Our VLM-IE3D introduces Implicit Geometry Tokens (IGTs) that capture high-level geometric priors from input videos, as well as complementary Explicit Geometry Tokens (EGTs) that encode detailed geometric structures from reconstructed 3D attributes. On top of that, VLM-IE3D comes with a 3D-aware adapter that effectively fuses the two types of geometric representations with 2D visual cues. This RGB-only design injects strong 3D inductive biases for fine-grained spatial understanding and reasoning without requiring any additional 3D inputs. Extensive experiments show that VLM-IE3D achieves superior performance consistently across various 3D tasks including 3D video detection, 3D visual grounding, 3D dense captioning, and spatial reasoning. Code and models are available at https://github.com/Vegetebird/VLM-IE3D.
Authors: Mahindra Rautela, Alan Williams, Alexander Scheinker
Abstract: Complex dynamical systems, such as particle accelerators, often require intricate and time-consuming tuning procedures to achieve optimal performance. In many cases, these procedures must also estimate the optimal system parameters governing the dynamics of a spatiotemporal beam, making the task a high-dimensional optimization problem. To address this, we propose a Classifier-pruned Bayesian Optimization-based Latent space Tuner (CBOL-Tuner), a framework for efficient exploration within a temporally-structured latent manifold of 6D beam phase space. The CBOL-Tuner integrates a conditional variational autoencoder for latent space representation, a long short-term memory network for temporal dynamics, a lightweight neural network for parameter estimation, and a classifier-pruned Bayesian optimizer to adaptively search and filter the latent space for optimal solutions.
Authors: Kisung You
Abstract: Cosine similarity is a standard comparison rule for learned representations in information retrieval, natural language processing, computer vision, and multimodal learning. Its popularity is well founded: it removes positive radial scale, is computationally convenient, and often matches objectives that train normalized embeddings. These same properties also delimit what cosine can express. Normalization discards radial variation; anisotropic representations can compress angular contrast; high-dimensional neighborhoods can develop hubs; and a symmetric, uncalibrated score may be mismatched to the relation of interest. This article offers a selective review organized around a simple principle: the usefulness of cosine similarity depends jointly on the learned representation, any normalization or post-processing, the scoring rule, and the downstream decision. We derive the main geometric identities, distinguish failure mechanisms that are often conflated, review representative evidence about embedding norms, and describe objective-matched, geometry-aware, hubness-aware, norm-aware, and learned alternatives. The central conclusion is conditional rather than adversarial: cosine's positive-scale invariance is justified when radial variation is nuisance or fixed by the representation contract, but its angular geometry and downstream decision must still be validated.
Authors: Zehua Pei, Ying Zhang, Hui-Ling Zhen, Tao Yuan, Xianzhi Yu, Zhenhua Dong, Sinno Jialin Pan, Mingxuan Yuan, Bei Yu
Abstract: Mixture-of-Experts (MoE) models offer dynamic computation, but are typically deployed as static full-capacity models, missing opportunities for deployment-specific specialization. We introduce PreMoE, a training-free framework that proactively compiles sparse MoE variants for targeted deployment scenarios. At its core is Predicted Expert Utility (PEU), a robust metric for estimating expert importance from router logits through high-confidence threshold filtering and logit transformation, which together stabilize utility estimation under aggressive sparsity. Using PEU scores computed on a small calibration set, PreMoE produces domain-aware expert rankings that can be used to compile either domain-specific specialists or high-efficiency multi-domain generalists, without any retraining. Across MoE models ranging from 30B to 718B parameters, PreMoE achieves up to 50\% sparsity with nearly no performance loss. It further exposes a practical deployment trade-off: specialists maximize in-domain efficiency, while synthesized generalists retain broader cross-domain capability at the same sparsity budget. Code: https://github.com/JarvisPei/PreMoE
Authors: Hongzheng Yang, Yongqiang Chen, Zeyu Qin, Tongliang Liu, Chaowei Xiao, Kun Zhang, Bo Han
Abstract: Representation intervention aims to localize and modify the representations that encode the underlying concepts in large language models (LLMs) to elicit the aligned and expected behaviors. Despite the empirical success, it has never been examined whether one could localize the faithful concepts for intervention. In this work, we explore the question in safety alignment. If the interventions are faithful, the intervened LLMs should erase the harmful concepts and be robust to both in-distribution adversarial prompts and the out-of-distribution (OOD) jailbreaks. While it is feasible to erase harmful concepts without degrading the benign utility of LLMs in linear settings, we show that it is infeasible in the general non-linear setting. To tackle the issue, we propose COncept ConcentrAtion (COCA). COCA refactors the training data with an explicit reasoning process, which first identifies the potential unsafe concepts and then decides the responses. Essentially, COCA simplifies the decision boundary between harmful and benign representations, enabling more effective linear erasure. Extensive experiments with multiple representation intervention methods and model architectures demonstrate that COCA significantly reduces both in-distribution and OOD jailbreak success rates, and meanwhile maintaining strong performance on regular tasks such as math and code generation. Our code is publicly available at: https://github.com/tmlr-group/COCA .
Authors: Janik Kreit, Dominic Schuh, Kim A. Nicoli, Lena Funcke
Abstract: Deep generative models have recently garnered significant attention across various fields, from physics to chemistry, where sampling from unnormalized Boltzmann-like distributions represents a fundamental challenge. In particular, autoregressive models and normalizing flows have become prominent due to their appealing ability to yield closed-form probability densities. Moreover, it is well-established that incorporating prior knowledge - such as symmetries - into deep neural networks can substantially improve training performances. In this context, recent advances have focused on developing symmetry-equivariant generative models, achieving remarkable results. Building upon these foundations, this paper introduces Symmetry-Enforcing Stochastic Modulation (SESaMo). Similar to equivariant normalizing flows, SESaMo enables the incorporation of inductive biases (e.g., symmetries) into normalizing flows through a novel technique called stochastic modulation. This approach enhances the flexibility of the generative model, allowing to effectively learn a variety of exact and broken symmetries. Our numerical experiments benchmark SESaMo in different scenarios, including an 8-Gaussian mixture model and physically relevant field theories, such as the $\phi^4$ theory and the Hubbard model.
Authors: Alessandro Licciardi, Roberta Raineri, Anton Proskurnikov, Lamberto Rondoni, Lorenzo Zino
Abstract: Federated Learning (FL) enables privacy-preserving collaborative model training, but its effectiveness is often limited by client data heterogeneity. We introduce a client-selection algorithm that (i) dynamically forms nonoverlapping coalitions of clients based on asymptotic agreement and (ii) selects one representative from each coalition to minimize the variance of model updates. Our approach is inspired by social-network modeling, leveraging homophily-based proximity matrices for spectral clustering and techniques for identifying the most informative individuals to estimate a group's aggregate opinion. We provide theoretical convergence guarantees for the algorithm under mild, standard FL assumptions. Finally, we validate our approach by benchmarking it against three strong heterogeneity-aware baselines; the results show higher accuracy and faster convergence, indicating that the framework is both theoretically grounded and effective in practice.
Authors: Amir Sarfi, Benjamin Th\'erien, Joel Lidin, Eugene Belilovsky
Abstract: Communication-efficient distributed training algorithms (e.g., DiLoCo) have received considerable interest due to their benefits for training large language models (LLMs) in bandwidth-constrained settings, such as across datacenters and over the internet. While these local-update methods achieve communication reduction through reduced synchronization, they still require communicating dense model-sized pseudo-gradients, resulting in a communication bottleneck even for cross-datacenter links. While quantization is often applied to reduce the pseudo-gradient's size, in the context of LLM pre-training, existing approaches have not been able to leverage sparsification without incurring significant performance degradation. In this work, we introduce SparseLoCo, a communication-efficient training algorithm for LLMs that can effectively leverage Top-k sparsification and 2-bit quantization to reach extreme sparsity in the communicated pseudo-gradient, as high as 97-99%, while achieving lower final loss than dense DiLoCo. In our empirical study of language model pre-training, we demonstrate that SparseLoCo's improvements over DiLoCo in performance and pseudo-gradient compression are maintained across dense model scales (178M-2B), an MoE transformer (645M-A273M), increasing the number of workers, and increasing communication intervals.
Authors: Yuki Ichihara, Yuu Jinnai, Tetsuro Morimura, Mitsuki Sakamoto, Ryota Mitsuhashi, Eiji Uchibe
Abstract: Group Relative Policy Optimization (GRPO) has been shown to be an effective algorithm when an accurate reward model is available. However, such a highly reliable reward model is not available in many real-world tasks. In this paper, we particularly focus on multi-objective settings, in which we identify that GRPO is vulnerable to reward hacking, optimizing only one of the objectives at the cost of the others. To address this issue, we propose MO-GRPO, an extension of GRPO with a simple normalization method to reweight the reward functions automatically according to the variances of their values. We first show analytically that MO-GRPO ensures that all reward functions contribute evenly to the loss function while preserving the order of preferences, eliminating the need for manual tuning of the reward functions' scales. Then, we evaluate MO-GRPO experimentally in four domains: (i) the multi-armed bandits problem, (ii) simulated control task (Mo-Gymnasium), (iii) machine translation tasks on the WMT benchmark (En-Ja, En-Zh), and (iv) instruction following task. MO-GRPO achieves stable learning by evenly distributing correlations among the components of rewards, outperforming GRPO, showing MO-GRPO to be a promising algorithm for multi-objective reinforcement learning problems.
Authors: Anthony Zhan
Abstract: Diffusion large language models (dLLMs) represent a promising alternative to autoregressive LLMs; however, the lack of effective post-training techniques, including reinforcement learning (RL), remains a key challenge for dLLMs, especially for downstream applications. Existing approaches often rely on a sequence-level view that requires biased likelihood approximations. In this work, we propose Amortized Group Relative Policy Optimization (AGRPO), a policy gradient algorithm that leverages the Markovian nature of dLLMs, optimizing individual denoising steps rather than full sequences. Our approach improves alignment between the trained policy and the inference process and also admits efficient, unbiased gradient updates via a novel timestep estimation scheme. We demonstrate AGRPO's effectiveness on different math and reasoning tasks, achieving absolute accuracy gains of +59.4\% and +69.7\% on Countdown and Sudoku over the base LLaDA model, exceeding comparable methods such as diffu-GRPO. Code is available at https://github.com/probablyabot/agrpo.
Authors: Yizuo Chen, Adnan Darwiche
Abstract: The classical notion of causal effect identifiability is defined in terms of treatment and outcome variables. In this paper, we consider the identifiability of state-based causal effects: how an intervention on a particular state of treatment variables affects a particular state of outcome variables. We demonstrate that state-based causal effects may be identifiable even when variable-based causal effects may not. Moreover, we show that this separation occurs only when additional knowledge -- such as context-specific independencies -- is available. We further examine knowledge that constrains the states of variables, and show that such knowledge can improve both variable-based and state-based identifiability when combined with other knowledge such as context-specific independencies. We finally propose an approach for identifying causal effects under these additional constraints, and conduct empirical studies to further illustrate the separations between the two levels of identifiability.
Authors: Victory Obieke, Emmanuel Oguadimma
Abstract: Physics-Informed Neural Networks (PINNs) offer a flexible framework for solving nonlinear partial differential equations (PDEs), yet conventional implementations often fail to preserve key physical invariants during long-term integration. This paper introduces a \emph{structure-preserving PINN} framework for the nonlinear Korteweg--de Vries (KdV) equation, a prototypical model for nonlinear and dispersive wave propagation. The proposed method embeds the conservation of mass and Hamiltonian energy directly into the loss function, ensuring physically consistent and energy-stable evolution throughout training and prediction. Unlike standard \texttt{tanh}-based PINNs~\cite{raissi2019pinn,wang2022modifiedpinn}, our approach employs sinusoidal activation functions that enhance spectral expressiveness and accurately capture the oscillatory and dispersive nature of KdV solitons. Through representative case studies -- including single-soliton propagation (shape-preserving translation), two-soliton interaction (elastic collision with phase shift), and cosine-pulse initialization (nonlinear dispersive breakup) -- the model successfully reproduces hallmark behaviors of KdV dynamics while maintaining conserved invariants. Ablation studies demonstrate that combining invariant-constrained optimization with sinusoidal feature mappings accelerates convergence, improves long-term stability, and mitigates drift without multi-stage pretraining. These results highlight that computationally efficient, invariant-aware regularization coupled with sinusoidal representations yields robust, energy-consistent PINNs for Hamiltonian partial differential equations such as the KdV equation.
Authors: Fred Shone, Tim Hillel
Abstract: Modelling the complexity and diversity of human activity scheduling behaviour is inherently challenging. We demonstrate ActVAE, a deep conditional-generative machine learning approach for the modelling of activity schedules. Suitable for application in activity-based demand modelling frameworks, schedules are modelled as conditional on individual, household and schedule information, such as age, income, and access to public transit. We demonstrate the rapid generation of precise, realistic and diverse schedules dependent on input labels. We extensively evaluate and compare model capabilities against baseline models using a joint-density estimation framework. In addition to providing a novel alternative to existing scheduling approaches, our work highlights the value of explicitly modelling the randomness of complex and diverse human behaviours.
Authors: Xin Yang, Omid Ardakanian
Abstract: Data obfuscation is a promising technique for mitigating attribute inference attacks by semi-trusted parties with access to time-series data emitted by sensors. Recent advances leverage conditional generative models together with adversarial training or mutual information-based regularization to balance data privacy and utility. However, these methods often require modifying the downstream task, struggle to achieve a satisfactory privacy-utility trade-off, or are computationally intensive, making them impractical for deployment on resource-constrained mobile IoT devices. We propose Cloak, a novel data obfuscation framework based on latent diffusion models. In contrast to prior work, we employ contrastive learning to extract disentangled representations, which guide the latent diffusion process to retain useful information while concealing private information. This approach enables users with diverse privacy needs to navigate the privacy-utility trade-off with minimal retraining. Extensive experiments on four public time-series datasets, spanning multiple sensing modalities, and a dataset of facial images demonstrate that Cloak consistently outperforms state-of-the-art obfuscation techniques, reducing utility loss by up to 7.21% and privacy loss by up to 5.76%, and is well-suited for deployment in resource-constrained settings.
Authors: Akila Sampath, Vandana Janeja, Jianwu Wang
Abstract: Quantifying the causal relationship between sea ice thickness and sea surface height (SSH) is essential for understanding the mechanisms driving polar climate dynamics. Conventional deep learning models often struggle with treatment effect estimation in climate settings due to time-varying confounding and the lack of physical constraints. To address these challenges, we propose the Knowledge-Guided Causal Model Variational Autoencoder (KGCM-VAE) to quantify the effect of SSH on sea ice thickness. The framework leverages established physical relationships between SSH and surface velocity to generate physically grounded, time-varying continuous treatments, where each treatment value can change at every time step within a sequence. The model also incorporates Maximum Mean Discrepancy (MMD) to balance treated and control distributions in the latent space, mitigating observed confounding bias. Using synthetic data, we evaluated the model's ability to predict sea ice thickness responses under hypothetical SSH forcing scenarios, demonstrating that KGCM-VAE achieves lower PEHE compared to state-of-the-art baselines. Ablation studies further confirm that MMD consistently enhances treatment effect estimation over the base model. Additionally, we conducted a real-world case study to examine the sensitivity of sea ice thickness to SSH forcing and validate our findings against existing physical modeling results.
Authors: Alexander Benanti, Xi Han, Hong Qin
Abstract: Solving large-scale sparse linear systems originating from partial differential equations (PDEs) is a fundamental topic in high-performance scientific computing, where preconditioners are crucial. Multigrid methods are among the most effective preconditioners, yet their performance is dictated by the accurate construction of grid transfer operators. Current neural multigrid methods learn such operators with graph neural networks (GNNs), typically by extracting connectivity from discretized system matrices. While effective, these graph-based constructions suffer from rank inflation, resulting in unnecessarily large coarse spaces and slower convergence. To ameliorate, this paper advocates NeuraLSP, a new neural multigrid preconditioner that replaces graph aggregation with a fixed low-rank spectral representation derived from the left singular subspace of near-nullspace components. At the network design level, NeuraLSP is trained with a novel subspace loss function, which preserves the error modes most relevant to multigrid convergence while suppressing rank inflation. This paper's grand innovation hinges upon both theoretical guarantees and empirical robustness to rank inflation, affording up to a 53% speedup over SOTA neural preconditioners across a variety of PDE families.
Authors: Tianyi Zeng, Tianyi Wang, Jiaru Zhang, Zimo Zeng, Feiyang Zhang, Yiming Xu, Sikai Chen, Junfeng Jiao, Christian Claudel, Xinbo Chen
Abstract: Diffusion models have emerged as powerful generative tools for modeling complex data distributions, yet their purely data-driven nature limits applicability in engineering and scientific problems where physical laws must be respected. This paper proposes Physics-Informed Learning via Diffusion (PILD), a framework that unifies diffusion modeling and physical constraints through a probabilistic residual formulation with a virtual residual observation sampled from a Laplace distribution. To make this formulation practical under noisy diffusion states, we introduce a Jensen-gap-aware adaptive residual scale, which reduces the bias induced by residual likelihood marginalization. Additionally, we develop a physics-conditional alignment mechanism for conditional tasks that encourages intermediate latent representations to remain consistent with the observation conditions during denoising. The proposed framework is concise, modular, and broadly applicable to problems governed by ordinary differential equations, partial differential equations, as well as algebraic equations or inequality constraints. Extensive experiments across engineering and scientific tasks show that PILD improves physical fidelity and predictive accuracy over representative physics-informed and diffusion-based baselines.
Authors: Xiandong Zou, Jianshu Li, Jing Huang, Pan Zhou
Abstract: Speculative decoding accelerates inference for (M)LLMs, yet a training-decoding discrepancy persists: while existing methods optimize single greedy trajectories, decoding involves verifying and ranking multiple sampled draft paths. We propose Variational Speculative Decoding (VSD), formulating draft training as variational inference over latent proposals (draft paths). VSD maximizes the marginal probability of target-model acceptance, yielding an ELBO that promotes high-quality latent proposals while minimizing divergence from the target distribution. To enhance quality and reduce variance, we incorporate a path-level utility and optimize via an Expectation-Maximization procedure. The E-step draws Monte Carlo samples from an oracle-filtered posterior, while the M-step maximizes weighted likelihood using Adaptive Rejection Weighting (ARW) and Confidence-Aware Regularization (CAR). Theoretical analysis confirms that VSD increases expected acceptance length and speedup. Extensive experiments across LLMs and MLLMs show that VSD achieves up to a 9.6% speedup over EAGLE-3 and 7.9% over ViSpec, significantly improving decoding efficiency.
Authors: Haochen Wang, Yi Wu, Daryl Chang, Li Wei, Lukasz Heldt
Abstract: Optimizing large-scale machine learning systems, such as recommendation models for global video platforms, requires navigating a massive hyperparameter search space and, more critically, designing sophisticated optimizers, architectures, and reward functions to capture nuanced user behaviors. Achieving substantial improvements in these areas is a non-trivial task, traditionally relying on extensive manual iterations to test new hypotheses. We propose a self-evolving system that leverages Large Language Models (LLMs), specifically those from Google's Gemini family, to autonomously generate, train, and deploy high-performing, complex model changes within an end-to-end automated workflow. The self-evolving system is comprised of an Offline Agent (Inner Loop) that performs high-throughput hypothesis generation using proxy metrics, and an Online Agent (Outer Loop) that validates candidates against delayed north star business metrics in live production. Our agents act as specialized Machine Learning Engineers (MLEs): they exhibit deep reasoning capabilities, discovering novel improvements in optimization algorithms and model architecture, and formulating innovative reward functions that target long-term user engagement. The effectiveness of this approach is demonstrated through several successful production launches at YouTube, confirming that autonomous, LLM-driven evolution can surpass traditional engineering workflows in both development velocity and model performance.
Authors: Joseph An, Phillip Keung, Jiaqi Wang, Orevaoghene Ahia, Noah A. Smith
Abstract: Audio language models process input audio into rich frame-level representations, but the standard approach to temporal localization generates timestamps as sequences of text tokens, which discards the frame-level representations in favor of autoregressive decoding. However, generating timestamps as tokens is slow and not parallelizable, and tends to hallucinate when producing timestamps outside the training distribution. We propose internal frame-level reuse, a method that trains audio LMs to reuse their own internal audio representations for temporal localization directly, bypassing token generation altogether. We introduce a lightweight prediction head trained via different frame-level objectives: a binary frame classifier and a novel inhomogeneous Poisson process (IHP) loss that models temporal event intensity. Across word localization, speaker diarization, and event localization tasks, our approach can achieve a >50x inference speedup over token-based generation and demonstrates robust length generalization, maintaining high accuracy on out-of-distribution audio durations where token-based models collapse completely. We find that reusing audio frame-level representations yields localization accuracies comparable to (and often better than) finetuned token-based baselines.
Authors: Farshad Zeinali, Mahdi Boloursaz Mashhadi, Rahim Tafazolli
Abstract: Token Communications (TokenCom) has recently emerged as an effective new paradigm, where tokens are the unified units of multimodal communications and computations, enabling efficient digital semantic- and goal-oriented communications in future wireless networks. To establish a shared semantic latent space, the transmitters/receivers in TokenCom need to agree on an identical tokenizer model and codebook. To this end, an initial Tokenizer Agreement (TA) process is carried out in each communication episode, where the transmitter/receiver cooperate to choose from a set of pre-trained tokenizer models/ codebooks available to them both for efficient TokenCom. In this correspondence, we investigate TA in a multi-user downlink wireless TokenCom scenario, where the base station equipped with multiple antennas transmits video token streams to multiple users. We formulate the corresponding mixed-integer non-convex problem, and propose a hybrid reinforcement learning (RL) framework that integrates a deep Q-network (DQN) for joint tokenizer agreement and sub-channel assignment, with a deep deterministic policy gradient (DDPG) for beamforming. Simulation results show that the proposed framework outperforms baseline methods in terms of semantic quality and resource efficiency, while reducing the freezing events in video transmission by 68% compared to the conventional H.265-based scheme.
Authors: Swamynathan V P
Abstract: Test-Time Training (TTT) language models replace the KV-cache with fast weights updated during inference, achieving O(1) memory but suffering catastrophic failure on exact-recall tasks. Version 1 of this work proposed SR-TTT, which routes high-surprisal tokens to a sparse exact-attention Residual Cache, and reported large Needle-in-a-Haystack gains. We show those gains were evaluation artifacts: the loss and metric read logits at the answer positions rather than one position earlier, training both models to copy an answer already visible in their input (a model trained on retrieval-impossible data reaches 100% accuracy under the flawed metric); additionally, the cache attended non-causally over future tokens, including the answer itself. We release a corrected implementation with startup causality self-tests, then ask whether the SR-TTT hypothesis survives correction. It does not, and the failure decomposes into two independent, separately measured bottlenecks. Storage: surprisal gating is systematically position-biased - the TTT reconstruction loss requires burn-in before a needle becomes relatively surprising, so early-context needles are stored at near-zero rates (0-1% containment at depth 0.1) exactly where long-context memory matters most. Addressing: with storage solved by an oracle and with new trainable read-time projections, per-slot attention supervision raises addressing mass 2.5x (0.06 -> 0.15) yet token accuracy is statistically unchanged, and retrieval extracts only approx. 0.06 nats of the 2.30-nat needle; position-free content addressing cannot resolve ordered slots whose contents are near-interchangeable. Exact match remains 0% in all 2,250 paired trials across all corrected conditions. We retract the claims of v1 and offer the corrected codebase, diagnostic protocol, and negative results as a cautionary reference for surprise-gated memory architectures.
Authors: Chenlong Yin, Runpeng Geng, Yanting Wang, Jinyuan Jia
Abstract: Prompt injection poses serious security risks to real-world LLM applications, particularly autonomous agents. Although many defenses have been proposed, their robustness against adaptive attacks remains insufficiently evaluated, potentially creating a false sense of security. In this work, we propose PISmith, a reinforcement learning (RL)-based red-teaming framework that systematically assesses existing prompt-injection defenses by training an attack LLM to optimize injected prompts in a practical black-box setting, where the attacker can only query the defended LLM and observe its outputs. We find that directly applying standard GRPO to attack strong defenses leads to sub-optimal performance due to extreme reward sparsity -- most generated injected prompts are blocked by the defense, causing the policy's entropy to collapse before discovering effective attack strategies, while the rare successes cannot be learned effectively. In response, we introduce adaptive entropy regularization and dynamic advantage weighting to sustain exploration and amplify learning from scarce successes. Extensive evaluation on 13 benchmarks demonstrates that state-of-the-art prompt injection defenses remain vulnerable to adaptive attacks. We also compare PISmith with 7 baselines across static, search-based, and RL-based attack categories, showing that PISmith consistently achieves the highest attack success rates. Furthermore, PISmith achieves strong performance in agentic settings on InjecAgent and AgentDojo against both open-source and closed-source LLMs (e.g., GPT-4o-mini and GPT-5-nano). Our code is available at https://github.com/albert-y1n/PISmith.
Authors: Wei Chen, Yubing Wu, Junmei Yang, Delu Zeng, Qibin Zhao, John Paisley, Min Chen, Zhou Wang
Abstract: Preference optimization is widely used to align large language models (LLMs) with human preferences. However, many margin-based methods also suppress the chosen response when they try to suppress the rejected one, and there is no general way to prevent this across different objectives. We address this issue with a unified incentive-score decomposition of preference optimization, revealing that different objectives share the same local update directions and differ only in their scalar weights. This decomposition provides a common framework for analyzing objectives that were previously studied in separate settings. Building on this decomposition, by analyzing the dynamics of the chosen/rejected likelihoods, we identify the disentanglement band (DB), a simple, testable condition that tells us when training can follow the desired path: suppress the loser while preserving the winner, possibly after an early stage. Using the DB, we propose reward calibration (RC), a plug-and-play method that adaptively rebalances the updates for chosen and rejected responses to satisfy the DB, without redesigning the base objective. Empirical results show that RC leads to more disentangled dynamics, with better downstream performance observed across several settings. Our code is available at https://github.com/IceyWuu/DisentangledPreferenceOptimization.
URLs: https://github.com/IceyWuu/DisentangledPreferenceOptimization.
Authors: Georgios I. Orfanidis, Dimitris A. Pados, George Sklivanitis, Elizabeth Serena Bentley
Abstract: We consider the problems of computing the optimal rank-1 Hankel and Toeplitz-structured approximation of arbitrary matrices under L2 and L1-norm error. Such problems arise naturally in engineered systems, including the basic few-shot signal Direction-of-Arrival (DoA) estimation problem that is of importance to modern autonomous systems applications. We develop accurate and computationally efficient structured matrix decomposition algorithms for both formulations and then derive analytically grounded small-sample-support DoA estimators for practical sensing system deployments. The resulting estimators under the L2 and L1 norms are formally shown to be maximum-likelihood optimal under white Gaussian and Laplace noise, respectively. The estimators are further validated through extensive simulation studies and real-world data experiments in few-shot DoA inference.
Authors: Pavel Prochazka
Abstract: Bayesian neural networks are typically trained on the evidence lower bound (ELBO), which keeps the joint likelihood but pays a Jensen gap at every observation. We train by local consistency instead: direct minimisation of the Bethe free energy, whose data term pays no gap-it scores each observation exactly by its predictive density, a strictly proper rule, for any likelihood with a tractable predictive convolution. Our departure is free routing: the beliefs are trained as free parameters of this objective, jointly with the backbone, rather than bound to the conjugate posterior computed in closed form (closed routing). Instantiated with a Gaussian last layer over a deterministic backbone, exact inference appears as the known, closed-routed corner-the neural-linear marginal likelihood, evidence-optimal, keeping the joint. A shared cavity instead trades it for a batchable per-plate predictive score, and free routing reaches that score's optimum-unattainable under the binding whenever the noise is heteroscedastic-improving NLL and calibration over the exact corner. This instance, SCROLL (Shared-Cavity fRee-rOuting Last-Layer), is a single-pass, any-likelihood Bayesian neural network, implicitly empirical-Bayes-prior precision, observation noise, covariance, and backbone fit in one gradient pass. At a single training run and forward pass per architecture-where the conventional references cross-validate their regularisation weight and ensembles pay 5-50x at inference-a fixed SCROLL variant is best-or-tied on NLL and calibration on 7/8 UCI regression benchmarks, and best on 4/5 across three large tabular datasets and two frozen text/vision embeddings.
Authors: Yupeng Su, Ruijie Zhang, Ziyue Liu, Yequan Zhao, Zheng Zhang
Abstract: The Muon optimizer has emerged as a compelling alternative to Adam for training large language models, achieving remarkable computational savings through gradient orthogonalization. However, Muon's optimizer state is more sensitive to quantization errors: because the orthogonalization discards the magnitudes of singular values and retains only directional information, even small quantization errors in singular vector directions are amplified in the update. In this work, we propose MuonQ, a low-bit Muon training framework built on the principle of directional fidelity optimization. First, we apply a pre-quantization normalization so that each step introduces quantization errors of the same magnitude, preventing the accumulated error from developing a preferred direction. Second, we introduce a structural decomposition that separately quantizes the dominant singular components via power iteration, ensuring that quantization errors perturb only singular value magnitudes rather than rotating singular vector directions. Third, we adopt $\mu$-law companding quantization to allocate higher resolution to densely packed momentum values, shifting the quantization objective from outlier preservation to dense-region distinguishability. Together, these techniques enable stable 4-bit quantization of Muon's optimizer states. Pre-training experiments on GPT-style and LLaMA-style models demonstrate that MuonQ at 4-bit precision recovers most of full-precision Muon's training loss and downstream accuracy while reducing optimizer-state memory by up to 7.3$\times$, offering a favorable point on the accuracy-memory trade-off. Our code is available at https://github.com/YupengSu/MuonQ.
Authors: Chunsan Hong, Sanghyun Lee, Chieh-Hsin Lai, Satoshi Hayakawa, Yuhta Takida, Yuki Mitsufuji, Seungryong Kim, Jong Chul Ye
Abstract: Masked diffusion models (MDMs) have emerged as a promising alternative to autoregressive models (ARMs) for language modeling. However, MDMs are known to learn substantially more slowly than ARMs, which may become problematic when scaling MDMs to larger models. Therefore, we ask the following question: how can we accelerate standard MDM training while maintaining its final performance? To this end, we first provide a detailed analysis of why MDM training is slow. We find that the main factor is the locality bias of language: the predictive information for a token is concentrated in nearby positions. We further investigate how this bias slows learning and suggest a simple yet effective remedy: bell-shaped time sampling as a training strategy. Notably, MDMs trained with our training recipe reach the same validation negative log-likelihood (NLL) up to $\sim4\times$ faster than standard training on One Billion Word Benchmark (LM1B). We also show faster improvements in generative perplexity, zero-shot perplexity, and downstream task performance on various benchmarks.
Authors: Gwenol\'e Quellec
Abstract: Learning latent representations from complex data is central to modern machine learning, spanning temporal, multimodal, and partially observed systems. In such settings, representations are more naturally understood as latent states capturing underlying system dynamics rather than compressed summaries of observations. Yet current approaches remain fragmented, relying on distinct, often implicit, assumptions about what these states should represent. We argue that this fragmentation reflects a more fundamental limitation: latent representations are typically learned from underconstrained objectives that fail to specify the properties that meaningful latent states should satisfy. As a result, multiple representations may satisfy the same objective, leading to ambiguity in their structure and interpretation. While many underlying principles have been studied in isolation, their interactions have not been explicitly formalized. We propose Constrained Latent State Modeling (CLSM) as a unifying conceptual framework. CLSM characterizes latent states through complementary constraints, including predictive sufficiency, minimality, temporal coherence, observation compatibility, invariance to nuisance factors, and structural constraints, and interprets representation learning as balancing these properties through trade-offs. Revisiting major modeling families through this lens, we show that existing approaches emphasize different subsets of constraints, occupying distinct regions of a common design space. A controlled synthetic benchmark illustrates how different constraint combinations induce distinct latent organizations and Pareto-optimal trade-offs. By shifting the emphasis from architecture-centric to constraint-driven design, CLSM provides a principled framework for analyzing existing methods, guiding new ones, and evaluating latent representations according to their intended properties.
Authors: Kelvin Kan, Xingjian Li, Benjamin J. Zhang, Tuhin Sahai, Stanley Osher, Markos A. Katsoulakis
Abstract: Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the state space size $S$ and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes dimension-free convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of $S$ and applicable to both masked and uniform priors. Importantly, our results can extend existing step complexity guarantees to any IPM. In addition, our theory relies only on a single standard rate-matrix regularity assumption and applies to general priors. Five novel techniques drive our improvements: 1. working in the space of observables via adjoint equations rather than directly with probability measures; 2. a regularity analysis that yields bounds on any IPM; 3. a coupling argument that removes $S$-dependence under uniform transitions; and 4. score-marginal cancellation and 5. exit-routing techniques that remove $S$-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models, including principled choices of loss functions and dimension-free step complexity.
Authors: Luciano Melodia
Abstract: Transfer learning presumes that a representation learned on a source task carries structure that remains usable on a related target task. Standard evaluations probe this through target accuracy or a distributional discrepancy, without stating which structural invariant should survive the change of task. We make that invariant explicit and computable. We model a task as a small category: its objects are the task's components, such as data domains or class labels, and its morphisms are the admissible relations between them, such as the comparison of a coarse class with a fine class refining it. A change of task is a functor $J:\mathcal A\to\mathcal B$ from the source task category to the target task category, recording where each component is sent and which are thereby identified. A trained representation is summarised by a functor $F:\mathcal{A}\to\mathcal{V}$ into a category of invariants, e.g. the persistent homology of its latent point cloud per component. The target must then exhibit the left Kan extension $\operatorname{Lan}_JF$, the universal extension of $F$ along $J$. For an observed target invariant $G:\mathcal B\to\mathcal V$ we define the transfer discrepancy $\operatorname{Comp}_J(F,G)=\sup_{b\in\operatorname{Ob}(\mathcal B)}d_{\mathcal V}((\operatorname{Lan}_JF)(b),G(b))$, scoring transfer against the invariant $J$ forces, not the source itself. We prove finite cokernel formulas for $(\operatorname{Lan}_JF)(b)$ over the comma category $J\downarrow b$, in chain complexes and persistence modules, and for finite-type one-parameter persistence it equals the bottleneck distance between barcodes exactly. Controlled experiments on neural latent point clouds test whether the score recovers the correct change of task and flags representation collapses that preserve accuracy while destroying transfer-relevant topology.
Authors: Chenxiao Yang, Nathan Srebro, Zhiyuan Li
Abstract: We tightly characterize the VC dimension of depth-$L$ Transformers with a total of $W$ parameters, mapping an input sequence of length $T$ to a single output, establishing an upper bound of $O(L W \log (T W))$ and a nearly matching lower bound of $\Omega(L W \log (T W / L))$. We further tightly characterize the sample complexity of chain-of-thought learning using such a Transformer, showing teacher forcing (i.e. selecting a predictor consistent with the entire chain-of-thought on training data) learns with sample complexity $O\left(L W \log \left(\left(T+T^{\prime}\right) W\right)\right)$ and that any learning rule that uses chain-of-thought data requires at least $\Omega\left(L W \log \left(\left(T+T^{\prime}\right) W / L\right)\right)$ examples, where $T$ is the input length and $T^{\prime}$ is the number of autoregressive steps.
Authors: Yash Vardhan Tomar, Dheeraj Peddireddy
Abstract: Adaptive Hamiltonian learning is central to calibrating and characterizing quantum devices. In an adaptive controller, choosing the next experiment is itself a computation. Bayesian design rules are recomputed after every posterior update, and that step can take seconds. Across hundreds of shots, those seconds become a significant wall-clock cost for adaptivity. We introduce SymQNet, an amortized reinforcement-learning approach for low-latency adaptive Hamiltonian learning. SymQNet learns a posterior-conditioned acquisition policy offline, then uses a fast policy forward pass online while retaining Bayesian posterior feedback. On transverse-field Ising benchmarks, SymQNet substantially reduces acquisition latency relative to bounded Fisher-information search and bounded two-step Bayesian active learning by disagreement (BALD). At five qubits, it reduces acquisition-only decision latency by 47.1x and 72.6x relative to these online baselines; at twelve qubits, full simulated steps take 1.02 seconds for SymQNet versus 13.27 seconds for bounded two-step BALD. Overall, we show that learned acquisition can make adaptive Hamiltonian learning practical for repeated low-latency workloads.
Authors: Alper Y{\i}ld{\i}r{\i}m
Abstract: Simple linear and frequency-domain models remain surprisingly competitive in long-horizon time-series forecasting, and recent mechanistic evidence suggests that standard forecasting benchmarks may not require the dense superposed representations that make transformers powerful in other domains. This raises a substrate-level question: if the core forecasting operator is often low-complexity and approximately linear, does it need to be implemented as learned digital temporal mixing? We introduce HAMON, a passive diffractive optical forecasting core in which historical values are encoded onto an optical aperture, future positions are left dark, and cascaded trainable phase masks with free-space diffraction shape the forecast directly in the output field. At inference, prediction is performed by a single passive optical propagation pass with no trainable digital sequence-mixing layer. Across standard benchmarks, HAMON outperforms the strongest digital baselines considered on ETTm2 at all horizons and on ETTh2 at all but the longest horizon, improving MSE by up to 14\% and doing so consistently across horizons rather than at isolated points. It is competitive on Weather and trails the strongest baselines on the remaining ETT settings and on the high-channel-count Traffic and Electricity datasets. Phase encoding, intensity-compatible readout, and phase-scrambling ablations, together with a TorchOptics cross-simulator check, indicate that the forecasts arise from the data-bearing optical field rather than from a digital forecasting head. Because the passive core uses standard Fourier optics, HAMON defines a concrete target for optical hardware and for passive physical sequence mixing.
Authors: Siwon Kim
Abstract: Data analysis in the medical domain often encounters scenarios involving a limited target dataset and a large, unannotated dataset with a general distribution. Under such circumstances, self-supervised learning (SSL) methods are highly effective for utilizing large datasets, making them a popular choice for electrocardiogram (ECG) analysis. This work presents the Event Reconstruction Joint-Embedding Predictive Architecture (ER-JEPA), a lightweight SSL framework for multivariate time series, whose name and two-fold hierarchical structure are inspired by the diagnostic approach of cardiologists. At its core, ER-JEPA features: (1) a two-stage structure that constructs representations for each time interval and subsequently processes these representations as a univariate time series, (2) the hierarchical integration of two Joint-Embedding Predictive Architectures (JEPAs), and (3) a Vision Transformer (ViT) backbone. The structural concatenation of two JEPAs categorizes the model as a Hierarchical JEPA (H-JEPA), designed to encode multiple levels of abstract representations for enhanced prediction on complex tasks. This study reports a successful application of H-JEPA to 12-lead ECG data as a multivariate time series, alongside an analysis of the sensitivity of hierarchical representation during the pretraining stage. Furthermore, this study provides a qualitative demonstration that the intermediate representations produced by the first module of ER-JEPA excel at local feature extraction, as they are structurally free from over-smoothing. Pretrained on approximately 180,000 10-second recordings, the model achieves state-of-the-art downstream performance on the ST-MEM benchmark, with rapid computation and minimal resource usage.
Authors: Linjie Xu, David Wipf
Abstract: Given a relational database (RDB) storing heterogeneous tabular information, how can we predict missing (or future) values in some target column of interest? As the space of potential targets is vast across enterprise settings, it is preferable to avoid learning a new model from scratch each time there is a new prediction task. Frozen foundation models based on RDB-specific encoders provide a viable solution, but ideal design remains an open question. On the one hand, it has recently been argued that certain parameter-free subgraph encoders combined with single-table foundation models can achieve near SOTA performance, with no RDB-specific pre-training required. Meanwhile, other contemporary studies advocate for parameterized encoders pre-trained to exploit observable labels for learning task-specific representations. To address this ambiguity, we analyze RDB encoder properties specifically when labels are present as inputs, proving limitations on the potential efficacy of trainable encoder parameters. As empirical validation, we demonstrate that considerably simpler parameter-free encoders are still capable of strong performance across many relevant benchmarking tasks.
Authors: Jingxiang Zhang, Lujia Zhong, Zijie Zhu, Shuo Huang, Yuang Xu
Abstract: Few-shot multimodal classification commonly attaches a lightweight head, such as $k$-nearest neighbors, logistic regression, or a linear SVM, to a frozen pretrained encoder. Although computationally efficient, these heads can produce poorly calibrated confidence scores, limiting their reliability in calibration-sensitive applications. We evaluate TabPFN as a plug-and-play, zero-gradient classification head for frozen image, text, and audio encoders. Across 22{,}820 evaluation episodes spanning 14 datasets, 11 encoders, and three modalities, TabPFN achieves the best mean rank among nine classification heads on both negative log-likelihood (NLL) and expected calibration error (ECE). At a representative setting, it reduces NLL by 48--62\% and ECE by 2.1--5.3$\times$ relative to the average of the eight baselines while matching or exceeding their average accuracy. Its accuracy advantage is conditional, concentrating at moderate-to-high shot counts and low-to-moderate feature dimensions ($k \ge 50$, $d \le 32$), and diminishing when labeled data are scarce, feature dimensions are high, or competing methods approach ceiling accuracy. In targeted backbone-adaptation experiments, replacing the trained linear head with TabPFN substantially improves calibration while preserving competitive accuracy. These results provide empirical guidance for using TabPFN as a training-free head in calibration-sensitive multimodal classification. To support transparency and reproducibility, we publicly release the source code, experiment configurations, and evaluation scripts in our GitHub repository: https://github.com/Jingxiang-Zhang/tabpfn-multimodal-embeddings.
URLs: https://github.com/Jingxiang-Zhang/tabpfn-multimodal-embeddings.
Authors: Abdallah Aaraba, Alexis Vieloszynski, Remon Polus, Ola Ahmad, Soumaya Cherkaoui
Abstract: The broadcast nature of wireless channels exposes radio-frequency (RF) networks to anomalous and malicious transmissions, making anomaly detection a fundamental requirement for secure spectrum management. Quantum Kitchen Sinks (QKS) offer a lightweight hybrid quantum feature map suitable for near-term quantum devices, yet their behavior on structured signal data remains poorly understood. In this paper, we extend the standard QKS template with multi-depth data re-uploading and ring entanglement, and evaluate the resulting pipeline on controlled RF spectrogram anomaly detection. We introduce a validation-locked five-stage ablation protocol that systematically separates the effects of shallow architecture, re-uploading depth, episode budget, input representation, and classical readout. Across the completed benchmark, Discrete Cosine Transform (DCT) representations consistently dominate raw and Principal Component Analysis (PCA) inputs, moderate-depth entangled QKS configurations form the strongest operating regime, and QKS improves over matched classical direct-readout baselines across all evaluated representation-readout pairs on the held-out test set, with the best configuration reaching a test Area Under the Receiver Operating Characteristic curve (AUROC) of 0.8778 and a test F1 of 0.7995. The study bridges two levels of realism: real measured sub-6\,GHz cellular signals on the data side and real-device validation on the ibm_quebec Quantum Processing Unit (QPU) on the computing side, with AUROC deviations below 0.013 relative to simulation. These results provide a practical, reproducible framework for deploying QKS-based anomaly detection in wireless networks.
Authors: Peiyu Zang, Bosen Xie, Ruoxiang Xu, Yongqiang Cai
Abstract: Physics-Informed Neural Networks (PINNs) solve PDEs by incorporating physical constraints into neural-network training, but large-scale problems are limited by automatic-differentiation memory overhead and inefficient execution of grid-based PDE operators. We present FlashPDE, a drop-in fused operator library for grid-based scientific machine learning. FlashPDE replaces fragmented PyTorch finite-difference execution with differentiable Triton kernels. Each operator integrates fused stencil evaluation, an analytic discrete-adjoint backward pass, and boundary-gradient correction within a unified PyTorch autograd.Function interface. The library provides 14 differentiable PDE operators covering 17 configurations across 1D--3D elliptic, parabolic, and Navier--Stokes systems, while remaining independent of neural architectures and training strategies. Experiments on an NVIDIA A100 GPU show that FlashPDE reduces peak memory usage by up to 37.0x compared with coordinate-based automatic differentiation and reduces CUDA kernel launches by up to 3.5x compared with eager PyTorch finite-difference implementations. Across six representative PDE benchmarks, FlashPDE achieves up to 2.30x end-to-end time-to-solution speedup and up to 19.2x kernel-level acceleration while maintaining numerical agreement with PyTorch finite-difference references. FlashPDE provides a hardware-efficient execution layer that bridges differentiable PDE solvers and GPU-optimized numerical computation within the PyTorch ecosystem.
Authors: Shuangyao Huang
Abstract: Counterfactual credit assignment has proven effective in multi-agent reinforcement learning (MARL) for discrete action spaces, yet its extension to continuous-action cooperative tasks remains challenging. Existing methods that approximate the counterfactual baseline via Monte Carlo sampling often introduce bias into policy gradients and fail to guarantee convergence to local optima, as the sampled actions may not have been sufficiently trained. To address these limitations, we propose SAFE, a novel MARL framework that employs a counterfactual baseline conditioned on a self-evolving default action sampled from each agent's experience buffer. This design naturally extends to continuous action spaces without relying on additional simulations, reward models, or environment-specific prior knowledge. The baseline accurately quantifies each agent's contribution, and introduces no bias into the deterministic policy gradient, ensuring convergence to local optima. Extensive experiments on cooperative vehicular tasks demonstrate that SAFE consistently outperforms state-of-the-art models.
Authors: Hannes Nilsson, Rafael Basso, Bal\'azs Kulcs\'ar, Morteza Haghir Chehreghani
Abstract: In this work, we incorporate first principle physics into the construction of data-driven methods by considering a model that accounts for the different sources of energy losses during vehicle operations. Our results show that Bayesian linear regression based on this physics-aware model can improve the reliability of the expected energy consumption, as compared with standard linear regression. Further, it is shown that more complex machine learning models such as neural networks and gradient boosted regression trees, based on the same physical model, can further improve the accuracy in energy forecasting and significantly outperform standard versions of the same machine learning models. In addition to point predictions of the energy consumption, we develop a framework for estimating the corresponding uncertainty in the form of predicted standard deviation. Our results show that all of the models learn to estimate the uncertainty reasonably well.
Authors: Chen Ziheng
Abstract: Deep neural networks on manifold-valued representations have attracted growing interest, but many basic components remain tied to specific manifolds, rely on Euclidean approximations, or require costly and numerically fragile geometric operations. This thesis develops a unified framework for Riemannian deep learning from three complementary perspectives: reusable neural modules, manifold-specific network architectures, and the design of underlying geometries. It generalizes batch normalization from Euclidean spaces and individual manifolds to broad classes of Lie groups and gyrogroups, and extends multinomial logistic regression from Euclidean space to SPD manifolds and then to general Riemannian manifolds. It further develops neural networks for several important geometric representations, including an unconstrained model of hyperbolic space, Busemann-based hyperbolic learning, and full-rank correlation matrices. Finally, it introduces adaptive and computationally efficient Riemannian metrics on SPD manifolds, including learnable Log-Euclidean geometries and fast, stable Cholesky-based geometries. The proposed methods are supported by theoretical analysis and validated through numerical experiments and applications in vision, signal processing, graph learning, and genomics.
Authors: Japan K. Patel, Barry D. Ganapol, Anthony Magliari, Matthew C. Schmidt, Todd A. Wareing
Abstract: This work extends our one-dimensional single-sweep neural-operator studies to two dimensions. We consider one-group transport with isotropic scattering. As in the one-dimensional work, we use Fourier neural operators (FNOs) to approximate the high-fidelity scalar flux. Additionally, we also investigate U-shaped neural operators (UNOs) in this study. We consider three surrogates. The first two map the material and source fields directly to the flux, one using an FNO and one using a UNO. The third is an FNO that additionally takes the scalar flux after one source iteration, the single-sweep approximation, as an input. Each case is solved to high fidelity with a verified discrete-ordinates solver, and an average relative L_2 error norm is used to characterize the quality of the inferred maps. We train every surrogate over three random seeds so that differences between them can be assessed against run-to-run variability. Two questions guide the study: whether the single-sweep input improves accuracy over the direct maps, and whether training on the logarithm of the flux improves accuracy in the strongly attenuated regions relevant to shielding.
Authors: Keston Aquino-Michaels
Abstract: A recent report finds that orthogonalizing the mLSTM memory matrix at read time (five Newton-Schulz iterations, trained through) substantially improves noisy associative recall. The effect replicates, but it is not a memory improvement. Training on this task is a long chance plateau followed by a sharp escape, and the orthogonalized read acts by re-conditioning the learning problem during the plateau. Three properties establish this. It must be self-consistent: an exact recursive least-squares read (the Mesa layer) reproduces it, while straight-through halves, delta-rule writes, frozen random keys, and plain normalization all fail. It is uniform: across a learning-rate x hardness grid it multiplies the escape hazard roughly six-fold with no detectable hardness dependence, widening the workable learning-rate corridor that narrows for the baseline. And it is removable: applied to failed models at inference it rescues none, and annealed away on an escape-triggered schedule it leaves numerically stock mLSTMs at full accuracy. Much of the published gain needs no architecture at all: solved-rate at a fixed budget measures escape hazard, which follows a heat/noise law (learning-rate elasticity +3.0, gradient-noise elasticity -1.65) under which the original vocab-96 result is a large-batch noise condition rather than a capacity one. Decoding the memory state directly shows failed models carry roughly half their associations in linearly recoverable form: the plateau is a readout failure over half-written storage. Two conclusions travel beyond the intervention: recall benchmarks used for architecture selection partly measure trainability, and the system is a fully instrumented model organism of "emergence," in which a sharp behavioral threshold demonstrably arises from a censored metric over gradually accumulating structure.
Authors: Rafael da Silva, Danilo Alvares
Abstract: Recent work has argued normatively, on synthetic data, that evaluating survival models by discrimination alone (concordance index) yields systematically misleading model comparisons, because the metric ignores calibration and time-dependent accuracy. Whether this matters for real, published, non-clinical models has not been tested. We reproduce three published survival-ML models across three structurally distinct domains -- hard-drive failure prediction, peer-to-peer credit default, and user disengagement on digital platforms -- validate our instrument against the anchor paper's own synthetic experiment, and test five pre-registered hypotheses under a Holm-corrected family-wise error rate. Three of five reject (though one pre-registered threshold clears by a narrow margin). A model reproducing the published literature's discrimination almost exactly (C = 0.9595 vs. 0.958 reported) fails a formal calibration test at p < 0.001; a broad feature-ablation search finds no single attribute responsible for its discrimination, so the calibration failure is not a trivial shortcut artifact. A lender's estimated default risk is biased upward by roughly two percentage points, growing to nearly four in the riskiest segment, when loan prepayment is treated as non-informative censoring rather than a competing risk. A platform's churn model shows probability estimates that degrade with the horizon even as global discrimination stays within the pre-registered C-index band. A direct test of whether metric choice inverts model preference does not reject, though with limited power given two to three models per domain; the failure mode we document is better characterized as misplaced confidence in a chosen model than as choosing the wrong one. We release a pre-registered evaluation harness with full code and an annotated notebook, so these results can be verified independently and the audit extended.
Authors: Kavin Aravindan, Arihant Rastogi, Krishak Aneja, Aadi Prasad, Saiyam Jain, Vaishnavi Shivkumar, Ponnurangam Kumaraguru
Abstract: Activation steering provides a lightweight mechanism for controlling large language models at inference time, but steering vectors can have unintended externalities: utility vectors may weaken safety behavior, while refusal vectors may induce over-refusal on benign prompts. We introduce OPIUM (Optimizing Protected Injections via Utility Manifolds), a training-free method for sanitizing steering vectors through representation matching. Given reference behaviors on two prompt sets, OPIUM optimizes a new steering vector that preserves the downstream representations induced by the desired intervention while matching a safer reference behavior on prompts where the original vector fails. Across steering-externality and over-refusal settings, OPIUM improves the safety--utility tradeoff relative to vanilla steering and directional ablation, suggesting that harmful side effects of activation steering can often be mitigated directly in activation space.
Authors: Vasos Arnaoutis, Eric Lutters, Bojana Rosi\'c
Abstract: In this paper, we present a generalized temporal-difference (TD) reinforcement learning framework based on the theory of conditional expectations. The value and action-value (Q-value) functions are treated as uncertain quantities, and their estimation is formulated as a stochastic inference problem. Unlike classical Kalman-based temporal-difference learning, which relies on linear-Gaussian assumptions, the proposed formulation is derived directly from the conditional expectation framework and naturally extends to nonlinear models and non-Gaussian probability distributions. The proposed method recursively estimates not only the conditional expectation of the value function but also its second probabilistic moment, thereby quantifying the uncertainty associated with the learned value function throughout the learning process. To obtain a computationally tractable algorithm, the stochastic problem is discretized using either polynomial chaos expansions or ensemble-based approximations, providing efficient representations of the underlying random variables. The proposed framework is demonstrated on two optimal control problems: a linear mass--spring--damper system and a nonlinear heat conduction problem in a closed cavity. The numerical examples illustrate the capability of the proposed method to accurately estimate both the value function and its associated uncertainty, while extending classical Kalman-based temporal-difference learning to a broader class of stochastic systems.
Authors: Beining Wang, Weihang Su, Hongtao Tian, Hao Kong, Tao Yang, Ting Yao, Qingyi Pan, Yueyue Wu, Qingyao Ai, Min Zhang, Yiqun Liu
Abstract: Post-training with evaluator feedback on policy-induced samples serves as a major mechanism for improving large language models. As policies improve, these sampled responses become close in quality. These close candidates create a bottleneck for policy optimization: collapsed relative evaluator score gaps yield weak or misleading policy supervision. We theoretically characterize why these gaps matter through a probability allocation view, showing that the directional gain of shifting probability mass from one response to another is exactly the evaluator score gap between them. This identifies relative score gaps as the policy optimization signals that guide updates. Motivated by this view, we propose DynamicRubric, a response-set-conditioned evaluator--policy co-evolution framework that generates weighted binary rubric items for each candidate set and aggregates the resulting judgments into response-level scores. In our experiments with 8B backbones, DynamicRubric improves evaluator performance and provides stronger policy supervision than baselines using a 70B reward model or a 235B static rubric generator. DynamicRubric-optimized policies also show gains on verifiable reasoning and coding tasks. A DynamicRubric-optimized model is fully deployed in WeChat Search's AI answering scenario, where it serves all online traffic across tens of millions of requests per day and improves key online metrics. These results suggest a principle for evaluator-guided post-training: evaluators should evolve with the policies they supervise.
Authors: Vitor M. Leitao, Juscimara G. Avelino, George D. C. Cavalcanti, Rafael M. O. Cruz
Abstract: Imbalanced regression problems arise when the target variable has an asymmetric distribution, resulting in underrepresented value ranges in the dataset. Traditional approaches for identifying rare instances rely on a relevance function that assigns higher importance to specific regions of the target distribution. However, the effectiveness of imbalance-aware learning methods depends strongly on how relevance is defined. In more complex scenarios, such as bimodal distributions, traditional relevance functions struggle to capture rarity, as they assign fixed relevance values based solely on target values, thereby compromising the distinction between truly rare and normal instances. To address these limitations, this study proposes an Instance Hardness-based relevance function (InHaR) for identifying rare instances in regression problems. Unlike traditional relevance functions, the proposed approach incorporates learning difficulty, allowing rarity to be inferred not only from the target distribution but also from the difficulty of instances for the learning algorithm. This property is particularly important in bimodal scenarios, where rarity cannot be accurately inferred from target values alone. Experimental results demonstrate that the InHaR correctly identifies rare regions under bimodal distributions and, when used to guide resampling strategies such as Random Oversampling (RO) and Gaussian Noise (GN), leads to significant improvements in predictive performance compared to traditional relevance-based approaches. The code, dataset, and further details about the proposed method are publicly available at https://github.com/VitorLeitao/instance-hardness-Imbalanced-regression.
URLs: https://github.com/VitorLeitao/instance-hardness-Imbalanced-regression.
Authors: Jia Wan, Sean R. Sinclair, Devavrat Shah, Martin J. Wainwright
Abstract: We study a structured class of Markov Decision Processes, known as Exo-MDPs, in which the state space is partitioned into exogenous and endogenous components. Exogenous states evolve stochastically, independent of the agent's actions, while endogenous states evolve deterministically based on both state components and actions. Exo-MDPs capture many operations research settings, including inventory control, resource management, and ride-sharing. Our first contribution is structural: we establish a representational equivalence between discrete MDPs, Exo-MDPs, and discrete linear mixture MDPs. Our second contribution is statistical. We characterize the minimax regret of learning in Exo-MDPs when the effective dimension r is small relative to the endogenous state and action spaces. When the exogenous states are unobserved, we prove matching upper and lower regret bounds of order $\Theta(Hr \sqrt{K})$ over $K$ episodes of horizon $H$, where $r$ is the effective dimension of the Exo-MDP. When exogenous states are observed, the minimax regret improves to $\Theta(H\sqrt{ r K})$, revealing a $\Theta(\sqrt{r})$ statistical gap due to observation of the exogenous states. These results show that Exo-MDPs decouple sample complexity from action space and endogenous state space. We validate these insights with experiments on inventory control and resource allocation.
Authors: Fredrik K. Gustafsson, Constance Boissin, Johan Vallon-Christersson, Mattias Rantalainen
Abstract: Gene-expression profiling is widely used in research and central to many areas of precision oncology, but remains costly and not universally accessible. Recent advances in computational pathology enable prediction of transcriptomic profiles directly from hematoxylin and eosin (H&E)-stained whole-slide images (WSIs), although optimal modeling strategies and clinical relevance remain unclear. In this study, we systematically evaluate deep regression models for WSI-based gene-expression prediction across multiple regression formulations and pathology foundation models (PFMs), and assess whether the resulting predicted transcriptomic signals retain prognostic utility. Across four TCGA datasets, we find that direct regression using attention-based multiple instance learning together with PFM feature extractors provides a strong and computationally efficient baseline, with no consistent benefit from separately training multiple models on subsets of genes. We then externally validate the selected configuration on an independent cohort of 997 breast cancer patients, demonstrating robust generalization for clinically relevant gene sets such as PAM50. To assess clinical relevance, we further evaluate predicted gene-expression scores in two independent population-representative breast cancer cohorts comprising 4,172 patients with survival endpoints, where predicted scores retain prognostic value in both the full patient cohort and the ER+ & HER2- subgroup. Together, these results demonstrate that WSI-based gene-expression prediction can generalize across independent cohorts and recover biologically and clinically meaningful molecular structure, supporting its potential as a scalable approach for transcriptomic phenotyping and risk stratification.
Authors: Florinel-Alin Croitoru, Andrei-Iulian Hiji, Vlad Hondru, Nicolae Catalin Ristea, Paul Irofti, Marius Popescu, Cristian Rusu, Radu Tudor Ionescu, Fahad Shahbaz Khan, Mubarak Shah
Abstract: We survey deepfake generation and detection techniques, covering all deepfake media types: image, video, audio and multimodal content. We identify various kinds of deepfakes and construct taxonomies of deepfake generation and detection methods, illustrating the important groups of methods. Next, we gather datasets used for deepfake detection and provide updated rankings of the best performing detectors on the most popular datasets. In addition, we develop a novel multimodal benchmark to evaluate deepfake detectors on out-of-distribution content. The results indicate that state-of-the-art detectors fail to generalize to deepfakes generated by unseen generators. Our project page and new benchmark are available at https://github.com/CroitoruAlin/biodeep.
Authors: Messi H. J. Lee
Abstract: Large language models (LLMs) reproduce homogeneity bias -- the tendency to portray marginalized groups as more internally similar than dominant groups -- but whether this bias generalizes across models, is stable under different inference settings, or depends on how group identity is signaled remains unstudied. We map homogeneity bias across seven open-weight instruction-tuned LLMs (7-20B parameters), a 5x5 temperature x top-p decoding grid, and two paradigms for signaling group identity (explicit labels vs. racially distinctive names). In six of seven models, Hispanic and Asian Americans are portrayed as significantly more homogeneous than White Americans at the default configuration, and the effect remains positive on average at every temperature and top-p tested; African American and gender bias instead vary in direction across models. A conservative cell-level re-analysis confirms Hispanic and Asian homogeneity as robust while weaker African American and gender signals largely do not survive, establishing group-specific robustness. We also apply the same grid to a names-based paradigm in which group identity is signaled via racially distinctive surnames rather than explicit labels. The names paradigm corroborates Hispanic and Asian homogeneity bias, but Black-coded surnames elicit robustly less homogeneous outputs than White-coded names in every model tested -- a reversal absent from the label paradigm -- showing that how group identity is operationalized shapes which biases surface and in which direction.
Authors: Zijun Gao, Yan Sun, Han Su
Abstract: Generative models have achieved remarkable success across a range of applications, yet their evaluation still lacks principled uncertainty quantification. In this paper, we develop a method for comparing how close different generative models are to the underlying distribution of test samples. Particularly, our approach employs the Kullback-Leibler (KL) divergence to measure the distance between a generative model and the unknown test distribution, as KL requires no tuning parameters such as the kernels used by RKHS-based distances, and is the only $f$-divergence that admits a crucial cancellation to enable the uncertainty quantification. Furthermore, we extend our method to comparing conditional generative models and leverage Edgeworth expansions to address limited-data settings. On simulated datasets with known ground truth, we show that our approach realizes effective coverage rates, and has higher power compared to kernel-based methods. When applied to generative models on image and text datasets, our procedure yields conclusions consistent with benchmark metrics but with statistical confidence.
Authors: Puwei Lian, Yujun Cai, Songze Li, Bingkun Bao
Abstract: Diffusion models have achieved tremendous success in image generation, but they also raise significant concerns regarding privacy and copyright issues. Membership Inference Attacks (MIAs) are designed to ascertain whether specific data was utilized during a model's training phase. As current MIAs for diffusion models typically exploit the model's image prediction ability, we formalize them into a unified general paradigm that computes the membership score for membership identification. Under this paradigm, we empirically find that existing attacks overlook the inherent deficiency in how diffusion models process high-frequency information. Consequently, this deficiency leads to member data with more high-frequency content being misclassified as hold-out data, and hold-out data with less high-frequency content tends to be misclassified as member data. Moreover, we theoretically demonstrate that this deficiency reduces the membership advantage of attacks, thereby interfering with the effective discrimination of member data and hold-out data. Based on this insight, we propose a plug-and-play high-frequency filter module to mitigate the adverse effects of the deficiency, which can be seamlessly integrated into any attacks within the general paradigm without additional time costs. Extensive experiments corroborate that this module significantly improves the performance of baseline attacks across different datasets and models. Code is available at https://github.com/poetic2/FreMIA.
Authors: M S\"uzen
Abstract: A proposition that connects randomness and compression is put forward via Gibbs entropy over set of measurement vectors associated with a lossy compression process. In building this connection, we use a performance of a learning task as a probe of compression in iterative compress-train cycles. This can be thought as iterative coarse-graining from statistical mechanics perspective using thermodynamic efficiency as a probe. We formulate this connection via comonotonic relationship within a very small decrease in compression ratio and the performance. We have showcase the validity of this proposition with a canonical vision task in deep learning with three different model compression processes as {\it a baseline model}. We use the following, simpler to more complex model compression approaches: (1) random pruning,(2) magnitude pruning, and (3) a more complex compression by using dual tomographic compression, which utilizes compressed sensing in dual fashion which is introduced as a new method. We use remaining weights of deep learning network as a measurement vector where we measure the Gibbs entropy. We show case the idea that there is an inherent computable connection between compression probed by performance and randomness from an entropy measure on the learned model.
Authors: Alexander Kolpakov
Abstract: We develop a framework for dualizing the Kolmogorov structure function $h_x(\alpha)$, which then allows using computable complexity proxies. We establish a mathematical analogy between information-theoretic constructs and statistical mechanics, introducing a suitable partition function and free energy functional. We explicitly prove the Legendre-Fenchel duality between the structure function and free energy, showing detailed balance of the Metropolis kernel, and interpret acceptance probabilities as information-theoretic scattering amplitudes. A susceptibility-like variance of model complexity is shown to peak precisely at loss-complexity trade-offs interpreted as phase transitions. Practical experiments with linear and tree-based regression models verify these theoretical predictions, explicitly demonstrating the interplay between the model complexity, generalization, and overfitting threshold.
Authors: Navid Aftabi, Abhishek Hanchate, Satish Bukkapatnam, Dan Li
Abstract: Industry 4.0's highly networked Machine Tool Controllers (MTCs) are prime targets for replay attacks that use outdated sensor data to manipulate actuators. Dynamic watermarking can reveal such tampering, but current schemes assume linear-Gaussian dynamics and use constant watermark statistics, making them vulnerable to the time-varying, partly proprietary behavior of MTCs. We close this gap with DynaMark, a reinforcement learning framework that models dynamic watermarking as a Markov decision process (MDP). It learns an adaptive policy online that dynamically adapts the covariance of a zero-mean Gaussian watermark using available measurements and detector feedback, without needing system knowledge. DynaMark maximizes a unique reward function balancing control performance, energy consumption, and detection confidence dynamically. We develop a Bayesian belief updating mechanism for real-time detection confidence in linear systems. This approach, independent of specific system assumptions, underpins the MDP for systems with linear dynamics. On a Siemens Sinumerik 828D controller digital twin, DynaMark achieves a reduction in watermark energy by 70% while preserving the nominal trajectory, compared to constant variance baselines. It also maintains an average detection delay equivalent to one sampling interval. A physical stepper-motor testbed validates these findings, rapidly triggering alarms with less control performance decline and exceeding existing benchmarks.
Authors: Louis Berthier, Ahmed Shokry, Maxime Moreaud, Guillaume Ramelet, Eric Moulines
Abstract: This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and (iii) friendly data visualization. It relies on a PyTorch backend, enabling (i) fast and efficient training of SOMs through GPU acceleration, and (ii) easy and scalable integrations with PyTorch ecosystem. Moreover, torchsom follows the scikit-learn API for ease of use and extensibility. The library is released under the Apache 2.0 license with 90% test coverage, and its source code and documentation are available at https://github.com/michelin/TorchSOM.
Authors: Bodo Rosenhahn, Tobias J. Osborne, Christoph Hirche
Abstract: Translating a general quantum circuit on a specific hardware topology with a reduced set of available gates, also known as transpilation, comes with a substantial increase in the length of the equivalent circuit. Due to decoherence, the quality of the computational outcome can degrade seriously with increasing circuit length. Thus, there is major interest to reduce a transpiled quantum circuit to an equivalent circuit which is in its gate count as short as possible. This is, what we call quantum circuit reduction: Finding a quantum circuit with a reduced amount of gates without changing its unitary. One method to address efficient transpilation, e.g. as a post-transpilation process, is based on approaches known from stochastic optimization, e.g. by using random sampling and local resynthesis strategies. Here, a core challenge is that these methods can suffer from sampling efficiency, causing long and energy consuming optimization time. As a remedy, we propose in this work 2D neural guided sampling. Thus, given a 2D representation of a quantum circuit, a neural network predicts groups of gates in the quantum circuit, which are likely reducible. It leads to a sampling prior which can heavily reduce the compute time for quantum circuit reduction. In several experiments, we demonstrate that our method is superior to results obtained from different qiskit or BQSKit optimization levels.
Authors: Jean Barbier, Francesco Camilli, Minh-Toan Nguyen, Mauro Pastore, Rudy Skerk
Abstract: For four decades statistical physics has been providing a framework to analyse neural networks. A long-standing question remained on its capacity to tackle deep learning models capturing rich feature learning effects, thus going beyond the narrow networks or kernel methods analysed until now. We positively answer through the study of the supervised learning of a multi-layer perceptron. Importantly, (i) its width scales as the input dimension, making it more prone to feature learning than ultra wide networks, and more expressive than narrow ones or ones with fixed embedding layers; and (ii) we focus on the challenging interpolation regime where the number of trainable parameters and data are comparable, which forces the model to adapt to the task. We consider the matched teacher-student setting. Therefore, we provide the fundamental limits of learning random deep neural network targets and identify the sufficient statistics describing what is learnt by an optimally trained network as the data budget increases. A rich phenomenology emerges with various learning transitions. With enough data, optimal performance is attained through the model's "specialisation" towards the target, but it can be hard to reach for training algorithms which get attracted by sub-optimal solutions predicted by the theory. Specialisation occurs inhomogeneously across layers, propagating from shallow towards deep ones, but also across neurons in each layer. Furthermore, deeper targets are harder to learn. Despite its simplicity, the Bayes-optimal setting provides insights on how the depth, non-linearity and finite (proportional) width influence neural networks in the feature learning regime that are potentially relevant in much more general settings.
Authors: Rodrigo Carmo Terin
Abstract: We study neural reconstructions of quenched rainbow quantum electrodynamics (QED) Dyson--Schwinger benchmarks in Minkowski-related kinematics. Using the dispersive formulation as motivation, we separate the Euclidean Fukuda--Kugo equation, the spectral unitary equations, and the modified unitary equations. The Fukuda--Kugo benchmark is solved directly and shows the expected zero crossing above the critical region $\alpha_c=\pi/3$. Neural reconstructions with free output reproduce this behavior, while positivity-constrained ans\"atze fail in the supercritical regime. Thus, spectral positivity should be treated as a diagnostic of the Lehmann representation, not imposed blindly as a neural constraint.
Authors: Parsa Rangriz
Abstract: This paper studies the high-dimensional scaling limits of online stochastic gradient descent (SGD). Building on the work of Ben Arous, Gheissari, and Jagannath on the effective dynamics of SGD, we study the critical scaling regime of the step size for single-layer networks. Below this regime the effective dynamics are governed by deterministic (ballistic) limits, whereas at the critical scale a correction term emerges that changes the phase diagram. Near the fixed points of these dynamics, we show that the diffusive (SDE) limit of the rescaled correlation is an Ornstein-Uhlenbeck process. More precisely, it is mean-reverting whenever the information exponent is at least three. At information exponent two the drift has no universal sign, and the fixed point may become repelling; we show this explicitly for phase retrieval, where the sign is determined by the step size and the noise level. These results illustrate the limitations of deterministic scaling limits in capturing stochastic fluctuations in high-dimensional learning dynamics.
Authors: Joey Velez-Ginorio, Nada Amin, Konrad Kording, Steve Zdancewic
Abstract: Discrete structures are currently second-class in differentiable programming. Since functions over discrete structures lack overt derivatives, differentiable programs do not differentiate through them and limit where they can be used. For example, when programming a neural network, conditionals and iteration cannot be used everywhere; they can break the derivatives necessary for gradient-based learning to work. This limits the class of differentiable algorithms we can directly express, imposing restraints on how we build neural networks and differentiable programs more generally. However, these restraints are not fundamental. Recent work shows conditionals can be first-class, by compiling them into differentiable form as linear neurons. Similarly, this work shows iteration can be first-class -- by compiling to linear recurrent neurons. We present a minimal typed, higher-order and linear programming language with iteration called $\textsf{Cajal}\scriptstyle(\mathbb{\multimap}, \mathbb{2}, \mathbb{N})$. We prove its programs compile correctly to recurrent neurons, allowing discrete algorithms to be expressed in a differentiable form compatible with gradient-based learning. With our implementation, we conduct two experiments where we link these recurrent neurons against a neural network solving an iterative image transformation task. This determines part of its function prior to learning. As a result, the network learns faster and with greater data-efficiency relative to a neural network programmed without first-class iteration. A key lesson is that recurrent neurons enable a rich interplay between learning and the discrete structures of ordinary programming.
Authors: Guangming Liang, Mingjie Yang, Dongzhu Liu, Paul Henderson, Lajos Hanzo
Abstract: Accurate channel state information (CSI) underpins reliable and efficient wireless communication. However, acquiring CSI via pilot estimation incurs substantial overhead, especially in massive multiple-input multiple-output (MIMO) systems operating in high-Doppler environments. By leveraging the growing availability of environmental sensing data, this treatise investigates pilot-free channel inference that estimates complete CSI directly from multimodal observations, including camera images, LiDAR point clouds, and GPS coordinates. In contrast to prior studies that rely on predefined channel models, we develop a data-driven framework that formulates the sensing-to-channel mapping as a cross-modal flow matching problem. The framework fuses multimodal features into a latent distribution within the channel domain, and learns a velocity field that continuously transforms the latent distribution toward the channel distribution. To make this formulation tractable and efficient, we reformulate the problem as an equivalent conditional flow matching objective and incorporate a modality alignment loss, while adopting low-latency inference mechanisms to enable real-time CSI estimation. In experiments, we build a procedural data generator based on Sionna and Blender to support realistic modeling of sensing scenes and wireless propagation. System-level evaluations demonstrate significant improvements over pilot- and sensing-based benchmarks in both channel estimation accuracy and spectral efficiency for the downstream beamforming task. The source code is available at https://github.com/gm-leung/environment-aware-channel-inference.
URLs: https://github.com/gm-leung/environment-aware-channel-inference.
Authors: Ali Al Housseini, Cristina Rottondi, Sebastian Troia, Omran Ayoub
Abstract: Virtual Network Embedding (VNE) is a key enabler of network slicing, yet most formulations assume that each Virtual Network Request (VNR) has a fixed topology. Recently, VNE with Alternatives (VNEAP) was introduced to capture malleable VNRs, where each request can be instantiated using one of several functionally equivalent topologies that trade resources differently. This flexibility can improve embedding feasibility, but only if the orchestrator can jointly select suitable alternatives and embed them under dynamic arrivals. This paper proposes HRL-VNEAP, a hierarchical reinforcement learning approach for dynamic VNEAP. A high-level policy selects the most suitable alternative topology (or rejects the request), and a low-level policy embeds the chosen topology onto the substrate network. Experiments on realistic substrate topologies under varying arrival rates show that naive exploitation strategies provide only modest gains, whereas HRL-VNEAP outperforms state of the art approaches, improving acceptance ratio by up to 22%, and net profit by up to 20%. An offline MILP upper bound is also used on tractable instances to quantify the remaining optimality gap.
Authors: Boxuan Lyu, Haiyue Song, Hidetaka Kamigaito, Chenchen Ding, Hideki Tanaka, Masao Utiyama, Kotaro Funakoshi, Manabu Okumura
Abstract: Error Span Detection (ESD) extends automatic machine translation (MT) evaluation by localizing translation errors and labeling their severity. Current generative ESD methods typically use Maximum a Posteriori (MAP) decoding, assuming that the model-estimated probabilities are perfectly correlated with similarity to the human annotation, but we often observe higher likelihood assigned to an incorrect annotation than to the human one. We instead apply Minimum Bayes Risk (MBR) decoding to generative ESD. We use a sentence- or span-level similarity function for MBR decoding, which selects candidate hypotheses based on their approximate similarity to the human annotation. Experimental results on the WMT24 Metrics Shared Task show that MBR decoding significantly improves span-level performance and generally matches or outperforms MAP at the system and sentence levels. To reduce the computational cost of MBR decoding, we further distill its decisions into a model decoded via greedy search, removing the inference-time latency bottleneck.
Authors: Nick Jiang, Xiaoqing Sun, Lisa Dunlap, Lewis Smith, Neel Nanda
Abstract: Analyzing large-scale text corpora is a core challenge in machine learning, crucial for tasks like identifying undesirable model behaviors or biases in training data. Current methods often rely on costly LLM-based techniques (e.g. annotating dataset differences) or dense embedding models (e.g. for clustering), which lack control over the properties of interest. We propose using sparse autoencoders (SAEs) to create SAE embeddings: representations whose dimensions map to interpretable concepts. Through four data analysis tasks, we show that SAE embeddings are more cost-effective and reliable than LLMs and more controllable than dense embeddings. Using the large hypothesis space of SAEs, we can uncover insights such as (1) semantic differences between datasets and (2) unexpected concept correlations in documents. For instance, by comparing model responses, we find that Grok-4 clarifies ambiguities more often than nine other frontier models. Relative to LLMs, SAE embeddings uncover bigger differences at 2-8x lower cost and identify biases more reliably. Additionally, SAE embeddings are controllable: by filtering concepts, we can (3) cluster documents along axes of interest and (4) outperform dense embeddings on property-based retrieval. Using SAE embeddings, we study model behavior with two case studies: investigating how OpenAI model behavior has changed over time and finding "trigger" phrases learned by Tulu-3 (Lambert et al., 2024) from its training data. These results position SAEs as a versatile tool for unstructured data analysis and highlight the neglected importance of interpreting models through their data.
Authors: Louis Grenioux, Leonardo Galliano, Ludovic Berthier, Giulio Biroli, Marylou Gabri\'e
Abstract: Sampling configurations in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators address this problem by employing generative models to propose independent configurations, which are then reweighted via importance sampling using exact likelihood evaluations. Recent Boltzmann Generators based on continuous normalizing flows and flow matching have achieved significant success for particle systems and biomolecules. However, these approaches have not been extended to amorphous materials (glasses), for which equilibrium sampling is notoriously slow. Because of their disordered structure, the invariances and geometrical constraints of amorphous materials differ from those of crystals and biomolecules, preventing the direct use of existing generative models. Here, we develop Boltzmann Generators tailored to amorphous materials by building the required equivariances directly into Riemannian stochastic interpolants. Our framework incorporates periodic boundary conditions and particle symmetries using equivariant graph neural networks. Numerical experiments demonstrate that enforcing physical symmetries significantly improves the accuracy of Boltzmann Generators, but also reveal an intrinsic limitation of the continuous-flow formulation: accumulated numerical errors during likelihood integration break time-reversibility, compromising exact thermodynamic reweighting. These results reveal a fundamental challenge for continuous-flow generative models in statistical mechanics and call for alternative approaches that preserve exact thermodynamic consistency.
Authors: Jason Bohne, Ieva Petrulionyte, Michael Arbel, Julien Mairal, Pawe{\l} Polak
Abstract: Functional bilevel optimization (FBO) provides a powerful framework for hierarchical learning in function spaces, yet current methods are limited to static offline settings and perform suboptimally in online, non-stationary scenarios. We propose SmoothFBO, the first algorithm for non-stationary FBO with both theoretical guarantees and practical scalability. SmoothFBO introduces a time-smoothed stochastic hypergradient estimator that reduces variance through a window parameter, enabling stable outer-loop updates with sublinear regret. Importantly, the classical parametric bilevel case is a special reduction of our framework, making SmoothFBO a natural extension to online, non-stationary settings. Empirically, SmoothFBO consistently outperforms existing FBO methods in non-stationary hyperparameter optimization and model-based reinforcement learning, demonstrating its practical effectiveness. Together, these results establish SmoothFBO as a general, theoretically grounded, and practically viable foundation for bilevel optimization in online, non-stationary scenarios.
Authors: Zijie Xu, Zihan Huang, Yiting Dong, Kang Chen, Wenxuan Liu, Zhaofei Yu
Abstract: Spiking Neural Networks (SNNs) can achieve competitive performance by converting already existing well-trained Artificial Neural Networks (ANNs), avoiding further costly training. This property is particularly attractive in Reinforcement Learning (RL), where training through environment interaction is expensive and potentially unsafe. However, existing conversion methods perform poorly in continuous control, where suitable baselines are largely absent. We identify error amplification as the key cause: small action approximation errors become temporally correlated across decision steps, inducing cumulative state distribution shift and severe performance degradation. To address this issue, we propose Cross-Step Residual Potential Initialization (CRPI), a lightweight gradient-free mechanism that carries over residual membrane potentials across decision steps to suppress temporally correlated errors. Experiments on continuous control benchmarks with both vector and visual observations demonstrate that CRPI can be integrated into existing conversion pipelines and substantially recovers lost performance. Our results highlight continuous control as a critical and challenging benchmark for ANN-to-SNN conversion, where small errors can be strongly amplified and impact performance. Code is available at https://github.com/xuzijie32/ANN2SNN-CRPI.
Authors: Hao Dong, Eleni Chatzi, Olga Fink
Abstract: The pantograph-catenary interface is essential for ensuring uninterrupted and reliable power delivery in electrified rail systems. However, electrical arcing at this interface poses serious risks, including accelerated wear of contact components, degraded system performance, and potential service disruptions. Detecting arcing events at the pantograph-catenary interface is challenging due to their transient nature, noisy operating environment, data scarcity, and the difficulty of distinguishing arcs from other similar transient phenomena. To address these challenges, we propose a novel multimodal framework that combines high-resolution image data with force measurements to more accurately and robustly detect arcing events. First, we construct two arcing detection datasets comprising synchronized visual and force measurements. One dataset is built from data provided by the Swiss Federal Railways (SBB), and the other is derived from publicly available videos of arcing events in different railway systems and synthetic force data that mimic the characteristics observed in the real dataset. Leveraging these datasets, we propose MultiDeepSAD, an extension of the DeepSAD algorithm for multiple modalities with a new loss formulation. Additionally, we introduce tailored pseudo-anomaly generation techniques specific to each data type, such as synthetic arc-like artifacts in images and simulated force irregularities, to augment training data and improve the discriminative ability of the model. Through extensive experiments and ablation studies, we demonstrate that our framework significantly outperforms baseline approaches, exhibiting enhanced sensitivity to real arcing events even under domain shifts and limited availability of real arcing observations.
Authors: Shirui Chen, Cole Harrison, Ying-Chun Lee, Angela Jin Yang, Zhongzheng Ren, Lillian J. Ratliff, Jiafei Duan, Dieter Fox, Ranjay Krishna
Abstract: General-purpose robot learning requires dense, instruction-conditioned feedback that can distinguish meaningful task progress from stalled, failed, or partially completed behavior. Yet obtaining such feedback at scale remains difficult, since existing approaches often rely on manual progress annotations, task-specific demonstrations, or reward models trained on curated robot datasets. We introduce TOPReward, a training-free progress reward method that probes pretrained Video-Language Models (VLMs) through their internal token probabilities rather than asking them to generate numerical progress values. Given a video prefix and a language instruction, TOPReward measures the model's likelihood that the instructed task has been completed, converting latent video-language understanding into a dense reward signal without task-specific reward-model training or manually annotated progress labels. We evaluate TOPReward on ManiRewardBench, our real-world manipulation benchmark spanning 130 unique tasks and four robot platforms, as well as on Open X-Embodiment datasets. Across these settings, TOPReward substantially outperforms prior training-free VLM reward methods on open-source models and is competitive with a trained reward-model baseline on progress-estimation metrics, while requiring no reward-model training. Additional analyses show that the reward is sensitive to the specified instruction and is not explained by time index alone. Finally, TOPReward supports downstream applications including success detection and offline reward-weighted behavior cloning.
Authors: Pengfei Zhang, Tianxin Xie, Minghao Yang, Li Liu
Abstract: REPresentation Alignment (REPA) improves the training of generative flow models by aligning intermediate hidden states with pretrained teacher features, but its effectiveness in token-conditioned audio Flow Matching critically depends on the choice of supervised layers, which is typically made heuristically based on the depth. In this work, we introduce Attribution-Guided REPresentation Alignment (AG-REPA), a novel causal layer selection strategy for representation alignment in audio Flow Matching. Firstly, we find that layers that best store semantic/acoustic information (high teacher-space similarity) are not necessarily the layers that contribute most to the velocity field that drives generation, and we call it Store-Contribute Dissociation (SCD). To turn this insight into an actionable training guidance, we propose a forward-only gate ablation (FoG-A) that quantifies each layer's causal contribution via the induced change in the predicted velocity field, enabling sparse layer selection and adaptive weighting for alignment. Across unified speech and general-audio training (LibriSpeech + AudioSet) under different token-conditioning topologies, AG-REPA consistently outperforms REPA baselines. Overall, our results show that alignment is most effective when applied to the causally dominant layers that drive the velocity field, rather than to layers that are representationally rich but functionally passive.
Authors: Yuheng Lei, Zhixuan Liang, Hongyuan Zhang, Ping Luo
Abstract: Imitation learning from human demonstrations has achieved significant success in robotic control, yet most visuomotor policies still condition on single-step observations or short-context histories, making them struggle with non-Markovian tasks that require long-term memory. Simply enlarging the context window incurs substantial computational and memory costs and encourages overfitting to spurious correlations, leading to catastrophic failures under distribution shift and violating real-time constraints in robotic systems. By contrast, humans can compress important past experiences into long-term memories and exploit them to solve tasks throughout their lifetime. In this paper, we propose VPWEM, a non-Markovian visuomotor policy equipped with working and episodic memories. VPWEM retains a sliding window of recent observation embeddings as short-term working memory, and introduces a Transformer-based contextual memory compressor that recursively converts out-of-window observations into a fixed number of episodic memory embeddings. The compressor uses self-attention over a cache of past summary embeddings and cross-attention over a cache of historical observations, and is trained jointly with the policy. We instantiate VPWEM on diffusion policies to exploit both short-term and episode-wide information for action generation with nearly constant memory and computation per step. Experiments demonstrate that VPWEM outperforms state-of-the-art baselines including diffusion policies and vision-language-action (VLA) models by more than 20\% on the memory-intensive manipulation tasks in MIKASA and achieves an average 5\% improvement on the mobile manipulation benchmark MoMaRT. Code is available at https://github.com/HarryLui98/code_vpwem.
Authors: Chi Zhang, Xixi Hu, Bo Liu, Qiang Liu
Abstract: The slow, sequential nature of autoregressive (AR) language models has driven the adoption of parallel decoding methods. However, these non-AR models often sacrifice generation quality as they struggle to model the complex joint distribution of token sequences. To narrow this performance gap, we introduce Gumbel Distillation, a novel distillation technique that enables parallel decoders to learn this distribution effectively. Our method leverages the Gumbel-Max trick to create a deterministic mapping from a latent Gumbel noise space to the output tokens of a high-performing AR teacher. As a model-agnostic technique, Gumbel Distillation seamlessly integrates with diverse parallel decoding architectures, including MDLM and BD3-LM. Experiments on LM1B and OpenWebText show that Gumbel Distillation substantially improves the generation quality of parallel language models, achieving a 30.0% improvement in MAUVE score and 10.5% in generative perplexity over MDLM trained on OpenWebText dataset. Code available at https://github.com/hxixixh/gumbel-distill.
Authors: Hanqi Xiao, Vaidehi Patil, Zaid Khan, Hyunji Lee, Elias Stengel-Eskin, Mohit Bansal
Abstract: As large language models (LLMs) become the engine behind conversational systems, their ability to reason about the intentions and states of their dialogue partners (i.e., form and use a theory-of-mind, or ToM) becomes increasingly critical for safe interaction with potentially adversarial partners. We propose a novel privacy-themed ToM challenge, ToM for Steering Beliefs (ToM-SB), in which a defender must act as a Double Agent to steer the beliefs of an attacker with partial prior knowledge within a shared universe. To succeed on ToM-SB, the defender must engage with and form a ToM of the attacker, with a goal of fooling the attacker into believing they have succeeded in extracting sensitive information. We find that strong frontier models like Gemini3-Pro and GPT-5.4 struggle on ToM-SB, often failing to fool attackers in hard scenarios with partial attacker prior knowledge, even when prompted to reason about the attacker's beliefs (ToM prompting). To close this gap, we train models on ToM-SB to act as AI Double Agents using reinforcement learning, testing both fooling and ToM rewards. Notably, we find a bidirectionally emergent relationship between ToM and attacker-fooling: rewarding fooling success alone improves ToM, and rewarding ToM alone improves fooling. Across four attackers with different strengths, six defender methods, and both in-distribution and out-of-distribution (OOD) evaluation, we find that gains in ToM and attacker-fooling are well-correlated, highlighting belief modeling as a key driver of success on ToM-SB. AI Double Agents that combine both ToM and fooling rewards yield the strongest fooling and ToM performance, outperforming Gemini3-Pro and GPT-5.4 with ToM prompting on hard scenarios. We also show that ToM-SB and AI Double Agents can be extended to stronger attackers, demonstrating generalization to OOD settings and the upgradability of our task.
Authors: Yixiao Lin, James Booth
Abstract: Most fairness-aware learning methods assume that sensitive attributes are observed, an assumption that may fail due to privacy, legal, or data-collection constraints. We develop a framework for fairness-aware generalized linear models when the sensitive attribute is latent, possibly multi-category, and the predictors may be high-dimensional. Candidate proxy variables are modeled using Gaussian mixtures for continuous predictors and product-multinomial mixtures for categorical predictors. The resulting posterior group-membership probabilities are used to residualize the predictors and reduce their association with the latent sensitive structure. For continuous outcomes, we use constrained least squares to limit the contribution of the estimated sensitive attribute to prediction variability. For binary outcomes, we use penalized logistic regression to reduce dependence between predicted probabilities and estimated group membership. In high-dimensional settings, the procedure is combined with SEMMS variable selection to obtain sparse models. We establish identifiability and latent-class recovery results for Gaussian and categorical mixtures and derive expressions that quantify the loss of predictive power after residualization.Simulations and real-data applications demonstrate favorable accuracy-fairness performance.
Authors: Michael A. Riegler, Inga Str\"umke
Abstract: We present swarm-attack, an open-source adversarial testing framework in which multiple lightweight LLM agents coordinate through shared memory, parallel exploration, and evolutionary optimization. Together, our results demonstrate that both safety bypass of frontier models and software vulnerability discovery, i.e., the capability class that motivated restricted release of Anthropic's Mythos Preview, are achievable at effectively zero cost using commodity hardware and openly available models. We report two experiments. In the first, five instances of a 1.2 billion parameter model conducted 225 jailbreak attacks each against GPT-4o and Claude Sonnet~4. Against GPT-4o, the swarm achieved an Effective Harm Rate of 45.8%, producing 49 critical-severity breaches; against Claude Sonnet-4, the Effective Harm Rate was 0% despite a 40% technical success rate. In the second experiment, the same models performed combined source code analysis and binary fuzzing against a vulnerable C application with 9 planted CWEs. With a hand-crafted exploit seed corpus, regex pattern detection, and AddressSanitizer-based crash classification, the pipeline recovers 9 of 9 vulnerabilities (100% recall) in approximately four minutes on a consumer MacBook. With those scaffold components disabled, the same model recovers 0 of 9 by crash verification and 2 of 9 by citation. The capability class that motivated restricted release of Anthropic's Mythos Preview is therefore reproducible at effectively zero cost; the important enabler is the system scaffold itself, which compensates for the limited reasoning capacity of small individual models.
Authors: Samuel Koovely, Alexandre Bovet
Abstract: Diffusion-based information-theoretic approaches provide new theoretical and practical tools to study complex networks. So far, they have not been generalized to temporal networks. In this work, we show that common entropic measures based on modeling diffusion on graphs, such as the entropy rate and the spectral entropy, do not generalize straightforwardly to temporal networks due to the process's non-stationarity and temporal asymmetries. Instead, we propose the conditional entropy of heat diffusion as an entropic measure for continuous-time temporal networks and study its properties. We show that this quantity is monotone in time, yielding an information-theoretic analog of the second law of thermodynamics for inhomogeneous diffusion on temporal networks. We provide an upper bound and suggest a lower bound on its evolution and explain how discrepancies from it arise due to asymmetric temporal paths. We then introduce a local version of conditional entropy, designed to probe diffusion over finite temporal windows, and show that it provides an informative signal for change-point detection in continuous-time temporal networks. We evaluate the proposed methodology on synthetic benchmarks, including comparative experiments with existing nonparametric baselines in the snapshot setting, and then apply it to a real-world temporal contact network. Finally, we show how to use detected change points to guide community detection on targeted sub-intervals, improving the quality and interpretability of the clustering results.
Authors: Mohamed Boussena, Florence Monville, Jacques Fieschi-Meric, Frederic Vely, Pierre Milpied, Julien Mazieres, Maurice Perol, Eric Vivier, Laurent Greillier, Fabrice Barlesi, Sebastien Benzekry
Abstract: Integrating multimodal datasets in clinical oncology is frequently hindered by high dimensionality and blockwise missingness, where entire data sources are unavailable for specific patient subsets. Standard survival models often struggle with these gaps, leading to biased results or patient exclusion. We introduce Multimodality Stacking with Blockwise missing values (MSB), a late-fusion framework for survival analysis that independently models modality-specific features before aggregating predictions via a cross-validated stacking meta-learner. MSB was validated on the PIONeeR study (n=443 patients, 378 biomarkers across eight heterogeneous sources) to predict progression-free survival in advanced non-small cell lung cancer patients receiving immunotherapy. MSB yielded higher predictive performance (C-index) than baseline algorithms. Improvements varied by baseline strength: linear models showed a 15.9% increase (p<0.001 for the Wilcoxon signed-rank test), random survival forests gained 5.4% (p=0.002), and gradient boosting methods improved by 2.1% (p=0.030). Beyond discrimination, MSB reduced the generalization gap (train-test difference in 5 folds cross-validation repeated 3 times: 0.055 vs 0.380 for linear models). Permutation importance analysis identified routine laboratory markers, clinical features, and PD-L1 expression as primary predictive drivers. Missing block indicators showed negligible importance, suggesting the model learned from biomarker values rather than data availability patterns. MSB provides a statistically validated framework for multimodal survival prediction with blockwise missingness. By enabling systematic biomarker evaluation without requiring complete data, MSB offers a practical tool for predictive modeling in biomedical research, pending external validation. Implementation is available at https://github.com/MohamedBoussena/MSB under Inria license.
Authors: Michael Astwood
Abstract: We introduce Lie groupoid equivariant neural networks as a specialization of recently proposed topological category-equivariant neural networks to the differentiable setting. Lie groupoid equivariant neural networks are composed from Lie groupoid lifting convolutions and Lie groupoid convolution layers, and we show how for suitable Lie groupoids they are equivalent to certain Lie algebroid-equivariant neural networks. We additionally describe groupoid invariant global pooling as a generalization of group invariant global pooling. Furthermore, we show that each of the aforementioned layers is a special case of recently introduced admissible category-equivariant layers by demonstrating that they define continuous natural transformations between continuous feature functors.
Authors: Dong Liu, Yanxuan Yu, Ben Lengerich, Tong Geng, Ying Nian Wu
Abstract: Wearable exoskeleton systems hold promise for restoring mobility in individuals with physical impairments, yet most existing controllers rely on static gait policies that cannot adapt to dynamic real-world environments or individual user characteristics. We present OLIVE (Online Low-rank Incremental Learning for Efficient Adaptive Exoskeletons), a parameter-efficient online adaptation framework that continuously personalizes exoskeleton control during deployment. OLIVE decomposes the adaptive component of the control policy into a low-rank residual form $\Delta W = A_t B_t^\top$ with rank $r \ll \min(d,k)$, reducing the online update cost from $\mathcal{O}(dk)$ to $\mathcal{O}(r(d+k))$ while preserving the stability of a pretrained base controller $W_0$. Parameters are updated through a reward-shaped policy gradient driven purely by on-body sensor feedback, including EMG, IMU, and vibration signals, eliminating dependence on offline reference trajectories. A gating mechanism modulates the strength of personalization based on the contextual state, while a dynamic rank scheduler adapts the update dimensionality to terrain complexity. It allocates minimal capacity on simple flat terrain and expands to higher-rank updates on demanding uneven surfaces, enabling robust performance across flat walking, stair navigation, slopes, and uneven terrain. Experiments on the wearable platform demonstrate that OLIVE achieves improvements of 13, 22, and 15 percentage points in gait smoothness, effort reduction, and motion stability over the strongest baseline, respectively. It converges within approximately 1,800 walking steps with an end-to-end latency of 7.4 ms. Our code implementation is available at https://github.com/FastLM/OLIVE.
Authors: Yash Vardhan Tomar, Dheeraj Peddireddy
Abstract: Quantum circuit routing is a key step in compiling programs for noisy intermediate-scale quantum processors, particularly superconducting devices whose sparse fixed coupling makes routing a central compilation cost. Routes that appear efficient by standard overhead metrics such as SWAP count, routed two-qubit count, and depth can still lose fidelity when they pass through poorly calibrated couplers. We study a calibration-aware graph reinforcement-learning router that uses same-day calibration data from superconducting IBM Heron r2 processors to choose hardware-edge SWAPs. We train the policy with proximal policy optimization and evaluate it with exact simulated fidelity across nine Munich Quantum Toolkit (MQT) Bench circuits and three calibration snapshots. Across these evaluations, pooled mean exact fidelity is 0.727, compared with 0.440 for SWAP-based bidirectional heuristic search (SABRE)-best20 and 0.481 for target-aware SABRE. We observe that fidelity gains come with higher routed two-qubit counts and are concentrated in 5 qubit and 8 qubit circuit families; under the fixed tree action graph, all 10 qubit families favor SABRE-best20. Overall, our results show that calibration-aware learned routing can improve fidelity beyond gate-count-driven compilation, by roughly 0.25 to 0.29 in absolute mean fidelity over the SABRE-family baselines.
Authors: Baimam Boukar Jean Jacques, Brandone Fonya, Nchofon Tagha Ghogomu, Pauline Nyaboe, Kipngeno Koech
Abstract: The development of generalizable electroencephalography (EEG) decoding models is essential for robust brain-computer interfaces (BCI) and objective neural biomarkers in mental health. Conventional approaches have been hindered by poor cross-subject and cross-task generalization, owing to high inter-subject variability and non-stationary neural signals. We address this challenge with a zero-shot cross-subject decoding framework on the large-scale Healthy Brain Network dataset, benchmarking a convolutional neural network baseline, a hybrid LSTM, and a Transformer-based foundation model. To adapt the Transformer for regression while averting catastrophic forgetting, we propose a novel progressive unfreezing strategy. The baseline yielded an nRMSE of 0.9991, whereas our fine-tuned Transformer achieved 0.9799 on unseen subjects. This work advances scalable, calibration-free EEG decoding for computational psychiatry and behavioral prediction.
Authors: Romain Th\'er\'ezien, Stephan Cl\'emen\c{c}on, Fantin Girard, Hamza El-Abdouni
Abstract: Quantile regression provides a powerful tool for summarizing the conditional distribution of a real-valued random variable (r.v.) of interest $Y$ as a function of covariates $Z$ in cases where it shows a large dispersion with high probability, going beyond the situation where standard least square regression is informative/predictive. This article aims to extend this methodology to the pairwise setting, where the variable to be explained is a similarity score between two independent observations (e.g., pixelated ID photos used as input to biometric systems), and the explanatory variables consist of the pair of covariates attached to these observations, such as age or hair color. We establish theoretical guarantees for solutions of this statistical learning problem, considered here as empirical minimizers of a pairwise version of the pinball loss. Leveraging sharp concentration results for $U$-processes, we prove generalization bounds and identify mild conditions under which fast learning rates can be achieved. Confirming the probabilistic analysis, experiments based on simulation data also provide solid empirical evidence of the validity of the methodology promoted here for pairwise quantile regression. Finally, its usefulness from an application perspective is demonstrated by a detailed study aimed at analyzing errors in similarity scoring for facial recognition.
Authors: Kisung You
Abstract: Weighted empirical measures on compact manifolds appear in importance sampling, particle approximations, posterior summaries, quadrature, and representation learning. Ordinary effective sample size and related weight summaries ignore the geometry of the support. We introduce heat-kernel entropy profiles to measure nonuniformity after intrinsic diffusion at a range of scales. For order-two R\'enyi entropy, pairwise heat-kernel overlaps give an exact profile and a geometric effective sample size. This effective sample size discounts nearby or duplicate particles. It approaches ordinary effective sample size as overlaps between distinct particles vanish. On compact boundaryless manifolds, we establish profile monotonicity, gESS scale limits, deterministic-weight consistency, and a bounded-ratio result for self-normalized importance sampling. On spheres, the unlogged profile decomposes into spherical-harmonic energies. The first terms are squared mean-resultant and traceless-second-moment energies, which give vMF- and Bingham-type scalar summaries. Experiments identify antipodal, girdle, multimodal, and duplicate-particle structures that weight-only and first-moment summaries miss.
Authors: Soofi-Team, :, Benedikt Droste, David Fitzek, Ruben H\"arle, Lukas Helff, Maximilian Idahl, Alex Jude, Abbas Goher Khan, Maurice Kraus, Timm Ruland, Richard Rutmann, Sebastian Sztwiertnia, Markus Frey, Daniil Gurgurov, Jan Pfister, Tom R\"ohr, Sebastian von Rohrscheidt, J\"org Bienert, Nicolas Flores-Herr, Simon Gottschalk, Andreas Hotho, Kristian Kersting, Joachim K\"ohler, Alexander L\"oser, Wolfgang Nejdl, Simon Ostermann, Jan Plogsties, Bj\"orn Pl\"uster, Patrick Putzky, Mehdi Ali, Michael Fromm, Max L\"ubbering
Abstract: We present Soofi S 30B-A3B, a sovereign, open-source Mixture-of-Experts (MoE) hybrid Mamba Transformer foundation model for German and English. Its hybrid design activates only 3B of 30B parameters per token and keeps the inference cache near-constant as context grows, giving it a decisive throughput advantage over dense models for long-context, high-concurrency deployment. Pretrained on roughly 27 trillion tokens with deliberately up-weighted German, Soofi S matches dense 14 to 27B models on aggregate English and German benchmarks while achieving the best code aggregates in both languages among 17 open base models, and outperforms every European sovereign baseline in our comparison, including ones far larger in active parameters. Among fully open models, Soofi S obtains the highest English and German evaluation scores, ahead of Olmo 3 32B and Apertus 70B. Soofi S was built end-to-end on the German Industrial AI Cloud, a sovereign HPC scale AI infrastructure operated by Deutsche Telekom in Munich. Soofi S will be released under highly permissive, open-access terms: weights, selected intermediate checkpoints, full per-source data accounting, hyperparameters, and training and evaluation code. Where source licenses permit, data-construction artifacts are released under permissive licenses; commercially licensed sources are documented with aggregate statistics and exact mixture accounting.
Authors: Renuka Oladri, Mohan Vamsi Varadaraju Priya, Jerry Wu
Abstract: We show that post-training quantization can silently alter how large language models reason even when task accuracy is preserved. Using a six-category failure taxonomy validated by two independent human annotators (Cohen's $\kappa$ = 0.906), we classify 30,000 chain-of-thought outputs from five instruction-tuned LLMs (3B--14B parameters) across three quantization precisions (FP32, FP16, NF4) and four reasoning benchmarks. We find that while accuracy is robust across precisions (maximum 3.1 pp drop), Hollow Convergence (correct answers reached through incomplete or unverifiable reasoning) shows a significant size-dependent shift under NF4, dropping sharply for the two smallest models tested but remaining invariant for models at 12B parameters and above. This effect is also benchmark-specific: GSM8K is categorically immune while LogiQA and ARC-Challenge show the largest shifts. Furthermore, under NF4, Shortcut Collapse rises from 44% to 78% of wrong-answer failures in LLaMA 3.2-3B while Confidence Snowballing collapses from 15.8% to near zero, a qualitative shift invisible to accuracy metrics. Finally, we show Hollow Convergence cannot be reliably detected from surface-level text features (best F1 = 0.53), establishing it as a deployment-relevant failure mode that standard evaluation pipelines cannot catch.
Authors: Manuel Fernandez V, Yizhe Zhu
Abstract: We study sparse threshold random geometric graphs generated by high-dimensional spherical or Gaussian latent vectors. Although each edge has marginal probability $p$, shared latent variables make the adjacency entries dependent. At the connectivity scale $np=\Omega(\log n)$, the spherical adjacency matrix satisfies, with high probability,$\|A-\mathbb E A\|_{\mathrm{op}}=O\left(\sqrt{np\log n}+np\tau\right)$, where $\tau$ is the cap threshold; an analogous estimate holds for Gaussian vectors after controlling radial fluctuations. This sharpens the spectral bound in Liu, Mohanty, Schramm, and Yang (2023) under weaker assumptions and strengthens the global-synchronization guarantee of Abdalla, Bandeira, and Invernizzi (2024) for the homogeneous Kuramoto model. The leading eigenspace also estimates the latent geometry. When $np\gg\log n$, vector and relative Gram-matrix errors vanish for$\log(1/p)\ll d\ll np\log(1/p)/\log n$ in the spherical model and $\log^2(1/p)\log n\ll d\ll np\log(1/p)/\log n$ in the Gaussian model, improving the recovery conditions of Li and Schramm (2023). For the Gaussian mixture block model introduced there, a polynomial-time semidefinite program gives, to our knowledge, the first exact-recovery guarantee at the connectivity scale in a moderate-separation regime. At much larger separation, fixed edge density creates isolated vertices and makes exact recovery impossible. Our reusable decoupling and matrix concentration framework avoids trace-moment methods and applies broadly to random graph models with latent vectors.
Authors: Jinyuan Deng, Zhengrui Chen, Xufeng Wei, Tianyu Xing, Chenyi Wen, Qi Sun, Cheng Zhuo
Abstract: Large language model (LLM) agents are extending electronic design automation (EDA) beyond static RTL generation toward long-horizon, tool-interactive workflows. Yet it remains unclear whether general-purpose coding agents, even with domain-specific EDA skills, can reliably execute an end-to-end RTL-to-GDS flow encompassing synthesis, physical implementation, and engineering change order (ECO) optimization. We evaluate AI agents on a PicoRV32 RTL-to-GDS flow using commercial EDA tools under two timing targets. Their performance is assessed using end-to-end design score, stage completion, and Token ROI, a cost-efficiency metric relating design quality to runtime and cost. Comparing three agent architectures and four foundation models, we derive three practical lessons. First, domain-specific skills improve agents' understanding of individual subtasks but do not ensure reliable completion of a long-horizon EDA flow. Second, agents that achieve similar design progress can still differ by up to 141 times in Token ROI, revealing substantial differences in runtime and cost efficiency. Third, low-level tool-interface mismatches are a major source of physical design failures, particularly when Tcl commands depend on the tool version or execution mode. These results suggest that robust Agentic EDA requires not only stronger models but also structured tool interfaces, persistent design context, controlled execution, and process-level evaluation.
Authors: Igor Douven
Abstract: The wisdom of crowds -- the finding that aggregating judgments across individuals often outperforms the best individual -- has been extensively studied with human forecasters. Whether the same phenomenon emerges when the ``crowd'' consists of large language models (LLMs) is an open question with both theoretical and practical implications. We elicited probability estimates from 15 LLMs on 254 binary prediction market questions and evaluated classical and learned aggregation methods. Learned aggregators -- a multilayer perceptron and a logistic regression -- outperformed all individual models and classical methods. The logistic regression was found to match the neural network, suggesting that the benefit of learned aggregation derives from learning a linear combination of diverse model outputs rather than from nonlinear interactions. Symbolic regression applied to the neural network's learned mapping recovered a pure model-disagreement signal as the lowest-complexity useful formula on the Pareto frontier, further supporting this interpretation. Training cutoff contamination proved a pervasive confound: the apparent capability gap between frontier cloud models and smaller local models collapsed from 35.8% to 8.9% on a clean subset of questions resolving after all models' training cutoffs, and individual model rankings showed only moderate stability. Even when the prediction market is evaluated at each model's training cutoff, LLMs remained substantially less accurate, indicating a genuine gap in collective information aggregation. These findings suggest that LLM crowds can exhibit wisdom-of-crowds effects, but that contamination-free evaluation is essential for reliable assessment.
Authors: Nived Rajaraman
Abstract: We establish a $\widetilde\Omega(d^{5/4}\sqrt T)$ lower bound on the minimax expected regret of stochastic bandit convex optimization of $1$-Lipschitz functions on the Euclidean ball. This presents the first nontrivial regret lower bound that grows faster than $d\sqrt{T}$ for this problem, establishing that stochastic bandit convex optimization is fundamentally harder than linear bandits. The hard class of convex functions we construct takes the following form in dimension $2d$: for an action $a = (a^1,a^2) \in \mathbb{B}^{2d}_2$, each function is the scaled soft maximum of a "tube", $r^{-1} \| W^\star a^1 - \frac{r}{8\varepsilon} a^2 \|_2$ (hyperparameterized by $\varepsilon,r$), and a squared distance function, $\frac12 \| a^1 - u^\star \|_2^2 - \frac12 \| u^\star \|_2^2$. Here, $W^\star \in \mathbb{R}^{d \times d}$ is an unknown linear transformation, and $u^\star \in \mathbb{R}^{d}$ is an unknown vector which must be learned to minimize the function. Observations are informative about $u^\star$ only when the learner's action lies near the tube determined by $W^\star$, satisfying $a^2 \approx \frac{8\varepsilon}{r} W^\star a^1$: thus the learner must either find this tube without knowing $W^\star$, or spend observations learning useful directions of $W^\star$. Formally, our regret analysis exploits this tradeoff by bounding the posterior spread of Fisher information matrices obtained under an adaptive sequence of actions. Together, these ingredients give a sample complexity lower bound of $\widetilde{\Omega}(d^{5/2}/\varepsilon^2)$ to find an $\varepsilon$-optimal action, which translates to an $\widetilde{\Omega} (d^{5/4} \sqrt{T})$ regret lower bound. We also extend this lower bound to the unconstrained setting where the action space is $\mathbb{R}^d$.
Authors: Juscimara G. Avelino, Juscelino S. A. Junior, George D. C. Cavalcanti, Rafael M. O. Cruz
Abstract: Cross-Project Defect Prediction (CPDP) involves building models using data from external projects, called training projects, to predict modules from the target project. However, traditional CPDP methods suffer from the distribution shift between training and target projects that affects the model's performance. This paper proposes a novel CPDP framework that addresses this issue by proposing a two-stage multiple classifier system (MCS) selection scheme: one working at the project level and another at the module level. In the first stage, the framework evaluates multiple possible MCS configurations to find one that covers and generalizes well across multiple training projects. Consequently, the proposal is likely to obtain a diverse set of classifiers, each specialized in tackling software modules with distinct characteristics. The second selection stage operates at test time, selecting the most competent classifiers to predict each new module in the target project. Unlike previous approaches that apply the same classifiers to the entire target project, the proposed framework performs module-level model selection. This way, the system is more robust to changes in distributions between training and target projects because the selected set of classifiers is module-dependent. Our experimental results using 82 projects from four different CPDP benchmark datasets demonstrate that the proposed approach outperforms the state-of-the-art CPDP methods in most scenarios. The code, dataset, and further details about the proposed method are publicly available at https://github.com/jsaj/Multi_DES.
Authors: Tianyu Li, Zhiwei Cao, Qingang Zhang, Ruihang Wang, Binyang Song, Yonggang Wen
Abstract: Neural surrogates are widely used in scientific machine learning for fast prediction of three-dimensional (3D) thermo-fluid fields. However, generating training data using conventional numerical solvers often incurs substantial computational and storage costs. We propose to train an attention graph neural network by minimizing the finite-volume method (FVM) residuals of the governing equations. These residuals are evaluated directly on the mesh, requiring no labeled data. We evaluate the trained surrogates against computational fluid dynamics (CFD) references and a data-supervised baseline across four scenarios. On the two steady-state benchmarks, the FVM-loss model achieves an all-field normalized root-mean-square error (nRMSE) of 2.3-2.8%. It demonstrates close agreement with the CFD references, including the buoyancy-energy coupling. On the two parametric transient cases, the FVM-loss model outperforms the supervised baseline in terms of accuracy, while avoiding the data-generation cost entirely. These results indicate that the FVM loss can provide a practical training signal for neural surrogates and reduce the model development cost.